diff --git a/CADET-Match/master/.buildinfo b/CADET-Match/master/.buildinfo
index 5f1019178..1a12368a5 100644
--- a/CADET-Match/master/.buildinfo
+++ b/CADET-Match/master/.buildinfo
@@ -1,4 +1,4 @@
 # Sphinx build info version 1
 # This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done.
-config: 34925f7fb84d135c4968066bf8fbc764
+config: 2102452481e158f22cf05e889b3e6443
 tags: 645f666f9bcd5a90fca523b33c5a78b7
diff --git a/CADET-Match/master/.doctrees/cli/examples.doctree b/CADET-Match/master/.doctrees/cli/examples.doctree
index 46bd96163..d96829575 100644
Binary files a/CADET-Match/master/.doctrees/cli/examples.doctree and b/CADET-Match/master/.doctrees/cli/examples.doctree differ
diff --git a/CADET-Match/master/.doctrees/cli/index.doctree b/CADET-Match/master/.doctrees/cli/index.doctree
index 5c25fddd8..7215bf730 100644
Binary files a/CADET-Match/master/.doctrees/cli/index.doctree and b/CADET-Match/master/.doctrees/cli/index.doctree differ
diff --git a/CADET-Match/master/.doctrees/configuration/basic_config.doctree b/CADET-Match/master/.doctrees/configuration/basic_config.doctree
index 51813cf9b..e1cc8c452 100644
Binary files a/CADET-Match/master/.doctrees/configuration/basic_config.doctree and b/CADET-Match/master/.doctrees/configuration/basic_config.doctree differ
diff --git a/CADET-Match/master/.doctrees/configuration/error.doctree b/CADET-Match/master/.doctrees/configuration/error.doctree
index 53ac4c583..ecf494778 100644
Binary files a/CADET-Match/master/.doctrees/configuration/error.doctree and b/CADET-Match/master/.doctrees/configuration/error.doctree differ
diff --git a/CADET-Match/master/.doctrees/configuration/experiments.doctree b/CADET-Match/master/.doctrees/configuration/experiments.doctree
index 7d8f2fba6..35288afeb 100644
Binary files a/CADET-Match/master/.doctrees/configuration/experiments.doctree and b/CADET-Match/master/.doctrees/configuration/experiments.doctree differ
diff --git a/CADET-Match/master/.doctrees/configuration/graphing.doctree b/CADET-Match/master/.doctrees/configuration/graphing.doctree
index 40d4c5834..f504b66f5 100644
Binary files a/CADET-Match/master/.doctrees/configuration/graphing.doctree and b/CADET-Match/master/.doctrees/configuration/graphing.doctree differ
diff --git a/CADET-Match/master/.doctrees/configuration/index.doctree b/CADET-Match/master/.doctrees/configuration/index.doctree
index e9ed38e13..2a9c4b3f3 100644
Binary files a/CADET-Match/master/.doctrees/configuration/index.doctree and b/CADET-Match/master/.doctrees/configuration/index.doctree differ
diff --git a/CADET-Match/master/.doctrees/configuration/misc.doctree b/CADET-Match/master/.doctrees/configuration/misc.doctree
index f6f43a22a..4553a29d2 100644
Binary files a/CADET-Match/master/.doctrees/configuration/misc.doctree and b/CADET-Match/master/.doctrees/configuration/misc.doctree differ
diff --git a/CADET-Match/master/.doctrees/configuration/scores.doctree b/CADET-Match/master/.doctrees/configuration/scores.doctree
index a6c2a94dd..2a20e8593 100644
Binary files a/CADET-Match/master/.doctrees/configuration/scores.doctree and b/CADET-Match/master/.doctrees/configuration/scores.doctree differ
diff --git a/CADET-Match/master/.doctrees/configuration/search.doctree b/CADET-Match/master/.doctrees/configuration/search.doctree
index 127fae0e7..63ebbe84a 100644
Binary files a/CADET-Match/master/.doctrees/configuration/search.doctree and b/CADET-Match/master/.doctrees/configuration/search.doctree differ
diff --git a/CADET-Match/master/.doctrees/configuration/transform.doctree b/CADET-Match/master/.doctrees/configuration/transform.doctree
index 78218f6ed..0892e83c6 100644
Binary files a/CADET-Match/master/.doctrees/configuration/transform.doctree and b/CADET-Match/master/.doctrees/configuration/transform.doctree differ
diff --git a/CADET-Match/master/.doctrees/environment.pickle b/CADET-Match/master/.doctrees/environment.pickle
index 29257ac58..a7b3a3983 100644
Binary files a/CADET-Match/master/.doctrees/environment.pickle and b/CADET-Match/master/.doctrees/environment.pickle differ
diff --git a/CADET-Match/master/.doctrees/index.doctree b/CADET-Match/master/.doctrees/index.doctree
index 503e2fb12..c92b22a11 100644
Binary files a/CADET-Match/master/.doctrees/index.doctree and b/CADET-Match/master/.doctrees/index.doctree differ
diff --git a/CADET-Match/master/.doctrees/install/index.doctree b/CADET-Match/master/.doctrees/install/index.doctree
index 1dc5a916a..14c48221b 100644
Binary files a/CADET-Match/master/.doctrees/install/index.doctree and b/CADET-Match/master/.doctrees/install/index.doctree differ
diff --git a/CADET-Match/master/.doctrees/license.doctree b/CADET-Match/master/.doctrees/license.doctree
index eeb4f5651..3c0129bd4 100644
Binary files a/CADET-Match/master/.doctrees/license.doctree and b/CADET-Match/master/.doctrees/license.doctree differ
diff --git a/CADET-Match/v0.6.50/.buildinfo b/CADET-Match/v0.6.50/.buildinfo
index caef6dfb6..dccde7237 100644
--- a/CADET-Match/v0.6.50/.buildinfo
+++ b/CADET-Match/v0.6.50/.buildinfo
@@ -1,4 +1,4 @@
 # Sphinx build info version 1
 # This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done.
-config: 1009e25df4c4ff1465fbf18da7f97690
+config: d725461a96e27a7f1b1b6590e890d0ee
 tags: 645f666f9bcd5a90fca523b33c5a78b7
diff --git a/CADET-Match/v0.6.50/.doctrees/cli/examples.doctree b/CADET-Match/v0.6.50/.doctrees/cli/examples.doctree
index 05ca5ec1a..7fe2aa042 100644
Binary files a/CADET-Match/v0.6.50/.doctrees/cli/examples.doctree and b/CADET-Match/v0.6.50/.doctrees/cli/examples.doctree differ
diff --git a/CADET-Match/v0.6.50/.doctrees/cli/index.doctree b/CADET-Match/v0.6.50/.doctrees/cli/index.doctree
index 7c57418a7..fd89eea0d 100644
Binary files a/CADET-Match/v0.6.50/.doctrees/cli/index.doctree and b/CADET-Match/v0.6.50/.doctrees/cli/index.doctree differ
diff --git a/CADET-Match/v0.6.50/.doctrees/configuration/basic_config.doctree b/CADET-Match/v0.6.50/.doctrees/configuration/basic_config.doctree
index 6301576b2..8c9feca9d 100644
Binary files a/CADET-Match/v0.6.50/.doctrees/configuration/basic_config.doctree and b/CADET-Match/v0.6.50/.doctrees/configuration/basic_config.doctree differ
diff --git a/CADET-Match/v0.6.50/.doctrees/configuration/error.doctree b/CADET-Match/v0.6.50/.doctrees/configuration/error.doctree
index eb28b1581..81e734aee 100644
Binary files a/CADET-Match/v0.6.50/.doctrees/configuration/error.doctree and b/CADET-Match/v0.6.50/.doctrees/configuration/error.doctree differ
diff --git a/CADET-Match/v0.6.50/.doctrees/configuration/experiments.doctree b/CADET-Match/v0.6.50/.doctrees/configuration/experiments.doctree
index 760eafe0f..658786478 100644
Binary files a/CADET-Match/v0.6.50/.doctrees/configuration/experiments.doctree and b/CADET-Match/v0.6.50/.doctrees/configuration/experiments.doctree differ
diff --git a/CADET-Match/v0.6.50/.doctrees/configuration/graphing.doctree b/CADET-Match/v0.6.50/.doctrees/configuration/graphing.doctree
index 0d1a5bf32..245368009 100644
Binary files a/CADET-Match/v0.6.50/.doctrees/configuration/graphing.doctree and b/CADET-Match/v0.6.50/.doctrees/configuration/graphing.doctree differ
diff --git a/CADET-Match/v0.6.50/.doctrees/configuration/index.doctree b/CADET-Match/v0.6.50/.doctrees/configuration/index.doctree
index 4792bc052..b831c8cd7 100644
Binary files a/CADET-Match/v0.6.50/.doctrees/configuration/index.doctree and b/CADET-Match/v0.6.50/.doctrees/configuration/index.doctree differ
diff --git a/CADET-Match/v0.6.50/.doctrees/configuration/misc.doctree b/CADET-Match/v0.6.50/.doctrees/configuration/misc.doctree
index c7fc84020..ccde8ed21 100644
Binary files a/CADET-Match/v0.6.50/.doctrees/configuration/misc.doctree and b/CADET-Match/v0.6.50/.doctrees/configuration/misc.doctree differ
diff --git a/CADET-Match/v0.6.50/.doctrees/configuration/scores.doctree b/CADET-Match/v0.6.50/.doctrees/configuration/scores.doctree
index 15fa8c538..91ed7b319 100644
Binary files a/CADET-Match/v0.6.50/.doctrees/configuration/scores.doctree and b/CADET-Match/v0.6.50/.doctrees/configuration/scores.doctree differ
diff --git a/CADET-Match/v0.6.50/.doctrees/configuration/search.doctree b/CADET-Match/v0.6.50/.doctrees/configuration/search.doctree
index 6f78d9075..deafc9dd2 100644
Binary files a/CADET-Match/v0.6.50/.doctrees/configuration/search.doctree and b/CADET-Match/v0.6.50/.doctrees/configuration/search.doctree differ
diff --git a/CADET-Match/v0.6.50/.doctrees/configuration/transform.doctree b/CADET-Match/v0.6.50/.doctrees/configuration/transform.doctree
index a9a423d59..63af72201 100644
Binary files a/CADET-Match/v0.6.50/.doctrees/configuration/transform.doctree and b/CADET-Match/v0.6.50/.doctrees/configuration/transform.doctree differ
diff --git a/CADET-Match/v0.6.50/.doctrees/environment.pickle b/CADET-Match/v0.6.50/.doctrees/environment.pickle
index 4e98cde31..e25902ac8 100644
Binary files a/CADET-Match/v0.6.50/.doctrees/environment.pickle and b/CADET-Match/v0.6.50/.doctrees/environment.pickle differ
diff --git a/CADET-Match/v0.6.50/.doctrees/index.doctree b/CADET-Match/v0.6.50/.doctrees/index.doctree
index db6564309..d52bb0c4a 100644
Binary files a/CADET-Match/v0.6.50/.doctrees/index.doctree and b/CADET-Match/v0.6.50/.doctrees/index.doctree differ
diff --git a/CADET-Match/v0.6.50/.doctrees/install/index.doctree b/CADET-Match/v0.6.50/.doctrees/install/index.doctree
index 6531452ad..71a4648ae 100644
Binary files a/CADET-Match/v0.6.50/.doctrees/install/index.doctree and b/CADET-Match/v0.6.50/.doctrees/install/index.doctree differ
diff --git a/CADET-Match/v0.6.50/.doctrees/license.doctree b/CADET-Match/v0.6.50/.doctrees/license.doctree
index 89a4e5c1c..e104cb943 100644
Binary files a/CADET-Match/v0.6.50/.doctrees/license.doctree and b/CADET-Match/v0.6.50/.doctrees/license.doctree differ
diff --git a/CADET-Match/v0.7.0/.buildinfo b/CADET-Match/v0.7.0/.buildinfo
index ef4b9e2c3..1b5d7c5ca 100644
--- a/CADET-Match/v0.7.0/.buildinfo
+++ b/CADET-Match/v0.7.0/.buildinfo
@@ -1,4 +1,4 @@
 # Sphinx build info version 1
 # This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done.
-config: f11dc5c745fc00aca55c2869f46a03fe
+config: f7b558862984f7f5cdbbc3d31d31c7ad
 tags: 645f666f9bcd5a90fca523b33c5a78b7
diff --git a/CADET-Match/v0.7.0/.doctrees/cli/examples.doctree b/CADET-Match/v0.7.0/.doctrees/cli/examples.doctree
index 963b0afc2..e5a91621a 100644
Binary files a/CADET-Match/v0.7.0/.doctrees/cli/examples.doctree and b/CADET-Match/v0.7.0/.doctrees/cli/examples.doctree differ
diff --git a/CADET-Match/v0.7.0/.doctrees/cli/index.doctree b/CADET-Match/v0.7.0/.doctrees/cli/index.doctree
index f9846faff..d53e592c1 100644
Binary files a/CADET-Match/v0.7.0/.doctrees/cli/index.doctree and b/CADET-Match/v0.7.0/.doctrees/cli/index.doctree differ
diff --git a/CADET-Match/v0.7.0/.doctrees/configuration/basic_config.doctree b/CADET-Match/v0.7.0/.doctrees/configuration/basic_config.doctree
index d8399065e..61dccb237 100644
Binary files a/CADET-Match/v0.7.0/.doctrees/configuration/basic_config.doctree and b/CADET-Match/v0.7.0/.doctrees/configuration/basic_config.doctree differ
diff --git a/CADET-Match/v0.7.0/.doctrees/configuration/error.doctree b/CADET-Match/v0.7.0/.doctrees/configuration/error.doctree
index 767dd31ce..97e48f26a 100644
Binary files a/CADET-Match/v0.7.0/.doctrees/configuration/error.doctree and b/CADET-Match/v0.7.0/.doctrees/configuration/error.doctree differ
diff --git a/CADET-Match/v0.7.0/.doctrees/configuration/experiments.doctree b/CADET-Match/v0.7.0/.doctrees/configuration/experiments.doctree
index 9cacc96f8..8c000cf25 100644
Binary files a/CADET-Match/v0.7.0/.doctrees/configuration/experiments.doctree and b/CADET-Match/v0.7.0/.doctrees/configuration/experiments.doctree differ
diff --git a/CADET-Match/v0.7.0/.doctrees/configuration/graphing.doctree b/CADET-Match/v0.7.0/.doctrees/configuration/graphing.doctree
index e6abcaf8f..2ed8e546b 100644
Binary files a/CADET-Match/v0.7.0/.doctrees/configuration/graphing.doctree and b/CADET-Match/v0.7.0/.doctrees/configuration/graphing.doctree differ
diff --git a/CADET-Match/v0.7.0/.doctrees/configuration/index.doctree b/CADET-Match/v0.7.0/.doctrees/configuration/index.doctree
index 6bad6c1fd..ac8b5209d 100644
Binary files a/CADET-Match/v0.7.0/.doctrees/configuration/index.doctree and b/CADET-Match/v0.7.0/.doctrees/configuration/index.doctree differ
diff --git a/CADET-Match/v0.7.0/.doctrees/configuration/misc.doctree b/CADET-Match/v0.7.0/.doctrees/configuration/misc.doctree
index 4cec4a1fa..570415424 100644
Binary files a/CADET-Match/v0.7.0/.doctrees/configuration/misc.doctree and b/CADET-Match/v0.7.0/.doctrees/configuration/misc.doctree differ
diff --git a/CADET-Match/v0.7.0/.doctrees/configuration/scores.doctree b/CADET-Match/v0.7.0/.doctrees/configuration/scores.doctree
index 2b81ca261..52db0df81 100644
Binary files a/CADET-Match/v0.7.0/.doctrees/configuration/scores.doctree and b/CADET-Match/v0.7.0/.doctrees/configuration/scores.doctree differ
diff --git a/CADET-Match/v0.7.0/.doctrees/configuration/search.doctree b/CADET-Match/v0.7.0/.doctrees/configuration/search.doctree
index 94afa6769..afafa5bd4 100644
Binary files a/CADET-Match/v0.7.0/.doctrees/configuration/search.doctree and b/CADET-Match/v0.7.0/.doctrees/configuration/search.doctree differ
diff --git a/CADET-Match/v0.7.0/.doctrees/configuration/transform.doctree b/CADET-Match/v0.7.0/.doctrees/configuration/transform.doctree
index 4e5200425..90b8d327a 100644
Binary files a/CADET-Match/v0.7.0/.doctrees/configuration/transform.doctree and b/CADET-Match/v0.7.0/.doctrees/configuration/transform.doctree differ
diff --git a/CADET-Match/v0.7.0/.doctrees/environment.pickle b/CADET-Match/v0.7.0/.doctrees/environment.pickle
index f445efd50..691f28f2a 100644
Binary files a/CADET-Match/v0.7.0/.doctrees/environment.pickle and b/CADET-Match/v0.7.0/.doctrees/environment.pickle differ
diff --git a/CADET-Match/v0.7.0/.doctrees/index.doctree b/CADET-Match/v0.7.0/.doctrees/index.doctree
index dd0acfb17..10c4a93dd 100644
Binary files a/CADET-Match/v0.7.0/.doctrees/index.doctree and b/CADET-Match/v0.7.0/.doctrees/index.doctree differ
diff --git a/CADET-Match/v0.7.0/.doctrees/install/index.doctree b/CADET-Match/v0.7.0/.doctrees/install/index.doctree
index 9eb5d893d..1d408c25f 100644
Binary files a/CADET-Match/v0.7.0/.doctrees/install/index.doctree and b/CADET-Match/v0.7.0/.doctrees/install/index.doctree differ
diff --git a/CADET-Match/v0.7.0/.doctrees/license.doctree b/CADET-Match/v0.7.0/.doctrees/license.doctree
index 333338490..bc53577da 100644
Binary files a/CADET-Match/v0.7.0/.doctrees/license.doctree and b/CADET-Match/v0.7.0/.doctrees/license.doctree differ
diff --git a/CADET-Match/v0.7.1/.buildinfo b/CADET-Match/v0.7.1/.buildinfo
index ecc1c556b..af91ac348 100644
--- a/CADET-Match/v0.7.1/.buildinfo
+++ b/CADET-Match/v0.7.1/.buildinfo
@@ -1,4 +1,4 @@
 # Sphinx build info version 1
 # This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done.
-config: 4f2d9b4378fb502b9b7e5722c76b96c5
+config: 72ffaf5f71eaa04f5c3716de9283cb93
 tags: 645f666f9bcd5a90fca523b33c5a78b7
diff --git a/CADET-Match/v0.7.1/.doctrees/cli/examples.doctree b/CADET-Match/v0.7.1/.doctrees/cli/examples.doctree
index cefbb61e5..682832cb1 100644
Binary files a/CADET-Match/v0.7.1/.doctrees/cli/examples.doctree and b/CADET-Match/v0.7.1/.doctrees/cli/examples.doctree differ
diff --git a/CADET-Match/v0.7.1/.doctrees/cli/index.doctree b/CADET-Match/v0.7.1/.doctrees/cli/index.doctree
index 3e6571243..1cccba32f 100644
Binary files a/CADET-Match/v0.7.1/.doctrees/cli/index.doctree and b/CADET-Match/v0.7.1/.doctrees/cli/index.doctree differ
diff --git a/CADET-Match/v0.7.1/.doctrees/configuration/basic_config.doctree b/CADET-Match/v0.7.1/.doctrees/configuration/basic_config.doctree
index bf179b596..0066f3f62 100644
Binary files a/CADET-Match/v0.7.1/.doctrees/configuration/basic_config.doctree and b/CADET-Match/v0.7.1/.doctrees/configuration/basic_config.doctree differ
diff --git a/CADET-Match/v0.7.1/.doctrees/configuration/error.doctree b/CADET-Match/v0.7.1/.doctrees/configuration/error.doctree
index df8c1619a..81e53b154 100644
Binary files a/CADET-Match/v0.7.1/.doctrees/configuration/error.doctree and b/CADET-Match/v0.7.1/.doctrees/configuration/error.doctree differ
diff --git a/CADET-Match/v0.7.1/.doctrees/configuration/experiments.doctree b/CADET-Match/v0.7.1/.doctrees/configuration/experiments.doctree
index 02b0da131..f9842fd50 100644
Binary files a/CADET-Match/v0.7.1/.doctrees/configuration/experiments.doctree and b/CADET-Match/v0.7.1/.doctrees/configuration/experiments.doctree differ
diff --git a/CADET-Match/v0.7.1/.doctrees/configuration/graphing.doctree b/CADET-Match/v0.7.1/.doctrees/configuration/graphing.doctree
index 381b6eeb7..b86244748 100644
Binary files a/CADET-Match/v0.7.1/.doctrees/configuration/graphing.doctree and b/CADET-Match/v0.7.1/.doctrees/configuration/graphing.doctree differ
diff --git a/CADET-Match/v0.7.1/.doctrees/configuration/index.doctree b/CADET-Match/v0.7.1/.doctrees/configuration/index.doctree
index b36ac05c5..11898feef 100644
Binary files a/CADET-Match/v0.7.1/.doctrees/configuration/index.doctree and b/CADET-Match/v0.7.1/.doctrees/configuration/index.doctree differ
diff --git a/CADET-Match/v0.7.1/.doctrees/configuration/misc.doctree b/CADET-Match/v0.7.1/.doctrees/configuration/misc.doctree
index b10973a38..65e3062c8 100644
Binary files a/CADET-Match/v0.7.1/.doctrees/configuration/misc.doctree and b/CADET-Match/v0.7.1/.doctrees/configuration/misc.doctree differ
diff --git a/CADET-Match/v0.7.1/.doctrees/configuration/scores.doctree b/CADET-Match/v0.7.1/.doctrees/configuration/scores.doctree
index a1a0c91f3..37b76bafb 100644
Binary files a/CADET-Match/v0.7.1/.doctrees/configuration/scores.doctree and b/CADET-Match/v0.7.1/.doctrees/configuration/scores.doctree differ
diff --git a/CADET-Match/v0.7.1/.doctrees/configuration/search.doctree b/CADET-Match/v0.7.1/.doctrees/configuration/search.doctree
index 3067e8357..2567c57a1 100644
Binary files a/CADET-Match/v0.7.1/.doctrees/configuration/search.doctree and b/CADET-Match/v0.7.1/.doctrees/configuration/search.doctree differ
diff --git a/CADET-Match/v0.7.1/.doctrees/configuration/transform.doctree b/CADET-Match/v0.7.1/.doctrees/configuration/transform.doctree
index 98b2e89d4..f4bab46e6 100644
Binary files a/CADET-Match/v0.7.1/.doctrees/configuration/transform.doctree and b/CADET-Match/v0.7.1/.doctrees/configuration/transform.doctree differ
diff --git a/CADET-Match/v0.7.1/.doctrees/environment.pickle b/CADET-Match/v0.7.1/.doctrees/environment.pickle
index 40da72fb1..c68f81dcb 100644
Binary files a/CADET-Match/v0.7.1/.doctrees/environment.pickle and b/CADET-Match/v0.7.1/.doctrees/environment.pickle differ
diff --git a/CADET-Match/v0.7.1/.doctrees/index.doctree b/CADET-Match/v0.7.1/.doctrees/index.doctree
index 0ee27382c..9bd2b7fe9 100644
Binary files a/CADET-Match/v0.7.1/.doctrees/index.doctree and b/CADET-Match/v0.7.1/.doctrees/index.doctree differ
diff --git a/CADET-Match/v0.7.1/.doctrees/install/index.doctree b/CADET-Match/v0.7.1/.doctrees/install/index.doctree
index ab8a12909..414c27de4 100644
Binary files a/CADET-Match/v0.7.1/.doctrees/install/index.doctree and b/CADET-Match/v0.7.1/.doctrees/install/index.doctree differ
diff --git a/CADET-Match/v0.7.1/.doctrees/license.doctree b/CADET-Match/v0.7.1/.doctrees/license.doctree
index 671d22133..4b1d3bbce 100644
Binary files a/CADET-Match/v0.7.1/.doctrees/license.doctree and b/CADET-Match/v0.7.1/.doctrees/license.doctree differ
diff --git a/CADET-Match/v0.8.0/.buildinfo b/CADET-Match/v0.8.0/.buildinfo
index 02bc436ba..17b3cab7a 100644
--- a/CADET-Match/v0.8.0/.buildinfo
+++ b/CADET-Match/v0.8.0/.buildinfo
@@ -1,4 +1,4 @@
 # Sphinx build info version 1
 # This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done.
-config: aab353d350b829e6766ec3557cdec436
+config: 5da74428f932d05e8fb7277a437fc5a3
 tags: 645f666f9bcd5a90fca523b33c5a78b7
diff --git a/CADET-Match/v0.8.0/.doctrees/cli/examples.doctree b/CADET-Match/v0.8.0/.doctrees/cli/examples.doctree
index ca0d96cb3..0512c1bcf 100644
Binary files a/CADET-Match/v0.8.0/.doctrees/cli/examples.doctree and b/CADET-Match/v0.8.0/.doctrees/cli/examples.doctree differ
diff --git a/CADET-Match/v0.8.0/.doctrees/cli/index.doctree b/CADET-Match/v0.8.0/.doctrees/cli/index.doctree
index 714e83d98..6b80516e7 100644
Binary files a/CADET-Match/v0.8.0/.doctrees/cli/index.doctree and b/CADET-Match/v0.8.0/.doctrees/cli/index.doctree differ
diff --git a/CADET-Match/v0.8.0/.doctrees/configuration/basic_config.doctree b/CADET-Match/v0.8.0/.doctrees/configuration/basic_config.doctree
index b9ac4d9ac..b560ae1f6 100644
Binary files a/CADET-Match/v0.8.0/.doctrees/configuration/basic_config.doctree and b/CADET-Match/v0.8.0/.doctrees/configuration/basic_config.doctree differ
diff --git a/CADET-Match/v0.8.0/.doctrees/configuration/error.doctree b/CADET-Match/v0.8.0/.doctrees/configuration/error.doctree
index 48b079bda..4e34fc223 100644
Binary files a/CADET-Match/v0.8.0/.doctrees/configuration/error.doctree and b/CADET-Match/v0.8.0/.doctrees/configuration/error.doctree differ
diff --git a/CADET-Match/v0.8.0/.doctrees/configuration/experiments.doctree b/CADET-Match/v0.8.0/.doctrees/configuration/experiments.doctree
index 3ecdb26e8..085a2acea 100644
Binary files a/CADET-Match/v0.8.0/.doctrees/configuration/experiments.doctree and b/CADET-Match/v0.8.0/.doctrees/configuration/experiments.doctree differ
diff --git a/CADET-Match/v0.8.0/.doctrees/configuration/graphing.doctree b/CADET-Match/v0.8.0/.doctrees/configuration/graphing.doctree
index 65d97ea5d..2994ae86e 100644
Binary files a/CADET-Match/v0.8.0/.doctrees/configuration/graphing.doctree and b/CADET-Match/v0.8.0/.doctrees/configuration/graphing.doctree differ
diff --git a/CADET-Match/v0.8.0/.doctrees/configuration/index.doctree b/CADET-Match/v0.8.0/.doctrees/configuration/index.doctree
index 5261f1dd8..877615f9b 100644
Binary files a/CADET-Match/v0.8.0/.doctrees/configuration/index.doctree and b/CADET-Match/v0.8.0/.doctrees/configuration/index.doctree differ
diff --git a/CADET-Match/v0.8.0/.doctrees/configuration/misc.doctree b/CADET-Match/v0.8.0/.doctrees/configuration/misc.doctree
index c1484a680..346e1c839 100644
Binary files a/CADET-Match/v0.8.0/.doctrees/configuration/misc.doctree and b/CADET-Match/v0.8.0/.doctrees/configuration/misc.doctree differ
diff --git a/CADET-Match/v0.8.0/.doctrees/configuration/scores.doctree b/CADET-Match/v0.8.0/.doctrees/configuration/scores.doctree
index 7e8340e89..b2c412a80 100644
Binary files a/CADET-Match/v0.8.0/.doctrees/configuration/scores.doctree and b/CADET-Match/v0.8.0/.doctrees/configuration/scores.doctree differ
diff --git a/CADET-Match/v0.8.0/.doctrees/configuration/search.doctree b/CADET-Match/v0.8.0/.doctrees/configuration/search.doctree
index 73674b361..6fbedae53 100644
Binary files a/CADET-Match/v0.8.0/.doctrees/configuration/search.doctree and b/CADET-Match/v0.8.0/.doctrees/configuration/search.doctree differ
diff --git a/CADET-Match/v0.8.0/.doctrees/configuration/transform.doctree b/CADET-Match/v0.8.0/.doctrees/configuration/transform.doctree
index 6b3773459..4212c947f 100644
Binary files a/CADET-Match/v0.8.0/.doctrees/configuration/transform.doctree and b/CADET-Match/v0.8.0/.doctrees/configuration/transform.doctree differ
diff --git a/CADET-Match/v0.8.0/.doctrees/environment.pickle b/CADET-Match/v0.8.0/.doctrees/environment.pickle
index 7bcf270ef..bf26e22ec 100644
Binary files a/CADET-Match/v0.8.0/.doctrees/environment.pickle and b/CADET-Match/v0.8.0/.doctrees/environment.pickle differ
diff --git a/CADET-Match/v0.8.0/.doctrees/index.doctree b/CADET-Match/v0.8.0/.doctrees/index.doctree
index d76490773..aeba28007 100644
Binary files a/CADET-Match/v0.8.0/.doctrees/index.doctree and b/CADET-Match/v0.8.0/.doctrees/index.doctree differ
diff --git a/CADET-Match/v0.8.0/.doctrees/install/index.doctree b/CADET-Match/v0.8.0/.doctrees/install/index.doctree
index 6f51a685a..abab9ac96 100644
Binary files a/CADET-Match/v0.8.0/.doctrees/install/index.doctree and b/CADET-Match/v0.8.0/.doctrees/install/index.doctree differ
diff --git a/CADET-Match/v0.8.0/.doctrees/license.doctree b/CADET-Match/v0.8.0/.doctrees/license.doctree
index 85c7cdf38..029d1fe59 100644
Binary files a/CADET-Match/v0.8.0/.doctrees/license.doctree and b/CADET-Match/v0.8.0/.doctrees/license.doctree differ
diff --git a/CADET-Match/v0.8.10/.buildinfo b/CADET-Match/v0.8.10/.buildinfo
index c99ecb6ac..808528bb4 100644
--- a/CADET-Match/v0.8.10/.buildinfo
+++ b/CADET-Match/v0.8.10/.buildinfo
@@ -1,4 +1,4 @@
 # Sphinx build info version 1
 # This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done.
-config: 114bb0d1801ddbd518f9cbb01a631b1a
+config: 1776bcee92cd4ee8b1f4b516be829dd4
 tags: 645f666f9bcd5a90fca523b33c5a78b7
diff --git a/CADET-Match/v0.8.10/.doctrees/cli/examples.doctree b/CADET-Match/v0.8.10/.doctrees/cli/examples.doctree
index babb19350..47003d9aa 100644
Binary files a/CADET-Match/v0.8.10/.doctrees/cli/examples.doctree and b/CADET-Match/v0.8.10/.doctrees/cli/examples.doctree differ
diff --git a/CADET-Match/v0.8.10/.doctrees/cli/index.doctree b/CADET-Match/v0.8.10/.doctrees/cli/index.doctree
index 97b1235e2..0277f9637 100644
Binary files a/CADET-Match/v0.8.10/.doctrees/cli/index.doctree and b/CADET-Match/v0.8.10/.doctrees/cli/index.doctree differ
diff --git a/CADET-Match/v0.8.10/.doctrees/configuration/basic_config.doctree b/CADET-Match/v0.8.10/.doctrees/configuration/basic_config.doctree
index f06a187e5..57fb8cfb0 100644
Binary files a/CADET-Match/v0.8.10/.doctrees/configuration/basic_config.doctree and b/CADET-Match/v0.8.10/.doctrees/configuration/basic_config.doctree differ
diff --git a/CADET-Match/v0.8.10/.doctrees/configuration/error.doctree b/CADET-Match/v0.8.10/.doctrees/configuration/error.doctree
index 017e59154..4e36237b4 100644
Binary files a/CADET-Match/v0.8.10/.doctrees/configuration/error.doctree and b/CADET-Match/v0.8.10/.doctrees/configuration/error.doctree differ
diff --git a/CADET-Match/v0.8.10/.doctrees/configuration/experiments.doctree b/CADET-Match/v0.8.10/.doctrees/configuration/experiments.doctree
index 79a48ee4d..490804646 100644
Binary files a/CADET-Match/v0.8.10/.doctrees/configuration/experiments.doctree and b/CADET-Match/v0.8.10/.doctrees/configuration/experiments.doctree differ
diff --git a/CADET-Match/v0.8.10/.doctrees/configuration/graphing.doctree b/CADET-Match/v0.8.10/.doctrees/configuration/graphing.doctree
index 2988c9315..0be695318 100644
Binary files a/CADET-Match/v0.8.10/.doctrees/configuration/graphing.doctree and b/CADET-Match/v0.8.10/.doctrees/configuration/graphing.doctree differ
diff --git a/CADET-Match/v0.8.10/.doctrees/configuration/index.doctree b/CADET-Match/v0.8.10/.doctrees/configuration/index.doctree
index c63dd2d78..989538dee 100644
Binary files a/CADET-Match/v0.8.10/.doctrees/configuration/index.doctree and b/CADET-Match/v0.8.10/.doctrees/configuration/index.doctree differ
diff --git a/CADET-Match/v0.8.10/.doctrees/configuration/misc.doctree b/CADET-Match/v0.8.10/.doctrees/configuration/misc.doctree
index fcbcf4271..40679a471 100644
Binary files a/CADET-Match/v0.8.10/.doctrees/configuration/misc.doctree and b/CADET-Match/v0.8.10/.doctrees/configuration/misc.doctree differ
diff --git a/CADET-Match/v0.8.10/.doctrees/configuration/scores.doctree b/CADET-Match/v0.8.10/.doctrees/configuration/scores.doctree
index 5952c5277..dba7d7563 100644
Binary files a/CADET-Match/v0.8.10/.doctrees/configuration/scores.doctree and b/CADET-Match/v0.8.10/.doctrees/configuration/scores.doctree differ
diff --git a/CADET-Match/v0.8.10/.doctrees/configuration/search.doctree b/CADET-Match/v0.8.10/.doctrees/configuration/search.doctree
index 85a407352..42b96e54d 100644
Binary files a/CADET-Match/v0.8.10/.doctrees/configuration/search.doctree and b/CADET-Match/v0.8.10/.doctrees/configuration/search.doctree differ
diff --git a/CADET-Match/v0.8.10/.doctrees/configuration/transform.doctree b/CADET-Match/v0.8.10/.doctrees/configuration/transform.doctree
index 7da946286..03ca94892 100644
Binary files a/CADET-Match/v0.8.10/.doctrees/configuration/transform.doctree and b/CADET-Match/v0.8.10/.doctrees/configuration/transform.doctree differ
diff --git a/CADET-Match/v0.8.10/.doctrees/environment.pickle b/CADET-Match/v0.8.10/.doctrees/environment.pickle
index 795f3888b..8d0287520 100644
Binary files a/CADET-Match/v0.8.10/.doctrees/environment.pickle and b/CADET-Match/v0.8.10/.doctrees/environment.pickle differ
diff --git a/CADET-Match/v0.8.10/.doctrees/index.doctree b/CADET-Match/v0.8.10/.doctrees/index.doctree
index f74f5faed..9e4635718 100644
Binary files a/CADET-Match/v0.8.10/.doctrees/index.doctree and b/CADET-Match/v0.8.10/.doctrees/index.doctree differ
diff --git a/CADET-Match/v0.8.10/.doctrees/install/index.doctree b/CADET-Match/v0.8.10/.doctrees/install/index.doctree
index 6df947db3..fedbeda26 100644
Binary files a/CADET-Match/v0.8.10/.doctrees/install/index.doctree and b/CADET-Match/v0.8.10/.doctrees/install/index.doctree differ
diff --git a/CADET-Match/v0.8.10/.doctrees/license.doctree b/CADET-Match/v0.8.10/.doctrees/license.doctree
index e4c67409e..fd0cb7ecb 100644
Binary files a/CADET-Match/v0.8.10/.doctrees/license.doctree and b/CADET-Match/v0.8.10/.doctrees/license.doctree differ
diff --git a/CADET-Match/v0.8.12/.buildinfo b/CADET-Match/v0.8.12/.buildinfo
index b3006a28e..8d09d53a1 100644
--- a/CADET-Match/v0.8.12/.buildinfo
+++ b/CADET-Match/v0.8.12/.buildinfo
@@ -1,4 +1,4 @@
 # Sphinx build info version 1
 # This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done.
-config: 13d4e236bdd07b8501c9f49ae9f81156
+config: 9838918a4ad7f630dde5e260e8a8a931
 tags: 645f666f9bcd5a90fca523b33c5a78b7
diff --git a/CADET-Match/v0.8.12/.doctrees/cli/examples.doctree b/CADET-Match/v0.8.12/.doctrees/cli/examples.doctree
index 0b726005a..32e2d3ca6 100644
Binary files a/CADET-Match/v0.8.12/.doctrees/cli/examples.doctree and b/CADET-Match/v0.8.12/.doctrees/cli/examples.doctree differ
diff --git a/CADET-Match/v0.8.12/.doctrees/cli/index.doctree b/CADET-Match/v0.8.12/.doctrees/cli/index.doctree
index 287e839e0..000fb2a0e 100644
Binary files a/CADET-Match/v0.8.12/.doctrees/cli/index.doctree and b/CADET-Match/v0.8.12/.doctrees/cli/index.doctree differ
diff --git a/CADET-Match/v0.8.12/.doctrees/configuration/basic_config.doctree b/CADET-Match/v0.8.12/.doctrees/configuration/basic_config.doctree
index 027f2d583..b4cd0ffe0 100644
Binary files a/CADET-Match/v0.8.12/.doctrees/configuration/basic_config.doctree and b/CADET-Match/v0.8.12/.doctrees/configuration/basic_config.doctree differ
diff --git a/CADET-Match/v0.8.12/.doctrees/configuration/error.doctree b/CADET-Match/v0.8.12/.doctrees/configuration/error.doctree
index 36cb92f02..ad16eeb37 100644
Binary files a/CADET-Match/v0.8.12/.doctrees/configuration/error.doctree and b/CADET-Match/v0.8.12/.doctrees/configuration/error.doctree differ
diff --git a/CADET-Match/v0.8.12/.doctrees/configuration/experiments.doctree b/CADET-Match/v0.8.12/.doctrees/configuration/experiments.doctree
index d6bfb9772..24ecdcd71 100644
Binary files a/CADET-Match/v0.8.12/.doctrees/configuration/experiments.doctree and b/CADET-Match/v0.8.12/.doctrees/configuration/experiments.doctree differ
diff --git a/CADET-Match/v0.8.12/.doctrees/configuration/graphing.doctree b/CADET-Match/v0.8.12/.doctrees/configuration/graphing.doctree
index 601c27893..0d182b135 100644
Binary files a/CADET-Match/v0.8.12/.doctrees/configuration/graphing.doctree and b/CADET-Match/v0.8.12/.doctrees/configuration/graphing.doctree differ
diff --git a/CADET-Match/v0.8.12/.doctrees/configuration/index.doctree b/CADET-Match/v0.8.12/.doctrees/configuration/index.doctree
index 606c1a2da..4db67bf63 100644
Binary files a/CADET-Match/v0.8.12/.doctrees/configuration/index.doctree and b/CADET-Match/v0.8.12/.doctrees/configuration/index.doctree differ
diff --git a/CADET-Match/v0.8.12/.doctrees/configuration/misc.doctree b/CADET-Match/v0.8.12/.doctrees/configuration/misc.doctree
index de2b9e9da..2a8fb0636 100644
Binary files a/CADET-Match/v0.8.12/.doctrees/configuration/misc.doctree and b/CADET-Match/v0.8.12/.doctrees/configuration/misc.doctree differ
diff --git a/CADET-Match/v0.8.12/.doctrees/configuration/scores.doctree b/CADET-Match/v0.8.12/.doctrees/configuration/scores.doctree
index d7d92cbbb..1e5b08b61 100644
Binary files a/CADET-Match/v0.8.12/.doctrees/configuration/scores.doctree and b/CADET-Match/v0.8.12/.doctrees/configuration/scores.doctree differ
diff --git a/CADET-Match/v0.8.12/.doctrees/configuration/search.doctree b/CADET-Match/v0.8.12/.doctrees/configuration/search.doctree
index 05c4616ae..2d006e5bd 100644
Binary files a/CADET-Match/v0.8.12/.doctrees/configuration/search.doctree and b/CADET-Match/v0.8.12/.doctrees/configuration/search.doctree differ
diff --git a/CADET-Match/v0.8.12/.doctrees/configuration/transform.doctree b/CADET-Match/v0.8.12/.doctrees/configuration/transform.doctree
index f8c910e17..dcb241118 100644
Binary files a/CADET-Match/v0.8.12/.doctrees/configuration/transform.doctree and b/CADET-Match/v0.8.12/.doctrees/configuration/transform.doctree differ
diff --git a/CADET-Match/v0.8.12/.doctrees/environment.pickle b/CADET-Match/v0.8.12/.doctrees/environment.pickle
index 9f9b9b6ea..6720d58e7 100644
Binary files a/CADET-Match/v0.8.12/.doctrees/environment.pickle and b/CADET-Match/v0.8.12/.doctrees/environment.pickle differ
diff --git a/CADET-Match/v0.8.12/.doctrees/index.doctree b/CADET-Match/v0.8.12/.doctrees/index.doctree
index 27cd255eb..e5d29b970 100644
Binary files a/CADET-Match/v0.8.12/.doctrees/index.doctree and b/CADET-Match/v0.8.12/.doctrees/index.doctree differ
diff --git a/CADET-Match/v0.8.12/.doctrees/install/index.doctree b/CADET-Match/v0.8.12/.doctrees/install/index.doctree
index 25f4a7cbf..94fbbf873 100644
Binary files a/CADET-Match/v0.8.12/.doctrees/install/index.doctree and b/CADET-Match/v0.8.12/.doctrees/install/index.doctree differ
diff --git a/CADET-Match/v0.8.12/.doctrees/license.doctree b/CADET-Match/v0.8.12/.doctrees/license.doctree
index 665bfdabd..56d7efada 100644
Binary files a/CADET-Match/v0.8.12/.doctrees/license.doctree and b/CADET-Match/v0.8.12/.doctrees/license.doctree differ
diff --git a/CADET-Match/v0.8.13/.buildinfo b/CADET-Match/v0.8.13/.buildinfo
index 6ff67751d..20533bed0 100644
--- a/CADET-Match/v0.8.13/.buildinfo
+++ b/CADET-Match/v0.8.13/.buildinfo
@@ -1,4 +1,4 @@
 # Sphinx build info version 1
 # This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done.
-config: 82cff616da0a9919aba2f4118b7e7b55
+config: f64e00dd166499a962adfe679a2e4bab
 tags: 645f666f9bcd5a90fca523b33c5a78b7
diff --git a/CADET-Match/v0.8.13/.doctrees/cli/examples.doctree b/CADET-Match/v0.8.13/.doctrees/cli/examples.doctree
index 3a4cf2560..52909c3f4 100644
Binary files a/CADET-Match/v0.8.13/.doctrees/cli/examples.doctree and b/CADET-Match/v0.8.13/.doctrees/cli/examples.doctree differ
diff --git a/CADET-Match/v0.8.13/.doctrees/cli/index.doctree b/CADET-Match/v0.8.13/.doctrees/cli/index.doctree
index e12fac577..983561f0f 100644
Binary files a/CADET-Match/v0.8.13/.doctrees/cli/index.doctree and b/CADET-Match/v0.8.13/.doctrees/cli/index.doctree differ
diff --git a/CADET-Match/v0.8.13/.doctrees/configuration/basic_config.doctree b/CADET-Match/v0.8.13/.doctrees/configuration/basic_config.doctree
index 59dc1c564..6fac3a99d 100644
Binary files a/CADET-Match/v0.8.13/.doctrees/configuration/basic_config.doctree and b/CADET-Match/v0.8.13/.doctrees/configuration/basic_config.doctree differ
diff --git a/CADET-Match/v0.8.13/.doctrees/configuration/error.doctree b/CADET-Match/v0.8.13/.doctrees/configuration/error.doctree
index 5a56a02d2..65b60c479 100644
Binary files a/CADET-Match/v0.8.13/.doctrees/configuration/error.doctree and b/CADET-Match/v0.8.13/.doctrees/configuration/error.doctree differ
diff --git a/CADET-Match/v0.8.13/.doctrees/configuration/experiments.doctree b/CADET-Match/v0.8.13/.doctrees/configuration/experiments.doctree
index 18802ec49..6cadf9004 100644
Binary files a/CADET-Match/v0.8.13/.doctrees/configuration/experiments.doctree and b/CADET-Match/v0.8.13/.doctrees/configuration/experiments.doctree differ
diff --git a/CADET-Match/v0.8.13/.doctrees/configuration/graphing.doctree b/CADET-Match/v0.8.13/.doctrees/configuration/graphing.doctree
index ae9e9dbba..577bcf7be 100644
Binary files a/CADET-Match/v0.8.13/.doctrees/configuration/graphing.doctree and b/CADET-Match/v0.8.13/.doctrees/configuration/graphing.doctree differ
diff --git a/CADET-Match/v0.8.13/.doctrees/configuration/index.doctree b/CADET-Match/v0.8.13/.doctrees/configuration/index.doctree
index 601f4bade..0457eb928 100644
Binary files a/CADET-Match/v0.8.13/.doctrees/configuration/index.doctree and b/CADET-Match/v0.8.13/.doctrees/configuration/index.doctree differ
diff --git a/CADET-Match/v0.8.13/.doctrees/configuration/misc.doctree b/CADET-Match/v0.8.13/.doctrees/configuration/misc.doctree
index 0873327b2..909bab138 100644
Binary files a/CADET-Match/v0.8.13/.doctrees/configuration/misc.doctree and b/CADET-Match/v0.8.13/.doctrees/configuration/misc.doctree differ
diff --git a/CADET-Match/v0.8.13/.doctrees/configuration/scores.doctree b/CADET-Match/v0.8.13/.doctrees/configuration/scores.doctree
index fce95d0d9..e1755a48f 100644
Binary files a/CADET-Match/v0.8.13/.doctrees/configuration/scores.doctree and b/CADET-Match/v0.8.13/.doctrees/configuration/scores.doctree differ
diff --git a/CADET-Match/v0.8.13/.doctrees/configuration/search.doctree b/CADET-Match/v0.8.13/.doctrees/configuration/search.doctree
index 7d859b4b1..486f0af65 100644
Binary files a/CADET-Match/v0.8.13/.doctrees/configuration/search.doctree and b/CADET-Match/v0.8.13/.doctrees/configuration/search.doctree differ
diff --git a/CADET-Match/v0.8.13/.doctrees/configuration/transform.doctree b/CADET-Match/v0.8.13/.doctrees/configuration/transform.doctree
index 86df8a9de..22f651e89 100644
Binary files a/CADET-Match/v0.8.13/.doctrees/configuration/transform.doctree and b/CADET-Match/v0.8.13/.doctrees/configuration/transform.doctree differ
diff --git a/CADET-Match/v0.8.13/.doctrees/environment.pickle b/CADET-Match/v0.8.13/.doctrees/environment.pickle
index 2285535ff..017e4b51a 100644
Binary files a/CADET-Match/v0.8.13/.doctrees/environment.pickle and b/CADET-Match/v0.8.13/.doctrees/environment.pickle differ
diff --git a/CADET-Match/v0.8.13/.doctrees/index.doctree b/CADET-Match/v0.8.13/.doctrees/index.doctree
index 60ac81716..b1aae3450 100644
Binary files a/CADET-Match/v0.8.13/.doctrees/index.doctree and b/CADET-Match/v0.8.13/.doctrees/index.doctree differ
diff --git a/CADET-Match/v0.8.13/.doctrees/install/index.doctree b/CADET-Match/v0.8.13/.doctrees/install/index.doctree
index 8c5b88664..2c2737d66 100644
Binary files a/CADET-Match/v0.8.13/.doctrees/install/index.doctree and b/CADET-Match/v0.8.13/.doctrees/install/index.doctree differ
diff --git a/CADET-Match/v0.8.13/.doctrees/license.doctree b/CADET-Match/v0.8.13/.doctrees/license.doctree
index 39253cf55..ddeb0fac4 100644
Binary files a/CADET-Match/v0.8.13/.doctrees/license.doctree and b/CADET-Match/v0.8.13/.doctrees/license.doctree differ
diff --git a/CADET-Match/v0.8.14/.buildinfo b/CADET-Match/v0.8.14/.buildinfo
index 9a766a37a..abef1a822 100644
--- a/CADET-Match/v0.8.14/.buildinfo
+++ b/CADET-Match/v0.8.14/.buildinfo
@@ -1,4 +1,4 @@
 # Sphinx build info version 1
 # This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done.
-config: 3024b07046eeefd3d1df483439e1098c
+config: 756aa20e30e9b73ed6bb7f7b51677920
 tags: 645f666f9bcd5a90fca523b33c5a78b7
diff --git a/CADET-Match/v0.8.14/.doctrees/cli/examples.doctree b/CADET-Match/v0.8.14/.doctrees/cli/examples.doctree
index d12392afa..2806d0132 100644
Binary files a/CADET-Match/v0.8.14/.doctrees/cli/examples.doctree and b/CADET-Match/v0.8.14/.doctrees/cli/examples.doctree differ
diff --git a/CADET-Match/v0.8.14/.doctrees/cli/index.doctree b/CADET-Match/v0.8.14/.doctrees/cli/index.doctree
index 049bafcbf..b05540064 100644
Binary files a/CADET-Match/v0.8.14/.doctrees/cli/index.doctree and b/CADET-Match/v0.8.14/.doctrees/cli/index.doctree differ
diff --git a/CADET-Match/v0.8.14/.doctrees/configuration/basic_config.doctree b/CADET-Match/v0.8.14/.doctrees/configuration/basic_config.doctree
index c3fd7dd98..d56187651 100644
Binary files a/CADET-Match/v0.8.14/.doctrees/configuration/basic_config.doctree and b/CADET-Match/v0.8.14/.doctrees/configuration/basic_config.doctree differ
diff --git a/CADET-Match/v0.8.14/.doctrees/configuration/error.doctree b/CADET-Match/v0.8.14/.doctrees/configuration/error.doctree
index 7d2060207..306d8e7b4 100644
Binary files a/CADET-Match/v0.8.14/.doctrees/configuration/error.doctree and b/CADET-Match/v0.8.14/.doctrees/configuration/error.doctree differ
diff --git a/CADET-Match/v0.8.14/.doctrees/configuration/experiments.doctree b/CADET-Match/v0.8.14/.doctrees/configuration/experiments.doctree
index 7be3a3d0c..b9e5ecd1e 100644
Binary files a/CADET-Match/v0.8.14/.doctrees/configuration/experiments.doctree and b/CADET-Match/v0.8.14/.doctrees/configuration/experiments.doctree differ
diff --git a/CADET-Match/v0.8.14/.doctrees/configuration/graphing.doctree b/CADET-Match/v0.8.14/.doctrees/configuration/graphing.doctree
index 65ccebb0e..54a1bca61 100644
Binary files a/CADET-Match/v0.8.14/.doctrees/configuration/graphing.doctree and b/CADET-Match/v0.8.14/.doctrees/configuration/graphing.doctree differ
diff --git a/CADET-Match/v0.8.14/.doctrees/configuration/index.doctree b/CADET-Match/v0.8.14/.doctrees/configuration/index.doctree
index c6a8a5682..2c98cb775 100644
Binary files a/CADET-Match/v0.8.14/.doctrees/configuration/index.doctree and b/CADET-Match/v0.8.14/.doctrees/configuration/index.doctree differ
diff --git a/CADET-Match/v0.8.14/.doctrees/configuration/misc.doctree b/CADET-Match/v0.8.14/.doctrees/configuration/misc.doctree
index a49e67c30..b43064e8a 100644
Binary files a/CADET-Match/v0.8.14/.doctrees/configuration/misc.doctree and b/CADET-Match/v0.8.14/.doctrees/configuration/misc.doctree differ
diff --git a/CADET-Match/v0.8.14/.doctrees/configuration/scores.doctree b/CADET-Match/v0.8.14/.doctrees/configuration/scores.doctree
index e41adc904..a8a5bf34c 100644
Binary files a/CADET-Match/v0.8.14/.doctrees/configuration/scores.doctree and b/CADET-Match/v0.8.14/.doctrees/configuration/scores.doctree differ
diff --git a/CADET-Match/v0.8.14/.doctrees/configuration/search.doctree b/CADET-Match/v0.8.14/.doctrees/configuration/search.doctree
index 6cb1c4ae0..e36ed14e3 100644
Binary files a/CADET-Match/v0.8.14/.doctrees/configuration/search.doctree and b/CADET-Match/v0.8.14/.doctrees/configuration/search.doctree differ
diff --git a/CADET-Match/v0.8.14/.doctrees/configuration/transform.doctree b/CADET-Match/v0.8.14/.doctrees/configuration/transform.doctree
index 6e51a7deb..c2354b1b4 100644
Binary files a/CADET-Match/v0.8.14/.doctrees/configuration/transform.doctree and b/CADET-Match/v0.8.14/.doctrees/configuration/transform.doctree differ
diff --git a/CADET-Match/v0.8.14/.doctrees/environment.pickle b/CADET-Match/v0.8.14/.doctrees/environment.pickle
index c630209ce..55dd4c08d 100644
Binary files a/CADET-Match/v0.8.14/.doctrees/environment.pickle and b/CADET-Match/v0.8.14/.doctrees/environment.pickle differ
diff --git a/CADET-Match/v0.8.14/.doctrees/index.doctree b/CADET-Match/v0.8.14/.doctrees/index.doctree
index 4d46bfb78..bcda94dfb 100644
Binary files a/CADET-Match/v0.8.14/.doctrees/index.doctree and b/CADET-Match/v0.8.14/.doctrees/index.doctree differ
diff --git a/CADET-Match/v0.8.14/.doctrees/install/index.doctree b/CADET-Match/v0.8.14/.doctrees/install/index.doctree
index 140e6d4be..94c502697 100644
Binary files a/CADET-Match/v0.8.14/.doctrees/install/index.doctree and b/CADET-Match/v0.8.14/.doctrees/install/index.doctree differ
diff --git a/CADET-Match/v0.8.14/.doctrees/license.doctree b/CADET-Match/v0.8.14/.doctrees/license.doctree
index 1e8ae1eec..a9fc65dd4 100644
Binary files a/CADET-Match/v0.8.14/.doctrees/license.doctree and b/CADET-Match/v0.8.14/.doctrees/license.doctree differ
diff --git a/CADET-Match/v0.8.15/.buildinfo b/CADET-Match/v0.8.15/.buildinfo
index 4df5a4589..925696f48 100644
--- a/CADET-Match/v0.8.15/.buildinfo
+++ b/CADET-Match/v0.8.15/.buildinfo
@@ -1,4 +1,4 @@
 # Sphinx build info version 1
 # This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done.
-config: 218fd43c8f7aead37d9d34a476826c35
+config: 10d96242f1d88d3063d8cb371fc95df9
 tags: 645f666f9bcd5a90fca523b33c5a78b7
diff --git a/CADET-Match/v0.8.15/.doctrees/cli/examples.doctree b/CADET-Match/v0.8.15/.doctrees/cli/examples.doctree
index e50670f1c..9cbd53746 100644
Binary files a/CADET-Match/v0.8.15/.doctrees/cli/examples.doctree and b/CADET-Match/v0.8.15/.doctrees/cli/examples.doctree differ
diff --git a/CADET-Match/v0.8.15/.doctrees/cli/index.doctree b/CADET-Match/v0.8.15/.doctrees/cli/index.doctree
index 75d8689cb..c6634fc16 100644
Binary files a/CADET-Match/v0.8.15/.doctrees/cli/index.doctree and b/CADET-Match/v0.8.15/.doctrees/cli/index.doctree differ
diff --git a/CADET-Match/v0.8.15/.doctrees/configuration/basic_config.doctree b/CADET-Match/v0.8.15/.doctrees/configuration/basic_config.doctree
index 98b8bcd63..83276b221 100644
Binary files a/CADET-Match/v0.8.15/.doctrees/configuration/basic_config.doctree and b/CADET-Match/v0.8.15/.doctrees/configuration/basic_config.doctree differ
diff --git a/CADET-Match/v0.8.15/.doctrees/configuration/error.doctree b/CADET-Match/v0.8.15/.doctrees/configuration/error.doctree
index 11a918760..6ee9f336d 100644
Binary files a/CADET-Match/v0.8.15/.doctrees/configuration/error.doctree and b/CADET-Match/v0.8.15/.doctrees/configuration/error.doctree differ
diff --git a/CADET-Match/v0.8.15/.doctrees/configuration/experiments.doctree b/CADET-Match/v0.8.15/.doctrees/configuration/experiments.doctree
index 285259f09..7f8c71f91 100644
Binary files a/CADET-Match/v0.8.15/.doctrees/configuration/experiments.doctree and b/CADET-Match/v0.8.15/.doctrees/configuration/experiments.doctree differ
diff --git a/CADET-Match/v0.8.15/.doctrees/configuration/graphing.doctree b/CADET-Match/v0.8.15/.doctrees/configuration/graphing.doctree
index c3027c3a7..c175f9ff1 100644
Binary files a/CADET-Match/v0.8.15/.doctrees/configuration/graphing.doctree and b/CADET-Match/v0.8.15/.doctrees/configuration/graphing.doctree differ
diff --git a/CADET-Match/v0.8.15/.doctrees/configuration/index.doctree b/CADET-Match/v0.8.15/.doctrees/configuration/index.doctree
index daef8892f..ceb822c69 100644
Binary files a/CADET-Match/v0.8.15/.doctrees/configuration/index.doctree and b/CADET-Match/v0.8.15/.doctrees/configuration/index.doctree differ
diff --git a/CADET-Match/v0.8.15/.doctrees/configuration/misc.doctree b/CADET-Match/v0.8.15/.doctrees/configuration/misc.doctree
index 069599b19..ab08ebe54 100644
Binary files a/CADET-Match/v0.8.15/.doctrees/configuration/misc.doctree and b/CADET-Match/v0.8.15/.doctrees/configuration/misc.doctree differ
diff --git a/CADET-Match/v0.8.15/.doctrees/configuration/scores.doctree b/CADET-Match/v0.8.15/.doctrees/configuration/scores.doctree
index d38de1b8d..fcc9ca65e 100644
Binary files a/CADET-Match/v0.8.15/.doctrees/configuration/scores.doctree and b/CADET-Match/v0.8.15/.doctrees/configuration/scores.doctree differ
diff --git a/CADET-Match/v0.8.15/.doctrees/configuration/search.doctree b/CADET-Match/v0.8.15/.doctrees/configuration/search.doctree
index 5093cb7af..90f3b58b5 100644
Binary files a/CADET-Match/v0.8.15/.doctrees/configuration/search.doctree and b/CADET-Match/v0.8.15/.doctrees/configuration/search.doctree differ
diff --git a/CADET-Match/v0.8.15/.doctrees/configuration/transform.doctree b/CADET-Match/v0.8.15/.doctrees/configuration/transform.doctree
index 9b39a966f..154a8f6e0 100644
Binary files a/CADET-Match/v0.8.15/.doctrees/configuration/transform.doctree and b/CADET-Match/v0.8.15/.doctrees/configuration/transform.doctree differ
diff --git a/CADET-Match/v0.8.15/.doctrees/environment.pickle b/CADET-Match/v0.8.15/.doctrees/environment.pickle
index cc1f14f1a..0b79616a6 100644
Binary files a/CADET-Match/v0.8.15/.doctrees/environment.pickle and b/CADET-Match/v0.8.15/.doctrees/environment.pickle differ
diff --git a/CADET-Match/v0.8.15/.doctrees/index.doctree b/CADET-Match/v0.8.15/.doctrees/index.doctree
index 508e010a3..698b1589a 100644
Binary files a/CADET-Match/v0.8.15/.doctrees/index.doctree and b/CADET-Match/v0.8.15/.doctrees/index.doctree differ
diff --git a/CADET-Match/v0.8.15/.doctrees/install/index.doctree b/CADET-Match/v0.8.15/.doctrees/install/index.doctree
index 074380ec7..fe48cf3fe 100644
Binary files a/CADET-Match/v0.8.15/.doctrees/install/index.doctree and b/CADET-Match/v0.8.15/.doctrees/install/index.doctree differ
diff --git a/CADET-Match/v0.8.15/.doctrees/license.doctree b/CADET-Match/v0.8.15/.doctrees/license.doctree
index 6ae5d6ffd..667d59c3a 100644
Binary files a/CADET-Match/v0.8.15/.doctrees/license.doctree and b/CADET-Match/v0.8.15/.doctrees/license.doctree differ
diff --git a/CADET-Match/v0.8.16/.buildinfo b/CADET-Match/v0.8.16/.buildinfo
index 7029684c7..2e1c456aa 100644
--- a/CADET-Match/v0.8.16/.buildinfo
+++ b/CADET-Match/v0.8.16/.buildinfo
@@ -1,4 +1,4 @@
 # Sphinx build info version 1
 # This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done.
-config: 0542113fb3cd80739b87d0be05f68867
+config: 0078905dd57b330f0da2fd0bcddd4da6
 tags: 645f666f9bcd5a90fca523b33c5a78b7
diff --git a/CADET-Match/v0.8.16/.doctrees/cli/examples.doctree b/CADET-Match/v0.8.16/.doctrees/cli/examples.doctree
index 46bd96163..d96829575 100644
Binary files a/CADET-Match/v0.8.16/.doctrees/cli/examples.doctree and b/CADET-Match/v0.8.16/.doctrees/cli/examples.doctree differ
diff --git a/CADET-Match/v0.8.16/.doctrees/cli/index.doctree b/CADET-Match/v0.8.16/.doctrees/cli/index.doctree
index 5c25fddd8..7215bf730 100644
Binary files a/CADET-Match/v0.8.16/.doctrees/cli/index.doctree and b/CADET-Match/v0.8.16/.doctrees/cli/index.doctree differ
diff --git a/CADET-Match/v0.8.16/.doctrees/configuration/basic_config.doctree b/CADET-Match/v0.8.16/.doctrees/configuration/basic_config.doctree
index 51813cf9b..e1cc8c452 100644
Binary files a/CADET-Match/v0.8.16/.doctrees/configuration/basic_config.doctree and b/CADET-Match/v0.8.16/.doctrees/configuration/basic_config.doctree differ
diff --git a/CADET-Match/v0.8.16/.doctrees/configuration/error.doctree b/CADET-Match/v0.8.16/.doctrees/configuration/error.doctree
index 53ac4c583..ecf494778 100644
Binary files a/CADET-Match/v0.8.16/.doctrees/configuration/error.doctree and b/CADET-Match/v0.8.16/.doctrees/configuration/error.doctree differ
diff --git a/CADET-Match/v0.8.16/.doctrees/configuration/experiments.doctree b/CADET-Match/v0.8.16/.doctrees/configuration/experiments.doctree
index 7d8f2fba6..35288afeb 100644
Binary files a/CADET-Match/v0.8.16/.doctrees/configuration/experiments.doctree and b/CADET-Match/v0.8.16/.doctrees/configuration/experiments.doctree differ
diff --git a/CADET-Match/v0.8.16/.doctrees/configuration/graphing.doctree b/CADET-Match/v0.8.16/.doctrees/configuration/graphing.doctree
index 40d4c5834..f504b66f5 100644
Binary files a/CADET-Match/v0.8.16/.doctrees/configuration/graphing.doctree and b/CADET-Match/v0.8.16/.doctrees/configuration/graphing.doctree differ
diff --git a/CADET-Match/v0.8.16/.doctrees/configuration/index.doctree b/CADET-Match/v0.8.16/.doctrees/configuration/index.doctree
index e9ed38e13..2a9c4b3f3 100644
Binary files a/CADET-Match/v0.8.16/.doctrees/configuration/index.doctree and b/CADET-Match/v0.8.16/.doctrees/configuration/index.doctree differ
diff --git a/CADET-Match/v0.8.16/.doctrees/configuration/misc.doctree b/CADET-Match/v0.8.16/.doctrees/configuration/misc.doctree
index f6f43a22a..4553a29d2 100644
Binary files a/CADET-Match/v0.8.16/.doctrees/configuration/misc.doctree and b/CADET-Match/v0.8.16/.doctrees/configuration/misc.doctree differ
diff --git a/CADET-Match/v0.8.16/.doctrees/configuration/scores.doctree b/CADET-Match/v0.8.16/.doctrees/configuration/scores.doctree
index a6c2a94dd..2a20e8593 100644
Binary files a/CADET-Match/v0.8.16/.doctrees/configuration/scores.doctree and b/CADET-Match/v0.8.16/.doctrees/configuration/scores.doctree differ
diff --git a/CADET-Match/v0.8.16/.doctrees/configuration/search.doctree b/CADET-Match/v0.8.16/.doctrees/configuration/search.doctree
index 127fae0e7..63ebbe84a 100644
Binary files a/CADET-Match/v0.8.16/.doctrees/configuration/search.doctree and b/CADET-Match/v0.8.16/.doctrees/configuration/search.doctree differ
diff --git a/CADET-Match/v0.8.16/.doctrees/configuration/transform.doctree b/CADET-Match/v0.8.16/.doctrees/configuration/transform.doctree
index 78218f6ed..0892e83c6 100644
Binary files a/CADET-Match/v0.8.16/.doctrees/configuration/transform.doctree and b/CADET-Match/v0.8.16/.doctrees/configuration/transform.doctree differ
diff --git a/CADET-Match/v0.8.16/.doctrees/environment.pickle b/CADET-Match/v0.8.16/.doctrees/environment.pickle
index 3491911e3..1e85647dd 100644
Binary files a/CADET-Match/v0.8.16/.doctrees/environment.pickle and b/CADET-Match/v0.8.16/.doctrees/environment.pickle differ
diff --git a/CADET-Match/v0.8.16/.doctrees/index.doctree b/CADET-Match/v0.8.16/.doctrees/index.doctree
index 503e2fb12..c92b22a11 100644
Binary files a/CADET-Match/v0.8.16/.doctrees/index.doctree and b/CADET-Match/v0.8.16/.doctrees/index.doctree differ
diff --git a/CADET-Match/v0.8.16/.doctrees/install/index.doctree b/CADET-Match/v0.8.16/.doctrees/install/index.doctree
index 1dc5a916a..14c48221b 100644
Binary files a/CADET-Match/v0.8.16/.doctrees/install/index.doctree and b/CADET-Match/v0.8.16/.doctrees/install/index.doctree differ
diff --git a/CADET-Match/v0.8.16/.doctrees/license.doctree b/CADET-Match/v0.8.16/.doctrees/license.doctree
index eeb4f5651..3c0129bd4 100644
Binary files a/CADET-Match/v0.8.16/.doctrees/license.doctree and b/CADET-Match/v0.8.16/.doctrees/license.doctree differ
diff --git a/CADET-Match/v0.8.7/.buildinfo b/CADET-Match/v0.8.7/.buildinfo
index a80c80256..271aed230 100644
--- a/CADET-Match/v0.8.7/.buildinfo
+++ b/CADET-Match/v0.8.7/.buildinfo
@@ -1,4 +1,4 @@
 # Sphinx build info version 1
 # This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done.
-config: fab1f034287ee9a9ec64fa4304a4daa8
+config: 54bf11af6ea031bf5f59075c39ce8a77
 tags: 645f666f9bcd5a90fca523b33c5a78b7
diff --git a/CADET-Match/v0.8.7/.doctrees/cli/examples.doctree b/CADET-Match/v0.8.7/.doctrees/cli/examples.doctree
index 190295b91..af10e517a 100644
Binary files a/CADET-Match/v0.8.7/.doctrees/cli/examples.doctree and b/CADET-Match/v0.8.7/.doctrees/cli/examples.doctree differ
diff --git a/CADET-Match/v0.8.7/.doctrees/cli/index.doctree b/CADET-Match/v0.8.7/.doctrees/cli/index.doctree
index e1379c1c7..59dfe92a4 100644
Binary files a/CADET-Match/v0.8.7/.doctrees/cli/index.doctree and b/CADET-Match/v0.8.7/.doctrees/cli/index.doctree differ
diff --git a/CADET-Match/v0.8.7/.doctrees/configuration/basic_config.doctree b/CADET-Match/v0.8.7/.doctrees/configuration/basic_config.doctree
index 5b31f9425..4e72e9c8d 100644
Binary files a/CADET-Match/v0.8.7/.doctrees/configuration/basic_config.doctree and b/CADET-Match/v0.8.7/.doctrees/configuration/basic_config.doctree differ
diff --git a/CADET-Match/v0.8.7/.doctrees/configuration/error.doctree b/CADET-Match/v0.8.7/.doctrees/configuration/error.doctree
index 0f54d4239..94e7465da 100644
Binary files a/CADET-Match/v0.8.7/.doctrees/configuration/error.doctree and b/CADET-Match/v0.8.7/.doctrees/configuration/error.doctree differ
diff --git a/CADET-Match/v0.8.7/.doctrees/configuration/experiments.doctree b/CADET-Match/v0.8.7/.doctrees/configuration/experiments.doctree
index 314100185..87dcb5594 100644
Binary files a/CADET-Match/v0.8.7/.doctrees/configuration/experiments.doctree and b/CADET-Match/v0.8.7/.doctrees/configuration/experiments.doctree differ
diff --git a/CADET-Match/v0.8.7/.doctrees/configuration/graphing.doctree b/CADET-Match/v0.8.7/.doctrees/configuration/graphing.doctree
index 79fcd4dfc..6cb120e83 100644
Binary files a/CADET-Match/v0.8.7/.doctrees/configuration/graphing.doctree and b/CADET-Match/v0.8.7/.doctrees/configuration/graphing.doctree differ
diff --git a/CADET-Match/v0.8.7/.doctrees/configuration/index.doctree b/CADET-Match/v0.8.7/.doctrees/configuration/index.doctree
index ebd2abb5a..2e414e6f5 100644
Binary files a/CADET-Match/v0.8.7/.doctrees/configuration/index.doctree and b/CADET-Match/v0.8.7/.doctrees/configuration/index.doctree differ
diff --git a/CADET-Match/v0.8.7/.doctrees/configuration/misc.doctree b/CADET-Match/v0.8.7/.doctrees/configuration/misc.doctree
index 9e8097c7e..ffed940fb 100644
Binary files a/CADET-Match/v0.8.7/.doctrees/configuration/misc.doctree and b/CADET-Match/v0.8.7/.doctrees/configuration/misc.doctree differ
diff --git a/CADET-Match/v0.8.7/.doctrees/configuration/scores.doctree b/CADET-Match/v0.8.7/.doctrees/configuration/scores.doctree
index f55ddc9e4..1ffcdb12c 100644
Binary files a/CADET-Match/v0.8.7/.doctrees/configuration/scores.doctree and b/CADET-Match/v0.8.7/.doctrees/configuration/scores.doctree differ
diff --git a/CADET-Match/v0.8.7/.doctrees/configuration/search.doctree b/CADET-Match/v0.8.7/.doctrees/configuration/search.doctree
index abbd9f848..c85e4d414 100644
Binary files a/CADET-Match/v0.8.7/.doctrees/configuration/search.doctree and b/CADET-Match/v0.8.7/.doctrees/configuration/search.doctree differ
diff --git a/CADET-Match/v0.8.7/.doctrees/configuration/transform.doctree b/CADET-Match/v0.8.7/.doctrees/configuration/transform.doctree
index b30ab647d..4c7e60519 100644
Binary files a/CADET-Match/v0.8.7/.doctrees/configuration/transform.doctree and b/CADET-Match/v0.8.7/.doctrees/configuration/transform.doctree differ
diff --git a/CADET-Match/v0.8.7/.doctrees/environment.pickle b/CADET-Match/v0.8.7/.doctrees/environment.pickle
index c528490fa..559918471 100644
Binary files a/CADET-Match/v0.8.7/.doctrees/environment.pickle and b/CADET-Match/v0.8.7/.doctrees/environment.pickle differ
diff --git a/CADET-Match/v0.8.7/.doctrees/index.doctree b/CADET-Match/v0.8.7/.doctrees/index.doctree
index f5c1b412a..d657afbcd 100644
Binary files a/CADET-Match/v0.8.7/.doctrees/index.doctree and b/CADET-Match/v0.8.7/.doctrees/index.doctree differ
diff --git a/CADET-Match/v0.8.7/.doctrees/install/index.doctree b/CADET-Match/v0.8.7/.doctrees/install/index.doctree
index 52ee56d06..79434a7ce 100644
Binary files a/CADET-Match/v0.8.7/.doctrees/install/index.doctree and b/CADET-Match/v0.8.7/.doctrees/install/index.doctree differ
diff --git a/CADET-Match/v0.8.7/.doctrees/license.doctree b/CADET-Match/v0.8.7/.doctrees/license.doctree
index 222f77528..7c782c005 100644
Binary files a/CADET-Match/v0.8.7/.doctrees/license.doctree and b/CADET-Match/v0.8.7/.doctrees/license.doctree differ
diff --git a/chore/developer_guide/.buildinfo b/chore/developer_guide/.buildinfo
index 69de39827..74fcb0b4a 100644
--- a/chore/developer_guide/.buildinfo
+++ b/chore/developer_guide/.buildinfo
@@ -1,4 +1,4 @@
 # Sphinx build info version 1
 # This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done.
-config: 5e2ec62bc86f6b19c9cd93f3a30ea74a
+config: 2107b2239a023e349913852cbed2300e
 tags: 645f666f9bcd5a90fca523b33c5a78b7
diff --git a/chore/developer_guide/.doctrees/README.doctree b/chore/developer_guide/.doctrees/README.doctree
index 774d5ea87..e063ab290 100644
Binary files a/chore/developer_guide/.doctrees/README.doctree and b/chore/developer_guide/.doctrees/README.doctree differ
diff --git a/chore/developer_guide/.doctrees/developer_guide/build_options.doctree b/chore/developer_guide/.doctrees/developer_guide/build_options.doctree
index 96730f77a..1c2bd1e38 100644
Binary files a/chore/developer_guide/.doctrees/developer_guide/build_options.doctree and b/chore/developer_guide/.doctrees/developer_guide/build_options.doctree differ
diff --git a/chore/developer_guide/.doctrees/developer_guide/cadet_core_architecture.doctree b/chore/developer_guide/.doctrees/developer_guide/cadet_core_architecture.doctree
index c3abd3f21..760380009 100644
Binary files a/chore/developer_guide/.doctrees/developer_guide/cadet_core_architecture.doctree and b/chore/developer_guide/.doctrees/developer_guide/cadet_core_architecture.doctree differ
diff --git a/chore/developer_guide/.doctrees/developer_guide/debugging.doctree b/chore/developer_guide/.doctrees/developer_guide/debugging.doctree
index 649a82b5a..b5ba47372 100644
Binary files a/chore/developer_guide/.doctrees/developer_guide/debugging.doctree and b/chore/developer_guide/.doctrees/developer_guide/debugging.doctree differ
diff --git a/chore/developer_guide/.doctrees/developer_guide/index.doctree b/chore/developer_guide/.doctrees/developer_guide/index.doctree
index 9dc3cdbbf..94a982d00 100644
Binary files a/chore/developer_guide/.doctrees/developer_guide/index.doctree and b/chore/developer_guide/.doctrees/developer_guide/index.doctree differ
diff --git a/chore/developer_guide/.doctrees/developer_guide/model_expansion.doctree b/chore/developer_guide/.doctrees/developer_guide/model_expansion.doctree
index 581610358..b8633af87 100644
Binary files a/chore/developer_guide/.doctrees/developer_guide/model_expansion.doctree and b/chore/developer_guide/.doctrees/developer_guide/model_expansion.doctree differ
diff --git a/chore/developer_guide/.doctrees/developer_guide/testing.doctree b/chore/developer_guide/.doctrees/developer_guide/testing.doctree
index 207ea58e2..3a5153af3 100644
Binary files a/chore/developer_guide/.doctrees/developer_guide/testing.doctree and b/chore/developer_guide/.doctrees/developer_guide/testing.doctree differ
diff --git a/chore/developer_guide/.doctrees/environment.pickle b/chore/developer_guide/.doctrees/environment.pickle
index 693264044..da9431222 100644
Binary files a/chore/developer_guide/.doctrees/environment.pickle and b/chore/developer_guide/.doctrees/environment.pickle differ
diff --git a/chore/developer_guide/.doctrees/examples/batch_chromatography.doctree b/chore/developer_guide/.doctrees/examples/batch_chromatography.doctree
index 33bd710bd..491cfd668 100644
Binary files a/chore/developer_guide/.doctrees/examples/batch_chromatography.doctree and b/chore/developer_guide/.doctrees/examples/batch_chromatography.doctree differ
diff --git a/chore/developer_guide/.doctrees/examples/index.doctree b/chore/developer_guide/.doctrees/examples/index.doctree
index 0c27e3b33..5c26d7ace 100644
Binary files a/chore/developer_guide/.doctrees/examples/index.doctree and b/chore/developer_guide/.doctrees/examples/index.doctree differ
diff --git a/chore/developer_guide/.doctrees/examples/load_wash_elute.doctree b/chore/developer_guide/.doctrees/examples/load_wash_elute.doctree
index 2cd068075..77b22aacf 100644
Binary files a/chore/developer_guide/.doctrees/examples/load_wash_elute.doctree and b/chore/developer_guide/.doctrees/examples/load_wash_elute.doctree differ
diff --git a/chore/developer_guide/.doctrees/examples/reaction_cstr.doctree b/chore/developer_guide/.doctrees/examples/reaction_cstr.doctree
index ac9582bcc..35dfdcb6d 100644
Binary files a/chore/developer_guide/.doctrees/examples/reaction_cstr.doctree and b/chore/developer_guide/.doctrees/examples/reaction_cstr.doctree differ
diff --git a/chore/developer_guide/.doctrees/examples/rtd.doctree b/chore/developer_guide/.doctrees/examples/rtd.doctree
index d0f3f3d25..3341132c1 100644
Binary files a/chore/developer_guide/.doctrees/examples/rtd.doctree and b/chore/developer_guide/.doctrees/examples/rtd.doctree differ
diff --git a/chore/developer_guide/.doctrees/getting_started/build_linux.doctree b/chore/developer_guide/.doctrees/getting_started/build_linux.doctree
index 175bca2fc..250786ac5 100644
Binary files a/chore/developer_guide/.doctrees/getting_started/build_linux.doctree and b/chore/developer_guide/.doctrees/getting_started/build_linux.doctree differ
diff --git a/chore/developer_guide/.doctrees/getting_started/build_osx.doctree b/chore/developer_guide/.doctrees/getting_started/build_osx.doctree
index 058488c0d..7d22b6301 100644
Binary files a/chore/developer_guide/.doctrees/getting_started/build_osx.doctree and b/chore/developer_guide/.doctrees/getting_started/build_osx.doctree differ
diff --git a/chore/developer_guide/.doctrees/getting_started/build_windows.doctree b/chore/developer_guide/.doctrees/getting_started/build_windows.doctree
index bb94813ce..0493bd93c 100644
Binary files a/chore/developer_guide/.doctrees/getting_started/build_windows.doctree and b/chore/developer_guide/.doctrees/getting_started/build_windows.doctree differ
diff --git a/chore/developer_guide/.doctrees/getting_started/index.doctree b/chore/developer_guide/.doctrees/getting_started/index.doctree
index cb4d77f53..b01344aa6 100644
Binary files a/chore/developer_guide/.doctrees/getting_started/index.doctree and b/chore/developer_guide/.doctrees/getting_started/index.doctree differ
diff --git a/chore/developer_guide/.doctrees/getting_started/installation.doctree b/chore/developer_guide/.doctrees/getting_started/installation.doctree
index 4a5bcc35d..f50b2c1b2 100644
Binary files a/chore/developer_guide/.doctrees/getting_started/installation.doctree and b/chore/developer_guide/.doctrees/getting_started/installation.doctree differ
diff --git a/chore/developer_guide/.doctrees/getting_started/overview.doctree b/chore/developer_guide/.doctrees/getting_started/overview.doctree
index 2eddfbdce..d67ed658c 100644
Binary files a/chore/developer_guide/.doctrees/getting_started/overview.doctree and b/chore/developer_guide/.doctrees/getting_started/overview.doctree differ
diff --git a/chore/developer_guide/.doctrees/getting_started/tutorials/breakthrough.doctree b/chore/developer_guide/.doctrees/getting_started/tutorials/breakthrough.doctree
index 26580a329..920c7a53c 100644
Binary files a/chore/developer_guide/.doctrees/getting_started/tutorials/breakthrough.doctree and b/chore/developer_guide/.doctrees/getting_started/tutorials/breakthrough.doctree differ
diff --git a/chore/developer_guide/.doctrees/index.doctree b/chore/developer_guide/.doctrees/index.doctree
index 5ab6d75a7..61e7b53c2 100644
Binary files a/chore/developer_guide/.doctrees/index.doctree and b/chore/developer_guide/.doctrees/index.doctree differ
diff --git a/chore/developer_guide/.doctrees/interface/binding/bi_steric_mass_action.doctree b/chore/developer_guide/.doctrees/interface/binding/bi_steric_mass_action.doctree
index 2b607d3d7..bc6220a57 100644
Binary files a/chore/developer_guide/.doctrees/interface/binding/bi_steric_mass_action.doctree and b/chore/developer_guide/.doctrees/interface/binding/bi_steric_mass_action.doctree differ
diff --git a/chore/developer_guide/.doctrees/interface/binding/extended_mobile_phase_modulator_langmuir.doctree b/chore/developer_guide/.doctrees/interface/binding/extended_mobile_phase_modulator_langmuir.doctree
index acee58c36..a9d7214e9 100644
Binary files a/chore/developer_guide/.doctrees/interface/binding/extended_mobile_phase_modulator_langmuir.doctree and b/chore/developer_guide/.doctrees/interface/binding/extended_mobile_phase_modulator_langmuir.doctree differ
diff --git a/chore/developer_guide/.doctrees/interface/binding/freundlich_ldf.doctree b/chore/developer_guide/.doctrees/interface/binding/freundlich_ldf.doctree
index 08f6a312e..868931933 100644
Binary files a/chore/developer_guide/.doctrees/interface/binding/freundlich_ldf.doctree and b/chore/developer_guide/.doctrees/interface/binding/freundlich_ldf.doctree differ
diff --git a/chore/developer_guide/.doctrees/interface/binding/generalized_ion_exchange.doctree b/chore/developer_guide/.doctrees/interface/binding/generalized_ion_exchange.doctree
index 506dad416..03d56a783 100644
Binary files a/chore/developer_guide/.doctrees/interface/binding/generalized_ion_exchange.doctree and b/chore/developer_guide/.doctrees/interface/binding/generalized_ion_exchange.doctree differ
diff --git a/chore/developer_guide/.doctrees/interface/binding/hic_constant_water_activity.doctree b/chore/developer_guide/.doctrees/interface/binding/hic_constant_water_activity.doctree
index a0f909b92..8b92469c4 100644
Binary files a/chore/developer_guide/.doctrees/interface/binding/hic_constant_water_activity.doctree and b/chore/developer_guide/.doctrees/interface/binding/hic_constant_water_activity.doctree differ
diff --git a/chore/developer_guide/.doctrees/interface/binding/hic_water_on_hydrophobic_surfaces.doctree b/chore/developer_guide/.doctrees/interface/binding/hic_water_on_hydrophobic_surfaces.doctree
index d3b13a71f..74c84d57c 100644
Binary files a/chore/developer_guide/.doctrees/interface/binding/hic_water_on_hydrophobic_surfaces.doctree and b/chore/developer_guide/.doctrees/interface/binding/hic_water_on_hydrophobic_surfaces.doctree differ
diff --git a/chore/developer_guide/.doctrees/interface/binding/index.doctree b/chore/developer_guide/.doctrees/interface/binding/index.doctree
index c07ccc93b..2b4d3f97d 100644
Binary files a/chore/developer_guide/.doctrees/interface/binding/index.doctree and b/chore/developer_guide/.doctrees/interface/binding/index.doctree differ
diff --git a/chore/developer_guide/.doctrees/interface/binding/linear.doctree b/chore/developer_guide/.doctrees/interface/binding/linear.doctree
index a31596f51..7c975f0cb 100644
Binary files a/chore/developer_guide/.doctrees/interface/binding/linear.doctree and b/chore/developer_guide/.doctrees/interface/binding/linear.doctree differ
diff --git a/chore/developer_guide/.doctrees/interface/binding/mobile_phase_modulator_langmuir.doctree b/chore/developer_guide/.doctrees/interface/binding/mobile_phase_modulator_langmuir.doctree
index 0732ffa0b..3baaee28a 100644
Binary files a/chore/developer_guide/.doctrees/interface/binding/mobile_phase_modulator_langmuir.doctree and b/chore/developer_guide/.doctrees/interface/binding/mobile_phase_modulator_langmuir.doctree differ
diff --git a/chore/developer_guide/.doctrees/interface/binding/multi_component_anti_langmuir.doctree b/chore/developer_guide/.doctrees/interface/binding/multi_component_anti_langmuir.doctree
index 137dbe8bd..b097c4cfa 100644
Binary files a/chore/developer_guide/.doctrees/interface/binding/multi_component_anti_langmuir.doctree and b/chore/developer_guide/.doctrees/interface/binding/multi_component_anti_langmuir.doctree differ
diff --git a/chore/developer_guide/.doctrees/interface/binding/multi_component_bi_langmuir.doctree b/chore/developer_guide/.doctrees/interface/binding/multi_component_bi_langmuir.doctree
index d086f31f5..8008c86f5 100644
Binary files a/chore/developer_guide/.doctrees/interface/binding/multi_component_bi_langmuir.doctree and b/chore/developer_guide/.doctrees/interface/binding/multi_component_bi_langmuir.doctree differ
diff --git a/chore/developer_guide/.doctrees/interface/binding/multi_component_bi_langmuir_ldf.doctree b/chore/developer_guide/.doctrees/interface/binding/multi_component_bi_langmuir_ldf.doctree
index 59aa6d646..54618552e 100644
Binary files a/chore/developer_guide/.doctrees/interface/binding/multi_component_bi_langmuir_ldf.doctree and b/chore/developer_guide/.doctrees/interface/binding/multi_component_bi_langmuir_ldf.doctree differ
diff --git a/chore/developer_guide/.doctrees/interface/binding/multi_component_colloidal.doctree b/chore/developer_guide/.doctrees/interface/binding/multi_component_colloidal.doctree
index c9f76db0a..104cd10fd 100644
Binary files a/chore/developer_guide/.doctrees/interface/binding/multi_component_colloidal.doctree and b/chore/developer_guide/.doctrees/interface/binding/multi_component_colloidal.doctree differ
diff --git a/chore/developer_guide/.doctrees/interface/binding/multi_component_langmuir.doctree b/chore/developer_guide/.doctrees/interface/binding/multi_component_langmuir.doctree
index c75942081..b0a580069 100644
Binary files a/chore/developer_guide/.doctrees/interface/binding/multi_component_langmuir.doctree and b/chore/developer_guide/.doctrees/interface/binding/multi_component_langmuir.doctree differ
diff --git a/chore/developer_guide/.doctrees/interface/binding/multi_component_langmuir_ldf.doctree b/chore/developer_guide/.doctrees/interface/binding/multi_component_langmuir_ldf.doctree
index 56986d013..7fd5be39e 100644
Binary files a/chore/developer_guide/.doctrees/interface/binding/multi_component_langmuir_ldf.doctree and b/chore/developer_guide/.doctrees/interface/binding/multi_component_langmuir_ldf.doctree differ
diff --git a/chore/developer_guide/.doctrees/interface/binding/multi_component_langmuir_ldf_liquid_phase.doctree b/chore/developer_guide/.doctrees/interface/binding/multi_component_langmuir_ldf_liquid_phase.doctree
index e0196f556..29c40e9d9 100644
Binary files a/chore/developer_guide/.doctrees/interface/binding/multi_component_langmuir_ldf_liquid_phase.doctree and b/chore/developer_guide/.doctrees/interface/binding/multi_component_langmuir_ldf_liquid_phase.doctree differ
diff --git a/chore/developer_guide/.doctrees/interface/binding/multi_component_spreading.doctree b/chore/developer_guide/.doctrees/interface/binding/multi_component_spreading.doctree
index 31b90013c..6b1a39c8d 100644
Binary files a/chore/developer_guide/.doctrees/interface/binding/multi_component_spreading.doctree and b/chore/developer_guide/.doctrees/interface/binding/multi_component_spreading.doctree differ
diff --git a/chore/developer_guide/.doctrees/interface/binding/multi_state_steric_mass_action.doctree b/chore/developer_guide/.doctrees/interface/binding/multi_state_steric_mass_action.doctree
index 92d4472e5..da7388569 100644
Binary files a/chore/developer_guide/.doctrees/interface/binding/multi_state_steric_mass_action.doctree and b/chore/developer_guide/.doctrees/interface/binding/multi_state_steric_mass_action.doctree differ
diff --git a/chore/developer_guide/.doctrees/interface/binding/saska.doctree b/chore/developer_guide/.doctrees/interface/binding/saska.doctree
index adde72971..b5d95db3e 100644
Binary files a/chore/developer_guide/.doctrees/interface/binding/saska.doctree and b/chore/developer_guide/.doctrees/interface/binding/saska.doctree differ
diff --git a/chore/developer_guide/.doctrees/interface/binding/self_association.doctree b/chore/developer_guide/.doctrees/interface/binding/self_association.doctree
index 735b19558..8019ba0b6 100644
Binary files a/chore/developer_guide/.doctrees/interface/binding/self_association.doctree and b/chore/developer_guide/.doctrees/interface/binding/self_association.doctree differ
diff --git a/chore/developer_guide/.doctrees/interface/binding/simplified_multi_state_steric_mass_action.doctree b/chore/developer_guide/.doctrees/interface/binding/simplified_multi_state_steric_mass_action.doctree
index ab9e917a3..518be1d31 100644
Binary files a/chore/developer_guide/.doctrees/interface/binding/simplified_multi_state_steric_mass_action.doctree and b/chore/developer_guide/.doctrees/interface/binding/simplified_multi_state_steric_mass_action.doctree differ
diff --git a/chore/developer_guide/.doctrees/interface/binding/steric_mass_action.doctree b/chore/developer_guide/.doctrees/interface/binding/steric_mass_action.doctree
index 1ddc54171..e7bcec03f 100644
Binary files a/chore/developer_guide/.doctrees/interface/binding/steric_mass_action.doctree and b/chore/developer_guide/.doctrees/interface/binding/steric_mass_action.doctree differ
diff --git a/chore/developer_guide/.doctrees/interface/consistent_initialization.doctree b/chore/developer_guide/.doctrees/interface/consistent_initialization.doctree
index 15caec6fd..b3ddaa651 100644
Binary files a/chore/developer_guide/.doctrees/interface/consistent_initialization.doctree and b/chore/developer_guide/.doctrees/interface/consistent_initialization.doctree differ
diff --git a/chore/developer_guide/.doctrees/interface/flux_reconstruction.doctree b/chore/developer_guide/.doctrees/interface/flux_reconstruction.doctree
index 164c660ad..1bfb02970 100644
Binary files a/chore/developer_guide/.doctrees/interface/flux_reconstruction.doctree and b/chore/developer_guide/.doctrees/interface/flux_reconstruction.doctree differ
diff --git a/chore/developer_guide/.doctrees/interface/index.doctree b/chore/developer_guide/.doctrees/interface/index.doctree
index e291d3990..7dc234e22 100644
Binary files a/chore/developer_guide/.doctrees/interface/index.doctree and b/chore/developer_guide/.doctrees/interface/index.doctree differ
diff --git a/chore/developer_guide/.doctrees/interface/input_group.doctree b/chore/developer_guide/.doctrees/interface/input_group.doctree
index eaf53b066..b7a8cc05a 100644
Binary files a/chore/developer_guide/.doctrees/interface/input_group.doctree and b/chore/developer_guide/.doctrees/interface/input_group.doctree differ
diff --git a/chore/developer_guide/.doctrees/interface/introduction.doctree b/chore/developer_guide/.doctrees/interface/introduction.doctree
index 58c272bd6..20b647eeb 100644
Binary files a/chore/developer_guide/.doctrees/interface/introduction.doctree and b/chore/developer_guide/.doctrees/interface/introduction.doctree differ
diff --git a/chore/developer_guide/.doctrees/interface/meta_group.doctree b/chore/developer_guide/.doctrees/interface/meta_group.doctree
index 957984c63..1d30e2ad9 100644
Binary files a/chore/developer_guide/.doctrees/interface/meta_group.doctree and b/chore/developer_guide/.doctrees/interface/meta_group.doctree differ
diff --git a/chore/developer_guide/.doctrees/interface/output_group.doctree b/chore/developer_guide/.doctrees/interface/output_group.doctree
index 2bb75ecda..d22007fe3 100644
Binary files a/chore/developer_guide/.doctrees/interface/output_group.doctree and b/chore/developer_guide/.doctrees/interface/output_group.doctree differ
diff --git a/chore/developer_guide/.doctrees/interface/parameter_dependencies.doctree b/chore/developer_guide/.doctrees/interface/parameter_dependencies.doctree
index 6d462828b..e022033ac 100644
Binary files a/chore/developer_guide/.doctrees/interface/parameter_dependencies.doctree and b/chore/developer_guide/.doctrees/interface/parameter_dependencies.doctree differ
diff --git a/chore/developer_guide/.doctrees/interface/reactions.doctree b/chore/developer_guide/.doctrees/interface/reactions.doctree
index ac0a0bd78..437308cca 100644
Binary files a/chore/developer_guide/.doctrees/interface/reactions.doctree and b/chore/developer_guide/.doctrees/interface/reactions.doctree differ
diff --git a/chore/developer_guide/.doctrees/interface/return_data.doctree b/chore/developer_guide/.doctrees/interface/return_data.doctree
index c57c87378..141c1d63e 100644
Binary files a/chore/developer_guide/.doctrees/interface/return_data.doctree and b/chore/developer_guide/.doctrees/interface/return_data.doctree differ
diff --git a/chore/developer_guide/.doctrees/interface/sensitivities.doctree b/chore/developer_guide/.doctrees/interface/sensitivities.doctree
index 13c992b5b..af2b472d9 100644
Binary files a/chore/developer_guide/.doctrees/interface/sensitivities.doctree and b/chore/developer_guide/.doctrees/interface/sensitivities.doctree differ
diff --git a/chore/developer_guide/.doctrees/interface/solver.doctree b/chore/developer_guide/.doctrees/interface/solver.doctree
index 5e766720b..8535cf4bd 100644
Binary files a/chore/developer_guide/.doctrees/interface/solver.doctree and b/chore/developer_guide/.doctrees/interface/solver.doctree differ
diff --git a/chore/developer_guide/.doctrees/interface/spatial_discretization_methods.doctree b/chore/developer_guide/.doctrees/interface/spatial_discretization_methods.doctree
index d73fade47..1aef934d4 100644
Binary files a/chore/developer_guide/.doctrees/interface/spatial_discretization_methods.doctree and b/chore/developer_guide/.doctrees/interface/spatial_discretization_methods.doctree differ
diff --git a/chore/developer_guide/.doctrees/interface/system.doctree b/chore/developer_guide/.doctrees/interface/system.doctree
index 5a287fd83..050424cb6 100644
Binary files a/chore/developer_guide/.doctrees/interface/system.doctree and b/chore/developer_guide/.doctrees/interface/system.doctree differ
diff --git a/chore/developer_guide/.doctrees/interface/unit_operations/2d_general_rate_model.doctree b/chore/developer_guide/.doctrees/interface/unit_operations/2d_general_rate_model.doctree
index 1cce4ef96..1b47d1afd 100644
Binary files a/chore/developer_guide/.doctrees/interface/unit_operations/2d_general_rate_model.doctree and b/chore/developer_guide/.doctrees/interface/unit_operations/2d_general_rate_model.doctree differ
diff --git a/chore/developer_guide/.doctrees/interface/unit_operations/cstr.doctree b/chore/developer_guide/.doctrees/interface/unit_operations/cstr.doctree
index 64cf2803c..6f90a8a6c 100644
Binary files a/chore/developer_guide/.doctrees/interface/unit_operations/cstr.doctree and b/chore/developer_guide/.doctrees/interface/unit_operations/cstr.doctree differ
diff --git a/chore/developer_guide/.doctrees/interface/unit_operations/general_rate_model.doctree b/chore/developer_guide/.doctrees/interface/unit_operations/general_rate_model.doctree
index a6d2ad2e4..dfd46bd58 100644
Binary files a/chore/developer_guide/.doctrees/interface/unit_operations/general_rate_model.doctree and b/chore/developer_guide/.doctrees/interface/unit_operations/general_rate_model.doctree differ
diff --git a/chore/developer_guide/.doctrees/interface/unit_operations/index.doctree b/chore/developer_guide/.doctrees/interface/unit_operations/index.doctree
index 7dbf6c04e..c975935c2 100644
Binary files a/chore/developer_guide/.doctrees/interface/unit_operations/index.doctree and b/chore/developer_guide/.doctrees/interface/unit_operations/index.doctree differ
diff --git a/chore/developer_guide/.doctrees/interface/unit_operations/inlet.doctree b/chore/developer_guide/.doctrees/interface/unit_operations/inlet.doctree
index 0838de2f7..cd962311b 100644
Binary files a/chore/developer_guide/.doctrees/interface/unit_operations/inlet.doctree and b/chore/developer_guide/.doctrees/interface/unit_operations/inlet.doctree differ
diff --git a/chore/developer_guide/.doctrees/interface/unit_operations/lumped_rate_model_with_pores.doctree b/chore/developer_guide/.doctrees/interface/unit_operations/lumped_rate_model_with_pores.doctree
index d38880f8a..552456eaf 100644
Binary files a/chore/developer_guide/.doctrees/interface/unit_operations/lumped_rate_model_with_pores.doctree and b/chore/developer_guide/.doctrees/interface/unit_operations/lumped_rate_model_with_pores.doctree differ
diff --git a/chore/developer_guide/.doctrees/interface/unit_operations/lumped_rate_model_without_pores.doctree b/chore/developer_guide/.doctrees/interface/unit_operations/lumped_rate_model_without_pores.doctree
index af44314b8..8bae8f16a 100644
Binary files a/chore/developer_guide/.doctrees/interface/unit_operations/lumped_rate_model_without_pores.doctree and b/chore/developer_guide/.doctrees/interface/unit_operations/lumped_rate_model_without_pores.doctree differ
diff --git a/chore/developer_guide/.doctrees/interface/unit_operations/multi_channel_transport_model.doctree b/chore/developer_guide/.doctrees/interface/unit_operations/multi_channel_transport_model.doctree
index fe042ea93..1e5a2325c 100644
Binary files a/chore/developer_guide/.doctrees/interface/unit_operations/multi_channel_transport_model.doctree and b/chore/developer_guide/.doctrees/interface/unit_operations/multi_channel_transport_model.doctree differ
diff --git a/chore/developer_guide/.doctrees/interface/unit_operations/outlet.doctree b/chore/developer_guide/.doctrees/interface/unit_operations/outlet.doctree
index c87366c64..51e2577b7 100644
Binary files a/chore/developer_guide/.doctrees/interface/unit_operations/outlet.doctree and b/chore/developer_guide/.doctrees/interface/unit_operations/outlet.doctree differ
diff --git a/chore/developer_guide/.doctrees/interface/unit_operations/radial_flow_models.doctree b/chore/developer_guide/.doctrees/interface/unit_operations/radial_flow_models.doctree
index 1537605f6..61cd6d77e 100644
Binary files a/chore/developer_guide/.doctrees/interface/unit_operations/radial_flow_models.doctree and b/chore/developer_guide/.doctrees/interface/unit_operations/radial_flow_models.doctree differ
diff --git a/chore/developer_guide/.doctrees/license.doctree b/chore/developer_guide/.doctrees/license.doctree
index 2a1e41f7b..8f37b4e78 100644
Binary files a/chore/developer_guide/.doctrees/license.doctree and b/chore/developer_guide/.doctrees/license.doctree differ
diff --git a/chore/developer_guide/.doctrees/modelling/binding/bi_steric_mass_action.doctree b/chore/developer_guide/.doctrees/modelling/binding/bi_steric_mass_action.doctree
index ef1033126..ef2854299 100644
Binary files a/chore/developer_guide/.doctrees/modelling/binding/bi_steric_mass_action.doctree and b/chore/developer_guide/.doctrees/modelling/binding/bi_steric_mass_action.doctree differ
diff --git a/chore/developer_guide/.doctrees/modelling/binding/extended_mobile_phase_modulator_langmuir.doctree b/chore/developer_guide/.doctrees/modelling/binding/extended_mobile_phase_modulator_langmuir.doctree
index cbc95c5d5..a94b60c4a 100644
Binary files a/chore/developer_guide/.doctrees/modelling/binding/extended_mobile_phase_modulator_langmuir.doctree and b/chore/developer_guide/.doctrees/modelling/binding/extended_mobile_phase_modulator_langmuir.doctree differ
diff --git a/chore/developer_guide/.doctrees/modelling/binding/freundlich_ldf.doctree b/chore/developer_guide/.doctrees/modelling/binding/freundlich_ldf.doctree
index d7eecc452..0aa3fc031 100644
Binary files a/chore/developer_guide/.doctrees/modelling/binding/freundlich_ldf.doctree and b/chore/developer_guide/.doctrees/modelling/binding/freundlich_ldf.doctree differ
diff --git a/chore/developer_guide/.doctrees/modelling/binding/generalized_ion_exchange.doctree b/chore/developer_guide/.doctrees/modelling/binding/generalized_ion_exchange.doctree
index 1b05e1797..0a728d7e6 100644
Binary files a/chore/developer_guide/.doctrees/modelling/binding/generalized_ion_exchange.doctree and b/chore/developer_guide/.doctrees/modelling/binding/generalized_ion_exchange.doctree differ
diff --git a/chore/developer_guide/.doctrees/modelling/binding/hic_constant_water_activity.doctree b/chore/developer_guide/.doctrees/modelling/binding/hic_constant_water_activity.doctree
index cba323c5d..ffe17ad7a 100644
Binary files a/chore/developer_guide/.doctrees/modelling/binding/hic_constant_water_activity.doctree and b/chore/developer_guide/.doctrees/modelling/binding/hic_constant_water_activity.doctree differ
diff --git a/chore/developer_guide/.doctrees/modelling/binding/hic_water_on_hydrophobic_surfaces.doctree b/chore/developer_guide/.doctrees/modelling/binding/hic_water_on_hydrophobic_surfaces.doctree
index 1beb1ae03..742b1094b 100644
Binary files a/chore/developer_guide/.doctrees/modelling/binding/hic_water_on_hydrophobic_surfaces.doctree and b/chore/developer_guide/.doctrees/modelling/binding/hic_water_on_hydrophobic_surfaces.doctree differ
diff --git a/chore/developer_guide/.doctrees/modelling/binding/index.doctree b/chore/developer_guide/.doctrees/modelling/binding/index.doctree
index 4ecee10f5..43c8fd454 100644
Binary files a/chore/developer_guide/.doctrees/modelling/binding/index.doctree and b/chore/developer_guide/.doctrees/modelling/binding/index.doctree differ
diff --git a/chore/developer_guide/.doctrees/modelling/binding/linear.doctree b/chore/developer_guide/.doctrees/modelling/binding/linear.doctree
index be86e111b..f20408e86 100644
Binary files a/chore/developer_guide/.doctrees/modelling/binding/linear.doctree and b/chore/developer_guide/.doctrees/modelling/binding/linear.doctree differ
diff --git a/chore/developer_guide/.doctrees/modelling/binding/mobile_phase_modulator_langmuir.doctree b/chore/developer_guide/.doctrees/modelling/binding/mobile_phase_modulator_langmuir.doctree
index d0b7cfe33..750056062 100644
Binary files a/chore/developer_guide/.doctrees/modelling/binding/mobile_phase_modulator_langmuir.doctree and b/chore/developer_guide/.doctrees/modelling/binding/mobile_phase_modulator_langmuir.doctree differ
diff --git a/chore/developer_guide/.doctrees/modelling/binding/multi_component_anti_langmuir.doctree b/chore/developer_guide/.doctrees/modelling/binding/multi_component_anti_langmuir.doctree
index 7b09f932d..ad937ae2f 100644
Binary files a/chore/developer_guide/.doctrees/modelling/binding/multi_component_anti_langmuir.doctree and b/chore/developer_guide/.doctrees/modelling/binding/multi_component_anti_langmuir.doctree differ
diff --git a/chore/developer_guide/.doctrees/modelling/binding/multi_component_bi_langmuir.doctree b/chore/developer_guide/.doctrees/modelling/binding/multi_component_bi_langmuir.doctree
index 607f72e1c..fbf0b08bf 100644
Binary files a/chore/developer_guide/.doctrees/modelling/binding/multi_component_bi_langmuir.doctree and b/chore/developer_guide/.doctrees/modelling/binding/multi_component_bi_langmuir.doctree differ
diff --git a/chore/developer_guide/.doctrees/modelling/binding/multi_component_bi_langmuir_ldf.doctree b/chore/developer_guide/.doctrees/modelling/binding/multi_component_bi_langmuir_ldf.doctree
index 21dea03a5..ba042b98e 100644
Binary files a/chore/developer_guide/.doctrees/modelling/binding/multi_component_bi_langmuir_ldf.doctree and b/chore/developer_guide/.doctrees/modelling/binding/multi_component_bi_langmuir_ldf.doctree differ
diff --git a/chore/developer_guide/.doctrees/modelling/binding/multi_component_colloidal.doctree b/chore/developer_guide/.doctrees/modelling/binding/multi_component_colloidal.doctree
index edef1d102..a01cf546f 100644
Binary files a/chore/developer_guide/.doctrees/modelling/binding/multi_component_colloidal.doctree and b/chore/developer_guide/.doctrees/modelling/binding/multi_component_colloidal.doctree differ
diff --git a/chore/developer_guide/.doctrees/modelling/binding/multi_component_langmuir.doctree b/chore/developer_guide/.doctrees/modelling/binding/multi_component_langmuir.doctree
index f895919f2..f073c3127 100644
Binary files a/chore/developer_guide/.doctrees/modelling/binding/multi_component_langmuir.doctree and b/chore/developer_guide/.doctrees/modelling/binding/multi_component_langmuir.doctree differ
diff --git a/chore/developer_guide/.doctrees/modelling/binding/multi_component_langmuir_ldf.doctree b/chore/developer_guide/.doctrees/modelling/binding/multi_component_langmuir_ldf.doctree
index 5aa94b29e..cdb0cf337 100644
Binary files a/chore/developer_guide/.doctrees/modelling/binding/multi_component_langmuir_ldf.doctree and b/chore/developer_guide/.doctrees/modelling/binding/multi_component_langmuir_ldf.doctree differ
diff --git a/chore/developer_guide/.doctrees/modelling/binding/multi_component_langmuir_ldf_liquid_phase.doctree b/chore/developer_guide/.doctrees/modelling/binding/multi_component_langmuir_ldf_liquid_phase.doctree
index b2c2346ff..989fce501 100644
Binary files a/chore/developer_guide/.doctrees/modelling/binding/multi_component_langmuir_ldf_liquid_phase.doctree and b/chore/developer_guide/.doctrees/modelling/binding/multi_component_langmuir_ldf_liquid_phase.doctree differ
diff --git a/chore/developer_guide/.doctrees/modelling/binding/multi_component_spreading.doctree b/chore/developer_guide/.doctrees/modelling/binding/multi_component_spreading.doctree
index 26e6c491d..310cc0158 100644
Binary files a/chore/developer_guide/.doctrees/modelling/binding/multi_component_spreading.doctree and b/chore/developer_guide/.doctrees/modelling/binding/multi_component_spreading.doctree differ
diff --git a/chore/developer_guide/.doctrees/modelling/binding/multi_state_steric_mass_action.doctree b/chore/developer_guide/.doctrees/modelling/binding/multi_state_steric_mass_action.doctree
index 6e2ab4d45..cb96c5598 100644
Binary files a/chore/developer_guide/.doctrees/modelling/binding/multi_state_steric_mass_action.doctree and b/chore/developer_guide/.doctrees/modelling/binding/multi_state_steric_mass_action.doctree differ
diff --git a/chore/developer_guide/.doctrees/modelling/binding/saska.doctree b/chore/developer_guide/.doctrees/modelling/binding/saska.doctree
index 8c0f2fef4..4bb5fbbe4 100644
Binary files a/chore/developer_guide/.doctrees/modelling/binding/saska.doctree and b/chore/developer_guide/.doctrees/modelling/binding/saska.doctree differ
diff --git a/chore/developer_guide/.doctrees/modelling/binding/self_association.doctree b/chore/developer_guide/.doctrees/modelling/binding/self_association.doctree
index 5f2555a29..dfee2e816 100644
Binary files a/chore/developer_guide/.doctrees/modelling/binding/self_association.doctree and b/chore/developer_guide/.doctrees/modelling/binding/self_association.doctree differ
diff --git a/chore/developer_guide/.doctrees/modelling/binding/simplified_multi_state_steric_mass_action.doctree b/chore/developer_guide/.doctrees/modelling/binding/simplified_multi_state_steric_mass_action.doctree
index 319d09189..8529bafac 100644
Binary files a/chore/developer_guide/.doctrees/modelling/binding/simplified_multi_state_steric_mass_action.doctree and b/chore/developer_guide/.doctrees/modelling/binding/simplified_multi_state_steric_mass_action.doctree differ
diff --git a/chore/developer_guide/.doctrees/modelling/binding/steric_mass_action.doctree b/chore/developer_guide/.doctrees/modelling/binding/steric_mass_action.doctree
index 7735d9213..7ecf52b1b 100644
Binary files a/chore/developer_guide/.doctrees/modelling/binding/steric_mass_action.doctree and b/chore/developer_guide/.doctrees/modelling/binding/steric_mass_action.doctree differ
diff --git a/chore/developer_guide/.doctrees/modelling/index.doctree b/chore/developer_guide/.doctrees/modelling/index.doctree
index d34da3b2d..0ea4c31ca 100644
Binary files a/chore/developer_guide/.doctrees/modelling/index.doctree and b/chore/developer_guide/.doctrees/modelling/index.doctree differ
diff --git a/chore/developer_guide/.doctrees/modelling/networks.doctree b/chore/developer_guide/.doctrees/modelling/networks.doctree
index d406871b5..3e74e538f 100644
Binary files a/chore/developer_guide/.doctrees/modelling/networks.doctree and b/chore/developer_guide/.doctrees/modelling/networks.doctree differ
diff --git a/chore/developer_guide/.doctrees/modelling/reactions.doctree b/chore/developer_guide/.doctrees/modelling/reactions.doctree
index 931720a80..f2d6f60a4 100644
Binary files a/chore/developer_guide/.doctrees/modelling/reactions.doctree and b/chore/developer_guide/.doctrees/modelling/reactions.doctree differ
diff --git a/chore/developer_guide/.doctrees/modelling/unit_operations/2d_general_rate_model.doctree b/chore/developer_guide/.doctrees/modelling/unit_operations/2d_general_rate_model.doctree
index 3ccb711e2..a65fe7316 100644
Binary files a/chore/developer_guide/.doctrees/modelling/unit_operations/2d_general_rate_model.doctree and b/chore/developer_guide/.doctrees/modelling/unit_operations/2d_general_rate_model.doctree differ
diff --git a/chore/developer_guide/.doctrees/modelling/unit_operations/cstr.doctree b/chore/developer_guide/.doctrees/modelling/unit_operations/cstr.doctree
index 152bf2e9a..e6d69cc9e 100644
Binary files a/chore/developer_guide/.doctrees/modelling/unit_operations/cstr.doctree and b/chore/developer_guide/.doctrees/modelling/unit_operations/cstr.doctree differ
diff --git a/chore/developer_guide/.doctrees/modelling/unit_operations/general_rate_model.doctree b/chore/developer_guide/.doctrees/modelling/unit_operations/general_rate_model.doctree
index d7bb69fdd..c10230a6a 100644
Binary files a/chore/developer_guide/.doctrees/modelling/unit_operations/general_rate_model.doctree and b/chore/developer_guide/.doctrees/modelling/unit_operations/general_rate_model.doctree differ
diff --git a/chore/developer_guide/.doctrees/modelling/unit_operations/index.doctree b/chore/developer_guide/.doctrees/modelling/unit_operations/index.doctree
index 49eeb86f4..06385d428 100644
Binary files a/chore/developer_guide/.doctrees/modelling/unit_operations/index.doctree and b/chore/developer_guide/.doctrees/modelling/unit_operations/index.doctree differ
diff --git a/chore/developer_guide/.doctrees/modelling/unit_operations/inlet.doctree b/chore/developer_guide/.doctrees/modelling/unit_operations/inlet.doctree
index b702fe517..eba542ce6 100644
Binary files a/chore/developer_guide/.doctrees/modelling/unit_operations/inlet.doctree and b/chore/developer_guide/.doctrees/modelling/unit_operations/inlet.doctree differ
diff --git a/chore/developer_guide/.doctrees/modelling/unit_operations/lumped_rate_model_with_pores.doctree b/chore/developer_guide/.doctrees/modelling/unit_operations/lumped_rate_model_with_pores.doctree
index 8daab78f6..588a05683 100644
Binary files a/chore/developer_guide/.doctrees/modelling/unit_operations/lumped_rate_model_with_pores.doctree and b/chore/developer_guide/.doctrees/modelling/unit_operations/lumped_rate_model_with_pores.doctree differ
diff --git a/chore/developer_guide/.doctrees/modelling/unit_operations/lumped_rate_model_without_pores.doctree b/chore/developer_guide/.doctrees/modelling/unit_operations/lumped_rate_model_without_pores.doctree
index da8661ed8..a341ee179 100644
Binary files a/chore/developer_guide/.doctrees/modelling/unit_operations/lumped_rate_model_without_pores.doctree and b/chore/developer_guide/.doctrees/modelling/unit_operations/lumped_rate_model_without_pores.doctree differ
diff --git a/chore/developer_guide/.doctrees/modelling/unit_operations/multi_channel_transport_model.doctree b/chore/developer_guide/.doctrees/modelling/unit_operations/multi_channel_transport_model.doctree
index 8b087b2c1..fcf3c8d5c 100644
Binary files a/chore/developer_guide/.doctrees/modelling/unit_operations/multi_channel_transport_model.doctree and b/chore/developer_guide/.doctrees/modelling/unit_operations/multi_channel_transport_model.doctree differ
diff --git a/chore/developer_guide/.doctrees/modelling/unit_operations/outlet.doctree b/chore/developer_guide/.doctrees/modelling/unit_operations/outlet.doctree
index 83554f153..d20098bfb 100644
Binary files a/chore/developer_guide/.doctrees/modelling/unit_operations/outlet.doctree and b/chore/developer_guide/.doctrees/modelling/unit_operations/outlet.doctree differ
diff --git a/chore/developer_guide/.doctrees/requirements.doctree b/chore/developer_guide/.doctrees/requirements.doctree
index a69814be2..6df95eacf 100644
Binary files a/chore/developer_guide/.doctrees/requirements.doctree and b/chore/developer_guide/.doctrees/requirements.doctree differ
diff --git a/chore/developer_guide/.doctrees/simulation/index.doctree b/chore/developer_guide/.doctrees/simulation/index.doctree
index c12fc7390..01fdf6ec7 100644
Binary files a/chore/developer_guide/.doctrees/simulation/index.doctree and b/chore/developer_guide/.doctrees/simulation/index.doctree differ
diff --git a/chore/developer_guide/.doctrees/zbibliography.doctree b/chore/developer_guide/.doctrees/zbibliography.doctree
index 59f4eb8fd..70f07f2b5 100644
Binary files a/chore/developer_guide/.doctrees/zbibliography.doctree and b/chore/developer_guide/.doctrees/zbibliography.doctree differ
diff --git a/master/.buildinfo b/master/.buildinfo
index 2e781ea5a..35aac6b1e 100644
--- a/master/.buildinfo
+++ b/master/.buildinfo
@@ -1,4 +1,4 @@
 # Sphinx build info version 1
 # This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done.
-config: 0f144e7c4f0afc7d5917d71da602aec2
+config: 017e99ab9b2fff4c1ca2b63d840f7efb
 tags: 645f666f9bcd5a90fca523b33c5a78b7
diff --git a/master/.doctrees/README.doctree b/master/.doctrees/README.doctree
index 615147dce..a182d2c0f 100644
Binary files a/master/.doctrees/README.doctree and b/master/.doctrees/README.doctree differ
diff --git a/master/.doctrees/developer_guide/build_options.doctree b/master/.doctrees/developer_guide/build_options.doctree
index 41ef0f64d..1bfdd2405 100644
Binary files a/master/.doctrees/developer_guide/build_options.doctree and b/master/.doctrees/developer_guide/build_options.doctree differ
diff --git a/master/.doctrees/developer_guide/cadet_core_architecture.doctree b/master/.doctrees/developer_guide/cadet_core_architecture.doctree
index ca1fca2cd..547bca491 100644
Binary files a/master/.doctrees/developer_guide/cadet_core_architecture.doctree and b/master/.doctrees/developer_guide/cadet_core_architecture.doctree differ
diff --git a/master/.doctrees/developer_guide/cadet_python.doctree b/master/.doctrees/developer_guide/cadet_python.doctree
index da19244e2..5e0974dd2 100644
Binary files a/master/.doctrees/developer_guide/cadet_python.doctree and b/master/.doctrees/developer_guide/cadet_python.doctree differ
diff --git a/master/.doctrees/developer_guide/debugging.doctree b/master/.doctrees/developer_guide/debugging.doctree
index 10947224d..4d5ec94bb 100644
Binary files a/master/.doctrees/developer_guide/debugging.doctree and b/master/.doctrees/developer_guide/debugging.doctree differ
diff --git a/master/.doctrees/developer_guide/index.doctree b/master/.doctrees/developer_guide/index.doctree
index 32b3f0642..4d10dffbd 100644
Binary files a/master/.doctrees/developer_guide/index.doctree and b/master/.doctrees/developer_guide/index.doctree differ
diff --git a/master/.doctrees/developer_guide/model_expansion.doctree b/master/.doctrees/developer_guide/model_expansion.doctree
index fbc30aa38..cc6e7c5f1 100644
Binary files a/master/.doctrees/developer_guide/model_expansion.doctree and b/master/.doctrees/developer_guide/model_expansion.doctree differ
diff --git a/master/.doctrees/developer_guide/testing.doctree b/master/.doctrees/developer_guide/testing.doctree
index e5cb612e3..ba78e7e64 100644
Binary files a/master/.doctrees/developer_guide/testing.doctree and b/master/.doctrees/developer_guide/testing.doctree differ
diff --git a/master/.doctrees/environment.pickle b/master/.doctrees/environment.pickle
index 7a2236a29..5a278f307 100644
Binary files a/master/.doctrees/environment.pickle and b/master/.doctrees/environment.pickle differ
diff --git a/master/.doctrees/examples/batch_chromatography.doctree b/master/.doctrees/examples/batch_chromatography.doctree
index d4579aef4..9311f024a 100644
Binary files a/master/.doctrees/examples/batch_chromatography.doctree and b/master/.doctrees/examples/batch_chromatography.doctree differ
diff --git a/master/.doctrees/examples/index.doctree b/master/.doctrees/examples/index.doctree
index bedb334f5..bcce8a354 100644
Binary files a/master/.doctrees/examples/index.doctree and b/master/.doctrees/examples/index.doctree differ
diff --git a/master/.doctrees/examples/load_wash_elute.doctree b/master/.doctrees/examples/load_wash_elute.doctree
index 493d09697..124b9b013 100644
Binary files a/master/.doctrees/examples/load_wash_elute.doctree and b/master/.doctrees/examples/load_wash_elute.doctree differ
diff --git a/master/.doctrees/examples/reaction_cstr.doctree b/master/.doctrees/examples/reaction_cstr.doctree
index 62205c6ad..41c6709e2 100644
Binary files a/master/.doctrees/examples/reaction_cstr.doctree and b/master/.doctrees/examples/reaction_cstr.doctree differ
diff --git a/master/.doctrees/examples/rtd.doctree b/master/.doctrees/examples/rtd.doctree
index ed9b7286a..cfa78356c 100644
Binary files a/master/.doctrees/examples/rtd.doctree and b/master/.doctrees/examples/rtd.doctree differ
diff --git a/master/.doctrees/getting_started/build_linux.doctree b/master/.doctrees/getting_started/build_linux.doctree
index 45df338d9..963b37600 100644
Binary files a/master/.doctrees/getting_started/build_linux.doctree and b/master/.doctrees/getting_started/build_linux.doctree differ
diff --git a/master/.doctrees/getting_started/build_osx.doctree b/master/.doctrees/getting_started/build_osx.doctree
index 809edf002..162644ad5 100644
Binary files a/master/.doctrees/getting_started/build_osx.doctree and b/master/.doctrees/getting_started/build_osx.doctree differ
diff --git a/master/.doctrees/getting_started/build_windows.doctree b/master/.doctrees/getting_started/build_windows.doctree
index dd15be46a..8b296a4dd 100644
Binary files a/master/.doctrees/getting_started/build_windows.doctree and b/master/.doctrees/getting_started/build_windows.doctree differ
diff --git a/master/.doctrees/getting_started/index.doctree b/master/.doctrees/getting_started/index.doctree
index 4be16ef22..02f11d676 100644
Binary files a/master/.doctrees/getting_started/index.doctree and b/master/.doctrees/getting_started/index.doctree differ
diff --git a/master/.doctrees/getting_started/installation.doctree b/master/.doctrees/getting_started/installation.doctree
index 51a89ac5d..76e138399 100644
Binary files a/master/.doctrees/getting_started/installation.doctree and b/master/.doctrees/getting_started/installation.doctree differ
diff --git a/master/.doctrees/getting_started/tutorials/breakthrough.doctree b/master/.doctrees/getting_started/tutorials/breakthrough.doctree
index 2450e3577..78b189f98 100644
Binary files a/master/.doctrees/getting_started/tutorials/breakthrough.doctree and b/master/.doctrees/getting_started/tutorials/breakthrough.doctree differ
diff --git a/master/.doctrees/index.doctree b/master/.doctrees/index.doctree
index 4e37ff4d8..0b6546632 100644
Binary files a/master/.doctrees/index.doctree and b/master/.doctrees/index.doctree differ
diff --git a/master/.doctrees/interface/binding/bi_steric_mass_action.doctree b/master/.doctrees/interface/binding/bi_steric_mass_action.doctree
index f598d6a88..8a4b98e5a 100644
Binary files a/master/.doctrees/interface/binding/bi_steric_mass_action.doctree and b/master/.doctrees/interface/binding/bi_steric_mass_action.doctree differ
diff --git a/master/.doctrees/interface/binding/extended_mobile_phase_modulator_langmuir.doctree b/master/.doctrees/interface/binding/extended_mobile_phase_modulator_langmuir.doctree
index 008d36e94..f2365bfbd 100644
Binary files a/master/.doctrees/interface/binding/extended_mobile_phase_modulator_langmuir.doctree and b/master/.doctrees/interface/binding/extended_mobile_phase_modulator_langmuir.doctree differ
diff --git a/master/.doctrees/interface/binding/freundlich_ldf.doctree b/master/.doctrees/interface/binding/freundlich_ldf.doctree
index 5f9c701ec..d4d844574 100644
Binary files a/master/.doctrees/interface/binding/freundlich_ldf.doctree and b/master/.doctrees/interface/binding/freundlich_ldf.doctree differ
diff --git a/master/.doctrees/interface/binding/generalized_ion_exchange.doctree b/master/.doctrees/interface/binding/generalized_ion_exchange.doctree
index b0b67e65c..5d38ee274 100644
Binary files a/master/.doctrees/interface/binding/generalized_ion_exchange.doctree and b/master/.doctrees/interface/binding/generalized_ion_exchange.doctree differ
diff --git a/master/.doctrees/interface/binding/hic_constant_water_activity.doctree b/master/.doctrees/interface/binding/hic_constant_water_activity.doctree
index 8ffb9defd..7d97ba5e8 100644
Binary files a/master/.doctrees/interface/binding/hic_constant_water_activity.doctree and b/master/.doctrees/interface/binding/hic_constant_water_activity.doctree differ
diff --git a/master/.doctrees/interface/binding/hic_water_on_hydrophobic_surfaces.doctree b/master/.doctrees/interface/binding/hic_water_on_hydrophobic_surfaces.doctree
index 487ffecec..0ed766222 100644
Binary files a/master/.doctrees/interface/binding/hic_water_on_hydrophobic_surfaces.doctree and b/master/.doctrees/interface/binding/hic_water_on_hydrophobic_surfaces.doctree differ
diff --git a/master/.doctrees/interface/binding/index.doctree b/master/.doctrees/interface/binding/index.doctree
index 2235f9ea5..e3dc6b6cf 100644
Binary files a/master/.doctrees/interface/binding/index.doctree and b/master/.doctrees/interface/binding/index.doctree differ
diff --git a/master/.doctrees/interface/binding/linear.doctree b/master/.doctrees/interface/binding/linear.doctree
index fb07e9858..33f57bf7c 100644
Binary files a/master/.doctrees/interface/binding/linear.doctree and b/master/.doctrees/interface/binding/linear.doctree differ
diff --git a/master/.doctrees/interface/binding/mobile_phase_modulator_langmuir.doctree b/master/.doctrees/interface/binding/mobile_phase_modulator_langmuir.doctree
index 1712efc57..5f48ef689 100644
Binary files a/master/.doctrees/interface/binding/mobile_phase_modulator_langmuir.doctree and b/master/.doctrees/interface/binding/mobile_phase_modulator_langmuir.doctree differ
diff --git a/master/.doctrees/interface/binding/multi_component_anti_langmuir.doctree b/master/.doctrees/interface/binding/multi_component_anti_langmuir.doctree
index df130f751..e1abbf649 100644
Binary files a/master/.doctrees/interface/binding/multi_component_anti_langmuir.doctree and b/master/.doctrees/interface/binding/multi_component_anti_langmuir.doctree differ
diff --git a/master/.doctrees/interface/binding/multi_component_bi_langmuir.doctree b/master/.doctrees/interface/binding/multi_component_bi_langmuir.doctree
index 6fe662b52..0a22b6bd9 100644
Binary files a/master/.doctrees/interface/binding/multi_component_bi_langmuir.doctree and b/master/.doctrees/interface/binding/multi_component_bi_langmuir.doctree differ
diff --git a/master/.doctrees/interface/binding/multi_component_bi_langmuir_ldf.doctree b/master/.doctrees/interface/binding/multi_component_bi_langmuir_ldf.doctree
index 7c2c47d9a..c1a69b41d 100644
Binary files a/master/.doctrees/interface/binding/multi_component_bi_langmuir_ldf.doctree and b/master/.doctrees/interface/binding/multi_component_bi_langmuir_ldf.doctree differ
diff --git a/master/.doctrees/interface/binding/multi_component_colloidal.doctree b/master/.doctrees/interface/binding/multi_component_colloidal.doctree
index 4772f66c3..b6561dcbf 100644
Binary files a/master/.doctrees/interface/binding/multi_component_colloidal.doctree and b/master/.doctrees/interface/binding/multi_component_colloidal.doctree differ
diff --git a/master/.doctrees/interface/binding/multi_component_langmuir.doctree b/master/.doctrees/interface/binding/multi_component_langmuir.doctree
index 5ac833b13..834b2fc65 100644
Binary files a/master/.doctrees/interface/binding/multi_component_langmuir.doctree and b/master/.doctrees/interface/binding/multi_component_langmuir.doctree differ
diff --git a/master/.doctrees/interface/binding/multi_component_langmuir_ldf.doctree b/master/.doctrees/interface/binding/multi_component_langmuir_ldf.doctree
index 8d2b9acd8..055821c07 100644
Binary files a/master/.doctrees/interface/binding/multi_component_langmuir_ldf.doctree and b/master/.doctrees/interface/binding/multi_component_langmuir_ldf.doctree differ
diff --git a/master/.doctrees/interface/binding/multi_component_langmuir_ldf_liquid_phase.doctree b/master/.doctrees/interface/binding/multi_component_langmuir_ldf_liquid_phase.doctree
index 418d03a86..7a110d298 100644
Binary files a/master/.doctrees/interface/binding/multi_component_langmuir_ldf_liquid_phase.doctree and b/master/.doctrees/interface/binding/multi_component_langmuir_ldf_liquid_phase.doctree differ
diff --git a/master/.doctrees/interface/binding/multi_component_spreading.doctree b/master/.doctrees/interface/binding/multi_component_spreading.doctree
index 030caa86c..b66587d30 100644
Binary files a/master/.doctrees/interface/binding/multi_component_spreading.doctree and b/master/.doctrees/interface/binding/multi_component_spreading.doctree differ
diff --git a/master/.doctrees/interface/binding/multi_state_steric_mass_action.doctree b/master/.doctrees/interface/binding/multi_state_steric_mass_action.doctree
index dfd4e2387..c1e3fbfa6 100644
Binary files a/master/.doctrees/interface/binding/multi_state_steric_mass_action.doctree and b/master/.doctrees/interface/binding/multi_state_steric_mass_action.doctree differ
diff --git a/master/.doctrees/interface/binding/saska.doctree b/master/.doctrees/interface/binding/saska.doctree
index d60f9beaa..e56cdc046 100644
Binary files a/master/.doctrees/interface/binding/saska.doctree and b/master/.doctrees/interface/binding/saska.doctree differ
diff --git a/master/.doctrees/interface/binding/self_association.doctree b/master/.doctrees/interface/binding/self_association.doctree
index 6ac75152c..a8c384aff 100644
Binary files a/master/.doctrees/interface/binding/self_association.doctree and b/master/.doctrees/interface/binding/self_association.doctree differ
diff --git a/master/.doctrees/interface/binding/simplified_multi_state_steric_mass_action.doctree b/master/.doctrees/interface/binding/simplified_multi_state_steric_mass_action.doctree
index 19bb8bb88..dfb0c6161 100644
Binary files a/master/.doctrees/interface/binding/simplified_multi_state_steric_mass_action.doctree and b/master/.doctrees/interface/binding/simplified_multi_state_steric_mass_action.doctree differ
diff --git a/master/.doctrees/interface/binding/steric_mass_action.doctree b/master/.doctrees/interface/binding/steric_mass_action.doctree
index 8a2a821e2..83bbae994 100644
Binary files a/master/.doctrees/interface/binding/steric_mass_action.doctree and b/master/.doctrees/interface/binding/steric_mass_action.doctree differ
diff --git a/master/.doctrees/interface/consistent_initialization.doctree b/master/.doctrees/interface/consistent_initialization.doctree
index 4cba42713..54a1eabf4 100644
Binary files a/master/.doctrees/interface/consistent_initialization.doctree and b/master/.doctrees/interface/consistent_initialization.doctree differ
diff --git a/master/.doctrees/interface/flux_reconstruction.doctree b/master/.doctrees/interface/flux_reconstruction.doctree
index b791c27df..04fbca21c 100644
Binary files a/master/.doctrees/interface/flux_reconstruction.doctree and b/master/.doctrees/interface/flux_reconstruction.doctree differ
diff --git a/master/.doctrees/interface/index.doctree b/master/.doctrees/interface/index.doctree
index f1075c3ba..e860efcb5 100644
Binary files a/master/.doctrees/interface/index.doctree and b/master/.doctrees/interface/index.doctree differ
diff --git a/master/.doctrees/interface/input_group.doctree b/master/.doctrees/interface/input_group.doctree
index 6826e1ba7..93e0af83c 100644
Binary files a/master/.doctrees/interface/input_group.doctree and b/master/.doctrees/interface/input_group.doctree differ
diff --git a/master/.doctrees/interface/introduction.doctree b/master/.doctrees/interface/introduction.doctree
index c021ea3e9..9e6a9a3ac 100644
Binary files a/master/.doctrees/interface/introduction.doctree and b/master/.doctrees/interface/introduction.doctree differ
diff --git a/master/.doctrees/interface/meta_group.doctree b/master/.doctrees/interface/meta_group.doctree
index c1de58569..6d2671d18 100644
Binary files a/master/.doctrees/interface/meta_group.doctree and b/master/.doctrees/interface/meta_group.doctree differ
diff --git a/master/.doctrees/interface/output_group.doctree b/master/.doctrees/interface/output_group.doctree
index 1b8c82a87..767b94557 100644
Binary files a/master/.doctrees/interface/output_group.doctree and b/master/.doctrees/interface/output_group.doctree differ
diff --git a/master/.doctrees/interface/parameter_dependencies.doctree b/master/.doctrees/interface/parameter_dependencies.doctree
index 98e6cbc57..4467dee4f 100644
Binary files a/master/.doctrees/interface/parameter_dependencies.doctree and b/master/.doctrees/interface/parameter_dependencies.doctree differ
diff --git a/master/.doctrees/interface/reaction/index.doctree b/master/.doctrees/interface/reaction/index.doctree
index 92c711dcd..b8cd2bc51 100644
Binary files a/master/.doctrees/interface/reaction/index.doctree and b/master/.doctrees/interface/reaction/index.doctree differ
diff --git a/master/.doctrees/interface/reaction/mass_action_law.doctree b/master/.doctrees/interface/reaction/mass_action_law.doctree
index e6f99578d..d9b5e80a3 100644
Binary files a/master/.doctrees/interface/reaction/mass_action_law.doctree and b/master/.doctrees/interface/reaction/mass_action_law.doctree differ
diff --git a/master/.doctrees/interface/reaction/michaelis_menten_kinetics.doctree b/master/.doctrees/interface/reaction/michaelis_menten_kinetics.doctree
index eb5dbd042..ab4da6b61 100644
Binary files a/master/.doctrees/interface/reaction/michaelis_menten_kinetics.doctree and b/master/.doctrees/interface/reaction/michaelis_menten_kinetics.doctree differ
diff --git a/master/.doctrees/interface/return_data.doctree b/master/.doctrees/interface/return_data.doctree
index fe6d86012..52f4190d1 100644
Binary files a/master/.doctrees/interface/return_data.doctree and b/master/.doctrees/interface/return_data.doctree differ
diff --git a/master/.doctrees/interface/sensitivities.doctree b/master/.doctrees/interface/sensitivities.doctree
index 61f7c7137..faddca304 100644
Binary files a/master/.doctrees/interface/sensitivities.doctree and b/master/.doctrees/interface/sensitivities.doctree differ
diff --git a/master/.doctrees/interface/solver.doctree b/master/.doctrees/interface/solver.doctree
index ddfb74760..a01be1a35 100644
Binary files a/master/.doctrees/interface/solver.doctree and b/master/.doctrees/interface/solver.doctree differ
diff --git a/master/.doctrees/interface/spatial_discretization_methods.doctree b/master/.doctrees/interface/spatial_discretization_methods.doctree
index 77f603acb..4db27c54d 100644
Binary files a/master/.doctrees/interface/spatial_discretization_methods.doctree and b/master/.doctrees/interface/spatial_discretization_methods.doctree differ
diff --git a/master/.doctrees/interface/system.doctree b/master/.doctrees/interface/system.doctree
index 3c554db97..f6377b9af 100644
Binary files a/master/.doctrees/interface/system.doctree and b/master/.doctrees/interface/system.doctree differ
diff --git a/master/.doctrees/interface/unit_operations/2d_general_rate_model.doctree b/master/.doctrees/interface/unit_operations/2d_general_rate_model.doctree
index 5561a6b00..39fc9e55f 100644
Binary files a/master/.doctrees/interface/unit_operations/2d_general_rate_model.doctree and b/master/.doctrees/interface/unit_operations/2d_general_rate_model.doctree differ
diff --git a/master/.doctrees/interface/unit_operations/cstr.doctree b/master/.doctrees/interface/unit_operations/cstr.doctree
index d7be3bdab..88bf99b4a 100644
Binary files a/master/.doctrees/interface/unit_operations/cstr.doctree and b/master/.doctrees/interface/unit_operations/cstr.doctree differ
diff --git a/master/.doctrees/interface/unit_operations/general_rate_model.doctree b/master/.doctrees/interface/unit_operations/general_rate_model.doctree
index 322f224db..d65b50358 100644
Binary files a/master/.doctrees/interface/unit_operations/general_rate_model.doctree and b/master/.doctrees/interface/unit_operations/general_rate_model.doctree differ
diff --git a/master/.doctrees/interface/unit_operations/index.doctree b/master/.doctrees/interface/unit_operations/index.doctree
index 6f61d00f5..bfd840681 100644
Binary files a/master/.doctrees/interface/unit_operations/index.doctree and b/master/.doctrees/interface/unit_operations/index.doctree differ
diff --git a/master/.doctrees/interface/unit_operations/inlet.doctree b/master/.doctrees/interface/unit_operations/inlet.doctree
index 70d3d992b..9a78dfd1c 100644
Binary files a/master/.doctrees/interface/unit_operations/inlet.doctree and b/master/.doctrees/interface/unit_operations/inlet.doctree differ
diff --git a/master/.doctrees/interface/unit_operations/lumped_rate_model_with_pores.doctree b/master/.doctrees/interface/unit_operations/lumped_rate_model_with_pores.doctree
index 9af092142..930953986 100644
Binary files a/master/.doctrees/interface/unit_operations/lumped_rate_model_with_pores.doctree and b/master/.doctrees/interface/unit_operations/lumped_rate_model_with_pores.doctree differ
diff --git a/master/.doctrees/interface/unit_operations/lumped_rate_model_without_pores.doctree b/master/.doctrees/interface/unit_operations/lumped_rate_model_without_pores.doctree
index c08a74be0..7c545ffc2 100644
Binary files a/master/.doctrees/interface/unit_operations/lumped_rate_model_without_pores.doctree and b/master/.doctrees/interface/unit_operations/lumped_rate_model_without_pores.doctree differ
diff --git a/master/.doctrees/interface/unit_operations/multi_channel_transport_model.doctree b/master/.doctrees/interface/unit_operations/multi_channel_transport_model.doctree
index 18b56e89a..f16961fd7 100644
Binary files a/master/.doctrees/interface/unit_operations/multi_channel_transport_model.doctree and b/master/.doctrees/interface/unit_operations/multi_channel_transport_model.doctree differ
diff --git a/master/.doctrees/interface/unit_operations/outlet.doctree b/master/.doctrees/interface/unit_operations/outlet.doctree
index 8037a8455..c862da876 100644
Binary files a/master/.doctrees/interface/unit_operations/outlet.doctree and b/master/.doctrees/interface/unit_operations/outlet.doctree differ
diff --git a/master/.doctrees/interface/unit_operations/radial_flow_models.doctree b/master/.doctrees/interface/unit_operations/radial_flow_models.doctree
index e1f4a7c73..a8dcaa2ba 100644
Binary files a/master/.doctrees/interface/unit_operations/radial_flow_models.doctree and b/master/.doctrees/interface/unit_operations/radial_flow_models.doctree differ
diff --git a/master/.doctrees/license.doctree b/master/.doctrees/license.doctree
index 136413aae..c58aeafea 100644
Binary files a/master/.doctrees/license.doctree and b/master/.doctrees/license.doctree differ
diff --git a/master/.doctrees/modelling/binding/bi_steric_mass_action.doctree b/master/.doctrees/modelling/binding/bi_steric_mass_action.doctree
index 6408b2cbe..9eebaae6b 100644
Binary files a/master/.doctrees/modelling/binding/bi_steric_mass_action.doctree and b/master/.doctrees/modelling/binding/bi_steric_mass_action.doctree differ
diff --git a/master/.doctrees/modelling/binding/extended_mobile_phase_modulator_langmuir.doctree b/master/.doctrees/modelling/binding/extended_mobile_phase_modulator_langmuir.doctree
index 75c8ad3b7..d07ed9e74 100644
Binary files a/master/.doctrees/modelling/binding/extended_mobile_phase_modulator_langmuir.doctree and b/master/.doctrees/modelling/binding/extended_mobile_phase_modulator_langmuir.doctree differ
diff --git a/master/.doctrees/modelling/binding/freundlich_ldf.doctree b/master/.doctrees/modelling/binding/freundlich_ldf.doctree
index 845f83912..e3b386258 100644
Binary files a/master/.doctrees/modelling/binding/freundlich_ldf.doctree and b/master/.doctrees/modelling/binding/freundlich_ldf.doctree differ
diff --git a/master/.doctrees/modelling/binding/generalized_ion_exchange.doctree b/master/.doctrees/modelling/binding/generalized_ion_exchange.doctree
index d7881d953..13c809387 100644
Binary files a/master/.doctrees/modelling/binding/generalized_ion_exchange.doctree and b/master/.doctrees/modelling/binding/generalized_ion_exchange.doctree differ
diff --git a/master/.doctrees/modelling/binding/hic_constant_water_activity.doctree b/master/.doctrees/modelling/binding/hic_constant_water_activity.doctree
index c24468c0a..623c52614 100644
Binary files a/master/.doctrees/modelling/binding/hic_constant_water_activity.doctree and b/master/.doctrees/modelling/binding/hic_constant_water_activity.doctree differ
diff --git a/master/.doctrees/modelling/binding/hic_water_on_hydrophobic_surfaces.doctree b/master/.doctrees/modelling/binding/hic_water_on_hydrophobic_surfaces.doctree
index 98862b27d..7aff4e7c4 100644
Binary files a/master/.doctrees/modelling/binding/hic_water_on_hydrophobic_surfaces.doctree and b/master/.doctrees/modelling/binding/hic_water_on_hydrophobic_surfaces.doctree differ
diff --git a/master/.doctrees/modelling/binding/index.doctree b/master/.doctrees/modelling/binding/index.doctree
index 6fd7fd7a2..581ccd6a6 100644
Binary files a/master/.doctrees/modelling/binding/index.doctree and b/master/.doctrees/modelling/binding/index.doctree differ
diff --git a/master/.doctrees/modelling/binding/linear.doctree b/master/.doctrees/modelling/binding/linear.doctree
index d7693bfba..60d6fbddc 100644
Binary files a/master/.doctrees/modelling/binding/linear.doctree and b/master/.doctrees/modelling/binding/linear.doctree differ
diff --git a/master/.doctrees/modelling/binding/mobile_phase_modulator_langmuir.doctree b/master/.doctrees/modelling/binding/mobile_phase_modulator_langmuir.doctree
index 6f9a2dfb7..12d665789 100644
Binary files a/master/.doctrees/modelling/binding/mobile_phase_modulator_langmuir.doctree and b/master/.doctrees/modelling/binding/mobile_phase_modulator_langmuir.doctree differ
diff --git a/master/.doctrees/modelling/binding/multi_component_anti_langmuir.doctree b/master/.doctrees/modelling/binding/multi_component_anti_langmuir.doctree
index 4eae254d8..4d5474fa0 100644
Binary files a/master/.doctrees/modelling/binding/multi_component_anti_langmuir.doctree and b/master/.doctrees/modelling/binding/multi_component_anti_langmuir.doctree differ
diff --git a/master/.doctrees/modelling/binding/multi_component_bi_langmuir.doctree b/master/.doctrees/modelling/binding/multi_component_bi_langmuir.doctree
index 313750df0..da919d6ea 100644
Binary files a/master/.doctrees/modelling/binding/multi_component_bi_langmuir.doctree and b/master/.doctrees/modelling/binding/multi_component_bi_langmuir.doctree differ
diff --git a/master/.doctrees/modelling/binding/multi_component_bi_langmuir_ldf.doctree b/master/.doctrees/modelling/binding/multi_component_bi_langmuir_ldf.doctree
index 3c1f11525..0ee4d3096 100644
Binary files a/master/.doctrees/modelling/binding/multi_component_bi_langmuir_ldf.doctree and b/master/.doctrees/modelling/binding/multi_component_bi_langmuir_ldf.doctree differ
diff --git a/master/.doctrees/modelling/binding/multi_component_colloidal.doctree b/master/.doctrees/modelling/binding/multi_component_colloidal.doctree
index 4a6da59af..04da9520f 100644
Binary files a/master/.doctrees/modelling/binding/multi_component_colloidal.doctree and b/master/.doctrees/modelling/binding/multi_component_colloidal.doctree differ
diff --git a/master/.doctrees/modelling/binding/multi_component_langmuir.doctree b/master/.doctrees/modelling/binding/multi_component_langmuir.doctree
index 5e32f9f3d..52f7d1f23 100644
Binary files a/master/.doctrees/modelling/binding/multi_component_langmuir.doctree and b/master/.doctrees/modelling/binding/multi_component_langmuir.doctree differ
diff --git a/master/.doctrees/modelling/binding/multi_component_langmuir_ldf.doctree b/master/.doctrees/modelling/binding/multi_component_langmuir_ldf.doctree
index 228be1947..377262557 100644
Binary files a/master/.doctrees/modelling/binding/multi_component_langmuir_ldf.doctree and b/master/.doctrees/modelling/binding/multi_component_langmuir_ldf.doctree differ
diff --git a/master/.doctrees/modelling/binding/multi_component_langmuir_ldf_liquid_phase.doctree b/master/.doctrees/modelling/binding/multi_component_langmuir_ldf_liquid_phase.doctree
index e4e06836e..1b574e133 100644
Binary files a/master/.doctrees/modelling/binding/multi_component_langmuir_ldf_liquid_phase.doctree and b/master/.doctrees/modelling/binding/multi_component_langmuir_ldf_liquid_phase.doctree differ
diff --git a/master/.doctrees/modelling/binding/multi_component_spreading.doctree b/master/.doctrees/modelling/binding/multi_component_spreading.doctree
index e4f06495c..895f76e5e 100644
Binary files a/master/.doctrees/modelling/binding/multi_component_spreading.doctree and b/master/.doctrees/modelling/binding/multi_component_spreading.doctree differ
diff --git a/master/.doctrees/modelling/binding/multi_state_steric_mass_action.doctree b/master/.doctrees/modelling/binding/multi_state_steric_mass_action.doctree
index 2b50e1da5..b7e4e6df7 100644
Binary files a/master/.doctrees/modelling/binding/multi_state_steric_mass_action.doctree and b/master/.doctrees/modelling/binding/multi_state_steric_mass_action.doctree differ
diff --git a/master/.doctrees/modelling/binding/saska.doctree b/master/.doctrees/modelling/binding/saska.doctree
index 2aab6fca3..3597ab1a0 100644
Binary files a/master/.doctrees/modelling/binding/saska.doctree and b/master/.doctrees/modelling/binding/saska.doctree differ
diff --git a/master/.doctrees/modelling/binding/self_association.doctree b/master/.doctrees/modelling/binding/self_association.doctree
index 6f24b14b7..e63043ef0 100644
Binary files a/master/.doctrees/modelling/binding/self_association.doctree and b/master/.doctrees/modelling/binding/self_association.doctree differ
diff --git a/master/.doctrees/modelling/binding/simplified_multi_state_steric_mass_action.doctree b/master/.doctrees/modelling/binding/simplified_multi_state_steric_mass_action.doctree
index 68ea33300..b51e2e584 100644
Binary files a/master/.doctrees/modelling/binding/simplified_multi_state_steric_mass_action.doctree and b/master/.doctrees/modelling/binding/simplified_multi_state_steric_mass_action.doctree differ
diff --git a/master/.doctrees/modelling/binding/steric_mass_action.doctree b/master/.doctrees/modelling/binding/steric_mass_action.doctree
index 59acf2725..b1d2ade1a 100644
Binary files a/master/.doctrees/modelling/binding/steric_mass_action.doctree and b/master/.doctrees/modelling/binding/steric_mass_action.doctree differ
diff --git a/master/.doctrees/modelling/equations.doctree b/master/.doctrees/modelling/equations.doctree
index 15bf3d500..deeb3303e 100644
Binary files a/master/.doctrees/modelling/equations.doctree and b/master/.doctrees/modelling/equations.doctree differ
diff --git a/master/.doctrees/modelling/index.doctree b/master/.doctrees/modelling/index.doctree
index ba4a06b78..6ad608c3a 100644
Binary files a/master/.doctrees/modelling/index.doctree and b/master/.doctrees/modelling/index.doctree differ
diff --git a/master/.doctrees/modelling/networks.doctree b/master/.doctrees/modelling/networks.doctree
index 51089b7f6..a00df30b4 100644
Binary files a/master/.doctrees/modelling/networks.doctree and b/master/.doctrees/modelling/networks.doctree differ
diff --git a/master/.doctrees/modelling/reaction/index.doctree b/master/.doctrees/modelling/reaction/index.doctree
index b54e4cc55..f22f13831 100644
Binary files a/master/.doctrees/modelling/reaction/index.doctree and b/master/.doctrees/modelling/reaction/index.doctree differ
diff --git a/master/.doctrees/modelling/reaction/mass_action_law.doctree b/master/.doctrees/modelling/reaction/mass_action_law.doctree
index 37b20b56a..d44f3b817 100644
Binary files a/master/.doctrees/modelling/reaction/mass_action_law.doctree and b/master/.doctrees/modelling/reaction/mass_action_law.doctree differ
diff --git a/master/.doctrees/modelling/reaction/michaelis_menten_kinetics.doctree b/master/.doctrees/modelling/reaction/michaelis_menten_kinetics.doctree
index 2f9a5d1c1..0ead27b8b 100644
Binary files a/master/.doctrees/modelling/reaction/michaelis_menten_kinetics.doctree and b/master/.doctrees/modelling/reaction/michaelis_menten_kinetics.doctree differ
diff --git a/master/.doctrees/modelling/unit_operations/2d_general_rate_model.doctree b/master/.doctrees/modelling/unit_operations/2d_general_rate_model.doctree
index a1d1d04d3..3539e46b5 100644
Binary files a/master/.doctrees/modelling/unit_operations/2d_general_rate_model.doctree and b/master/.doctrees/modelling/unit_operations/2d_general_rate_model.doctree differ
diff --git a/master/.doctrees/modelling/unit_operations/cstr.doctree b/master/.doctrees/modelling/unit_operations/cstr.doctree
index e104f976c..1f8270568 100644
Binary files a/master/.doctrees/modelling/unit_operations/cstr.doctree and b/master/.doctrees/modelling/unit_operations/cstr.doctree differ
diff --git a/master/.doctrees/modelling/unit_operations/general_rate_model.doctree b/master/.doctrees/modelling/unit_operations/general_rate_model.doctree
index 17d437477..9ff4cca7d 100644
Binary files a/master/.doctrees/modelling/unit_operations/general_rate_model.doctree and b/master/.doctrees/modelling/unit_operations/general_rate_model.doctree differ
diff --git a/master/.doctrees/modelling/unit_operations/index.doctree b/master/.doctrees/modelling/unit_operations/index.doctree
index 227f52b32..eaabb5ab9 100644
Binary files a/master/.doctrees/modelling/unit_operations/index.doctree and b/master/.doctrees/modelling/unit_operations/index.doctree differ
diff --git a/master/.doctrees/modelling/unit_operations/inlet.doctree b/master/.doctrees/modelling/unit_operations/inlet.doctree
index 388278a25..52d4944e0 100644
Binary files a/master/.doctrees/modelling/unit_operations/inlet.doctree and b/master/.doctrees/modelling/unit_operations/inlet.doctree differ
diff --git a/master/.doctrees/modelling/unit_operations/lumped_rate_model_with_pores.doctree b/master/.doctrees/modelling/unit_operations/lumped_rate_model_with_pores.doctree
index 75bf6ccb3..982f354ab 100644
Binary files a/master/.doctrees/modelling/unit_operations/lumped_rate_model_with_pores.doctree and b/master/.doctrees/modelling/unit_operations/lumped_rate_model_with_pores.doctree differ
diff --git a/master/.doctrees/modelling/unit_operations/lumped_rate_model_without_pores.doctree b/master/.doctrees/modelling/unit_operations/lumped_rate_model_without_pores.doctree
index 9ae3ea633..56382707b 100644
Binary files a/master/.doctrees/modelling/unit_operations/lumped_rate_model_without_pores.doctree and b/master/.doctrees/modelling/unit_operations/lumped_rate_model_without_pores.doctree differ
diff --git a/master/.doctrees/modelling/unit_operations/multi_channel_transport_model.doctree b/master/.doctrees/modelling/unit_operations/multi_channel_transport_model.doctree
index dcfb88613..77a44fc8a 100644
Binary files a/master/.doctrees/modelling/unit_operations/multi_channel_transport_model.doctree and b/master/.doctrees/modelling/unit_operations/multi_channel_transport_model.doctree differ
diff --git a/master/.doctrees/modelling/unit_operations/outlet.doctree b/master/.doctrees/modelling/unit_operations/outlet.doctree
index cfd94fd32..745f0fd25 100644
Binary files a/master/.doctrees/modelling/unit_operations/outlet.doctree and b/master/.doctrees/modelling/unit_operations/outlet.doctree differ
diff --git a/master/.doctrees/requirements.doctree b/master/.doctrees/requirements.doctree
index 4dc57baa4..6cfe287b4 100644
Binary files a/master/.doctrees/requirements.doctree and b/master/.doctrees/requirements.doctree differ
diff --git a/master/.doctrees/simulation/index.doctree b/master/.doctrees/simulation/index.doctree
index 462a97363..ca1a3381c 100644
Binary files a/master/.doctrees/simulation/index.doctree and b/master/.doctrees/simulation/index.doctree differ
diff --git a/master/.doctrees/zbibliography.doctree b/master/.doctrees/zbibliography.doctree
index 0219c76f3..92441bcc6 100644
Binary files a/master/.doctrees/zbibliography.doctree and b/master/.doctrees/zbibliography.doctree differ
diff --git a/master/_sources/interface/unit_operations/cstr.rst.txt b/master/_sources/interface/unit_operations/cstr.rst.txt
index bde2f0625..88385885b 100644
--- a/master/_sources/interface/unit_operations/cstr.rst.txt
+++ b/master/_sources/interface/unit_operations/cstr.rst.txt
@@ -83,7 +83,7 @@ For information on model equations, refer to :ref:`cstr_model`.
    **Type:** double  **Range:** :math:`\geq 0`  **Length:** :math:`\texttt{NCOMP}`
    ================  =========================  ==================================
    
-``INIT_VOLUME``
+``INIT_LIQUID_VOLUME``
 
    Initial liquid volume
 
diff --git a/master/interface/unit_operations/cstr.html b/master/interface/unit_operations/cstr.html
index c37789495..1d40ff476 100644
--- a/master/interface/unit_operations/cstr.html
+++ b/master/interface/unit_operations/cstr.html
@@ -228,7 +228,7 @@ <h2>Group /input/model/unit_XXX - UNIT_TYPE = CSTR<a class="headerlink" href="#g
 </tbody>
 </table>
 </div></blockquote>
-<p><code class="docutils literal notranslate"><span class="pre">INIT_VOLUME</span></code></p>
+<p><code class="docutils literal notranslate"><span class="pre">INIT_LIQUID_VOLUME</span></code></p>
 <blockquote>
 <div><p>Initial liquid volume</p>
 <p><strong>Unit:</strong> <span class="math notranslate nohighlight">\(\mathrm{m}^{3}\)</span></p>
diff --git a/master/searchindex.js b/master/searchindex.js
index c371be736..591799b5f 100644
--- a/master/searchindex.js
+++ b/master/searchindex.js
@@ -1 +1 @@
-Search.setIndex({"alltitles": {"/output/coordinates/unit_XXX": [[48, "output-coordinates-unit-xxx"]], "0. Preliminary Steps": [[3, "preliminary-steps"]], "1. Setting Up the Model": [[3, "setting-up-the-model"], [18, "setting-up-the-model"]], "2. Setting up Time Sections and Connections": [[3, "setting-up-time-sections-and-connections"]], "3. Setting Up the Simulator and Running the Simulation": [[3, "setting-up-the-simulator-and-running-the-simulation"], [18, "setting-up-the-simulator-and-running-the-simulation"]], "4. Plotting the Results": [[3, "plotting-the-results"], [18, "plotting-the-results"]], "Acknowledgments": [[19, "acknowledgments"]], "Adaptivity": [[107, "adaptivity"]], "Adding tests for your model": [[7, "adding-tests-for-your-model"]], "Adsorption Model": [[3, "adsorption-model"], [18, "adsorption-model"]], "Algorithmic differentiation": [[6, "algorithmic-differentiation"]], "Batch chromatography": [[8, null]], "Bi Steric Mass Action": [[20, null], [69, null]], "Bibliography": [[108, null]], "Binding Model": [[6, "binding-model"]], "Binding model feature matrix": [[75, "binding-model-feature-matrix"]], "Binding models": [[26, null], [75, null]], "Bugs": [[19, "bugs"]], "Build CADET": [[13, "build-cadet"], [14, "build-cadet"]], "Build CADET from the command line": [[15, "build-cadet-from-the-command-line"]], "Build CADET in Visual Studio": [[15, "build-cadet-in-visual-studio"]], "Build dependencies": [[14, "build-dependencies"]], "Build for Linux": [[13, null]], "Build for MS Windows": [[15, null]], "Build for OSX": [[14, null]], "CADET": [[19, null]], "CADET Documentation": [[0, null]], "CADET Introduction": [[18, null]], "CADET build options": [[1, null]], "CADET-Core debugging": [[4, null]], "CADET-Core testing": [[7, null]], "CADET-Python Introduction": [[3, null]], "Chemical reactions": [[11, null]], "Citing": [[19, "citing"]], "Column Model": [[18, "column-model"]], "Common notation and identifiers used in the file format description": [[46, "id5"]], "Consistent initialization": [[107, "consistent-initialization"]], "Continuous stirred tank reactor model": [[59, null]], "Continuous stirred tank reactor model (CSTR)": [[98, null]], "Correlation of forward- and backward rate constants": [[95, "correlation-of-forward-and-backward-rate-constants"]], "Correlations": [[49, "correlations"]], "Dependence on external function": [[75, "dependence-on-external-function"], [94, "dependence-on-external-function"]], "Developer Guide": [[5, null]], "Discontinuous Galerkin": [[60, "discontinuous-galerkin"], [63, "discontinuous-galerkin"], [64, "discontinuous-galerkin"]], "Discrete system size": [[56, "discrete-system-size"]], "Donations": [[19, "donations"]], "Dynamic flow rates": [[93, "dynamic-flow-rates"]], "Equilibrium constants": [[75, "equilibrium-constants"]], "Examples": [[9, null]], "Exercises": [[3, "exercises"]], "Extended Mobile Phase Modulator Langmuir": [[21, null], [70, null]], "Externally dependent binding models": [[26, "externally-dependent-binding-models"]], "Externally dependent reaction models": [[50, "externally-dependent-reaction-models"]], "Features": [[19, "features"]], "Features and Capabilities": [[2, "features-and-capabilities"]], "File format versions": [[44, null]], "Finite Volumes (Default)": [[60, "finite-volumes-default"], [63, "finite-volumes-default"], [64, "finite-volumes-default"]], "Flux reconstruction methods": [[43, null]], "Freundlich LDF": [[22, null], [71, null]], "General Rate Model": [[3, "general-rate-model"], [18, "general-rate-model"], [60, null]], "General rate model (GRM)": [[99, null]], "Generalized Ion Exchange": [[23, null], [72, null]], "Getting started": [[16, null]], "Global structure": [[46, "global-structure"]], "Group /input/model": [[57, "group-input-model"]], "Group /input/model/connections": [[57, "group-input-model-connections"]], "Group /input/model/connections/switch_XXX": [[57, "group-input-model-connections-switch-xxx"]], "Group /input/model/external/source_XXX - EXTFUN_TYPE = LINEAR_INTERP_DATA": [[57, "group-input-model-external-source-xxx-extfun-type-linear-interp-data"]], "Group /input/model/external/source_XXX - EXTFUN_TYPE = PIECEWISE_CUBIC_POLY": [[57, "group-input-model-external-source-xxx-extfun-type-piecewise-cubic-poly"]], "Group /input/model/solver": [[57, "group-input-model-solver"]], "Group /input/model/unit_XXX": [[49, "group-input-model-unit-xxx"], [49, "id2"]], "Group /input/model/unit_XXX - UNIT-TYPE = INLET": [[62, "group-input-model-unit-xxx-unit-type-inlet"]], "Group /input/model/unit_XXX - UNIT-TYPE = OUTLET": [[66, "group-input-model-unit-xxx-unit-type-outlet"]], "Group /input/model/unit_XXX - UNIT_TYPE - GENERAL_RATE_MODEL": [[60, "group-input-model-unit-xxx-unit-type-general-rate-model"]], "Group /input/model/unit_XXX - UNIT_TYPE - RADIAL_GENERAL_RATE_MODEL": [[67, "group-input-model-unit-xxx-unit-type-radial-general-rate-model"]], "Group /input/model/unit_XXX - UNIT_TYPE = CSTR": [[59, "group-input-model-unit-xxx-unit-type-cstr"]], "Group /input/model/unit_XXX - UNIT_TYPE = GENERAL_RATE_MODEL_2D": [[58, "group-input-model-unit-xxx-unit-type-general-rate-model-2d"]], "Group /input/model/unit_XXX - UNIT_TYPE = LUMPED_RATE_MODEL_WITHOUT_PORES": [[64, "group-input-model-unit-xxx-unit-type-lumped-rate-model-without-pores"]], "Group /input/model/unit_XXX - UNIT_TYPE = LUMPED_RATE_MODEL_WITH_PORES": [[63, "group-input-model-unit-xxx-unit-type-lumped-rate-model-with-pores"]], "Group /input/model/unit_XXX - UNIT_TYPE = MULTI_CHANNEL_TRANSPORT": [[65, "group-input-model-unit-xxx-unit-type-multi-channel-transport"]], "Group /input/model/unit_XXX/discretization - UNIT_TYPE - GENERAL_RATE_MODEL": [[60, "group-input-model-unit-xxx-discretization-unit-type-general-rate-model"]], "Group /input/model/unit_XXX/discretization - UNIT_TYPE - GENERAL_RATE_MODEL_2D": [[58, "group-input-model-unit-xxx-discretization-unit-type-general-rate-model-2d"]], "Group /input/model/unit_XXX/discretization - UNIT_TYPE - RADIAL_GENERAL_RATE_MODEL": [[67, "group-input-model-unit-xxx-discretization-unit-type-radial-general-rate-model"]], "Group /input/model/unit_XXX/discretization - UNIT_TYPE = LUMPED_RATE_MODEL_WITHOUT_PORES": [[64, "group-input-model-unit-xxx-discretization-unit-type-lumped-rate-model-without-pores"]], "Group /input/model/unit_XXX/discretization - UNIT_TYPE = MULTI_CHANNEL_TRANSPORT": [[65, "group-input-model-unit-xxx-discretization-unit-type-multi-channel-transport"]], "Group /input/model/unit_XXX/discretization/SPATIAL_METHOD - Details on the methods": [[56, "group-input-model-unit-xxx-discretization-spatial-method-details-on-the-methods"]], "Group /input/model/unit_XXX/discretization/consistency_solver - Nonlinear consistency solver paramters": [[42, "group-input-model-unit-xxx-discretization-consistency-solver-nonlinear-consistency-solver-paramters"]], "Group /input/model/unit_XXX/discretization/weno - WENO Parameters": [[43, "group-input-model-unit-xxx-discretization-weno-weno-parameters"]], "Group /input/model/unit_XXX/sec_XXX": [[62, "group-input-model-unit-xxx-sec-xxx"]], "Group /input/return": [[53, "group-input-return"]], "Group /input/return/unit_XXX": [[53, "group-input-return-unit-xxx"]], "Group /input/sensitivity": [[54, "group-input-sensitivity"]], "Group /input/sensitivity/param_XXX": [[54, "group-input-sensitivity-param-xxx"]], "Group /input/solver": [[55, "group-input-solver"]], "Group /output": [[48, "group-output"]], "Group /output/sensitivity/param_XXX/unit_YYY": [[48, "group-output-sensitivity-param-xxx-unit-yyy"]], "Group /output/solution": [[48, "group-output-solution"]], "Group /output/solution/unit_XXX": [[48, "group-output-solution-unit-xxx"]], "Group /solver/sections": [[55, "group-solver-sections"]], "Group /solver/time_integrator": [[55, "group-solver-time-integrator"]], "HIC Constant Water Activity": [[24, null], [73, null]], "HIC Water on Hydrophobic Surfaces": [[25, null], [74, null]], "Implementation Details": [[2, "implementation-details"]], "Implementation procedure": [[7, "implementation-procedure"]], "Initial Conditions": [[3, "initial-conditions"], [18, "initial-conditions"]], "Inlet": [[62, null], [101, null]], "Inlet Model": [[3, "inlet-model"], [18, "inlet-model"]], "Input Group": [[45, null]], "Install CADET core simulator": [[17, "install-cadet-core-simulator"]], "Install CADET-Process": [[17, "install-cadet-process"]], "Install a frontend": [[17, "install-a-frontend"]], "Install dependencies": [[13, "install-dependencies"]], "Install from source": [[17, "install-from-source"]], "Install pre-built binaries": [[17, "install-pre-built-binaries"]], "Installation": [[17, null], [19, "installation"]], "Intel oneAPI Base Toolkit": [[15, "intel-oneapi-base-toolkit"]], "Interface specifications": [[44, null]], "Introduction": [[46, null]], "Joint parameters": [[107, "joint-parameters"]], "LAPACK": [[13, "lapack"], [14, "lapack"]], "License": [[68, null]], "Linear": [[27, null], [76, null]], "Linear Driving Force (LDF)": [[75, "linear-driving-force-ldf"]], "Load Wash Elute": [[10, null]], "Lumped Rate Model Without Pores": [[64, null]], "Lumped rate model with pores": [[63, null]], "Lumped rate model with pores (LRMP)": [[102, null]], "Lumped rate model without pores (LRM)": [[103, null]], "Maintenance of the tests": [[7, "maintenance-of-the-tests"]], "Manufactured solution": [[7, "manufactured-solution"]], "Mass Action Law": [[51, null]], "Mass action law": [[95, null]], "Meta Group": [[47, null]], "Michaelis Menten kinetics": [[52, null], [96, null]], "Mobile Phase Modulator Langmuir": [[28, null], [77, null]], "Model Expansion": [[6, null]], "Modelling": [[92, null]], "Multi Component Anti-Langmuir": [[29, null], [78, null]], "Multi Component Bi-Langmuir": [[30, null], [79, null]], "Multi Component Bi-Langmuir LDF": [[31, null], [80, null]], "Multi Component Colloidal": [[32, null], [81, null]], "Multi Component Langmuir": [[33, null], [82, null]], "Multi Component Langmuir LDF": [[34, null], [83, null]], "Multi Component Langmuir LDF Liquid Phase": [[35, null], [84, null]], "Multi Component Spreading": [[36, null], [85, null]], "Multi-State Steric Mass Action": [[37, null], [86, null]], "Multichannel Transport model (MCT model)": [[65, null], [104, null]], "Multiple particle types": [[26, "multiple-particle-types"], [50, "multiple-particle-types"], [99, "multiple-particle-types"]], "Networks of unit operations": [[93, null]], "Non-binding components": [[26, "non-binding-components"]], "Nonlinear solver for consistent initialization": [[42, null]], "Notation and identifiers": [[46, "notation-and-identifiers"]], "Note on DG solution vector": [[56, "note-on-dg-solution-vector"]], "Numerical reference tests": [[7, "numerical-reference-tests"]], "Ongoing Development": [[19, "ongoing-development"]], "Optional:  clink": [[15, "optional-clink"]], "Options": [[1, "options"]], "Order of convergence": [[56, "order-of-convergence"]], "Ordering of multi dimensional data": [[46, "ordering-of-multi-dimensional-data"]], "Outlet": [[66, null], [105, null]], "Outlet Model": [[3, "outlet-model"]], "Output Group": [[48, null]], "Parameter Dependencies": [[49, null]], "Parameter Sensitivities": [[54, null]], "Parameter sensitivities": [[107, "parameter-sensitivities"]], "Parameter-Parameter Dependencies": [[49, "parameter-parameter-dependencies"]], "Parameter-State Dependencies": [[49, "parameter-state-dependencies"]], "Particle Geometry": [[99, "particle-geometry"]], "Prepare CADET code": [[15, "prepare-cadet-code"]], "Prerequisites": [[13, "prerequisites"], [14, "prerequisites"], [15, "prerequisites"]], "Process properties": [[18, "process-properties"]], "Radial Flow Models": [[67, null]], "Radial flow GRM": [[99, "radial-flow-grm"]], "Radial flow LRM": [[103, "radial-flow-lrm"]], "Radial flow LRMP": [[102, "radial-flow-lrmp"]], "Reaction models": [[50, null], [94, null]], "Recommendations on DG discretization parameters": [[56, "recommendations-on-dg-discretization-parameters"]], "Recommendations on the choice of spatial discretization methods": [[56, "recommendations-on-the-choice-of-spatial-discretization-methods"]], "Reference concentrations": [[75, "reference-concentrations"]], "Refinement strategy": [[56, "refinement-strategy"]], "Residence time distributions": [[12, null]], "Return data": [[53, null]], "Run the tests": [[7, "run-the-tests"]], "Saska": [[38, null], [87, null]], "Section dependent datasets in the 1D unit operation models (/input/model/unit_XXX group)": [[46, "id6"]], "Section dependent model parameters": [[46, "section-dependent-model-parameters"]], "Self Association": [[39, null], [88, null]], "Setting up the Discretization": [[3, "setting-up-the-discretization"]], "Setup": [[107, "setup"]], "Simplified Multi-State Steric Mass Action": [[40, null], [89, null]], "Simulation": [[107, null]], "Size exclusion chromatography": [[99, "size-exclusion-chromatography"]], "Smooth solutions": [[56, "smooth-solutions"]], "Software Architecture": [[2, null]], "Solution of the linear systems": [[93, "solution-of-the-linear-systems"]], "Solver Configuration": [[55, null]], "Spatial discretization - Numerical Methods": [[60, "spatial-discretization-numerical-methods"], [63, "spatial-discretization-numerical-methods"], [64, "spatial-discretization-numerical-methods"]], "Spatial discretization methods": [[56, null]], "Specification of flow rate / velocity and direction": [[97, "specification-of-flow-rate-velocity-and-direction"], [99, "specification-of-flow-rate-velocity-and-direction"]], "Specification of network connections": [[93, "specification-of-network-connections"]], "Steric Mass Action": [[41, null], [90, null]], "Supported features of the different binding models": [[75, "id3"]], "Supported features of the different unit operations models": [[100, "id2"]], "System Connectivity": [[3, "system-connectivity"], [18, "system-connectivity"]], "System of unit operations": [[57, null]], "Test build results": [[15, "test-build-results"]], "Testing and Publication": [[6, "testing-and-publication"]], "Time Sections": [[3, "time-sections"]], "Time section specification": [[107, "time-section-specification"]], "Time sections and transitions": [[107, "time-sections-and-transitions"]], "Time stepping": [[107, "time-stepping"]], "Two Dimensional General rate model (GRM2D)": [[97, null]], "Two dimensional general rate model": [[58, null]], "Unit Operation": [[6, "unit-operation"]], "Unit Operation submodel assumption": [[2, "unit-operation-submodel-assumption"]], "Unit Operations": [[61, null]], "Unit operation models": [[100, null]], "Unit tests": [[7, "unit-tests"]], "Use-case: Lumped Rate Model without pores and linear kinetic binding": [[104, "use-case-lumped-rate-model-without-pores-and-linear-kinetic-binding"]], "Use-case: Tracer transport in plants": [[104, "use-case-tracer-transport-in-plants"]], "Valve switches": [[93, "valve-switches"]], "Variables and unknowns": [[99, "id7"]], "Visual Studio:": [[15, "visual-studio"]], "cmakeSettings.json": [[1, "cmakesettings-json"]]}, "docnames": ["README", "developer_guide/build_options", "developer_guide/cadet_core_architecture", "developer_guide/cadet_python", "developer_guide/debugging", "developer_guide/index", "developer_guide/model_expansion", "developer_guide/testing", "examples/batch_chromatography", "examples/index", "examples/load_wash_elute", "examples/reaction_cstr", "examples/rtd", "getting_started/build_linux", "getting_started/build_osx", "getting_started/build_windows", "getting_started/index", "getting_started/installation", "getting_started/tutorials/breakthrough", "index", "interface/binding/bi_steric_mass_action", "interface/binding/extended_mobile_phase_modulator_langmuir", "interface/binding/freundlich_ldf", "interface/binding/generalized_ion_exchange", "interface/binding/hic_constant_water_activity", "interface/binding/hic_water_on_hydrophobic_surfaces", "interface/binding/index", "interface/binding/linear", "interface/binding/mobile_phase_modulator_langmuir", "interface/binding/multi_component_anti_langmuir", "interface/binding/multi_component_bi_langmuir", "interface/binding/multi_component_bi_langmuir_ldf", "interface/binding/multi_component_colloidal", "interface/binding/multi_component_langmuir", "interface/binding/multi_component_langmuir_ldf", "interface/binding/multi_component_langmuir_ldf_liquid_phase", "interface/binding/multi_component_spreading", "interface/binding/multi_state_steric_mass_action", "interface/binding/saska", "interface/binding/self_association", "interface/binding/simplified_multi_state_steric_mass_action", "interface/binding/steric_mass_action", "interface/consistent_initialization", "interface/flux_reconstruction", "interface/index", "interface/input_group", "interface/introduction", "interface/meta_group", "interface/output_group", "interface/parameter_dependencies", "interface/reaction/index", "interface/reaction/mass_action_law", "interface/reaction/michaelis_menten_kinetics", "interface/return_data", "interface/sensitivities", "interface/solver", "interface/spatial_discretization_methods", "interface/system", "interface/unit_operations/2d_general_rate_model", "interface/unit_operations/cstr", "interface/unit_operations/general_rate_model", "interface/unit_operations/index", "interface/unit_operations/inlet", "interface/unit_operations/lumped_rate_model_with_pores", "interface/unit_operations/lumped_rate_model_without_pores", "interface/unit_operations/multi_channel_transport_model", "interface/unit_operations/outlet", "interface/unit_operations/radial_flow_models", "license", "modelling/binding/bi_steric_mass_action", "modelling/binding/extended_mobile_phase_modulator_langmuir", "modelling/binding/freundlich_ldf", "modelling/binding/generalized_ion_exchange", "modelling/binding/hic_constant_water_activity", "modelling/binding/hic_water_on_hydrophobic_surfaces", "modelling/binding/index", "modelling/binding/linear", "modelling/binding/mobile_phase_modulator_langmuir", "modelling/binding/multi_component_anti_langmuir", "modelling/binding/multi_component_bi_langmuir", "modelling/binding/multi_component_bi_langmuir_ldf", "modelling/binding/multi_component_colloidal", "modelling/binding/multi_component_langmuir", "modelling/binding/multi_component_langmuir_ldf", "modelling/binding/multi_component_langmuir_ldf_liquid_phase", "modelling/binding/multi_component_spreading", "modelling/binding/multi_state_steric_mass_action", "modelling/binding/saska", "modelling/binding/self_association", "modelling/binding/simplified_multi_state_steric_mass_action", "modelling/binding/steric_mass_action", "modelling/equations", "modelling/index", "modelling/networks", "modelling/reaction/index", "modelling/reaction/mass_action_law", "modelling/reaction/michaelis_menten_kinetics", "modelling/unit_operations/2d_general_rate_model", "modelling/unit_operations/cstr", "modelling/unit_operations/general_rate_model", "modelling/unit_operations/index", "modelling/unit_operations/inlet", "modelling/unit_operations/lumped_rate_model_with_pores", "modelling/unit_operations/lumped_rate_model_without_pores", "modelling/unit_operations/multi_channel_transport_model", "modelling/unit_operations/outlet", "requirements", "simulation/index", "zbibliography"], "envversion": {"sphinx": 63, "sphinx.domains.c": 3, "sphinx.domains.changeset": 1, "sphinx.domains.citation": 1, "sphinx.domains.cpp": 9, "sphinx.domains.index": 1, "sphinx.domains.javascript": 3, "sphinx.domains.math": 2, "sphinx.domains.python": 4, "sphinx.domains.rst": 2, "sphinx.domains.std": 2, "sphinx.ext.todo": 2, "sphinxcontrib.bibtex": 9}, "filenames": ["README.md", "developer_guide/build_options.rst", "developer_guide/cadet_core_architecture.rst", "developer_guide/cadet_python.rst", "developer_guide/debugging.rst", "developer_guide/index.rst", "developer_guide/model_expansion.rst", "developer_guide/testing.rst", "examples/batch_chromatography.rst", "examples/index.rst", "examples/load_wash_elute.rst", "examples/reaction_cstr.rst", "examples/rtd.rst", "getting_started/build_linux.rst", "getting_started/build_osx.rst", "getting_started/build_windows.rst", "getting_started/index.rst", "getting_started/installation.rst", "getting_started/tutorials/breakthrough.rst", "index.rst", "interface/binding/bi_steric_mass_action.rst", "interface/binding/extended_mobile_phase_modulator_langmuir.rst", "interface/binding/freundlich_ldf.rst", "interface/binding/generalized_ion_exchange.rst", "interface/binding/hic_constant_water_activity.rst", "interface/binding/hic_water_on_hydrophobic_surfaces.rst", "interface/binding/index.rst", "interface/binding/linear.rst", "interface/binding/mobile_phase_modulator_langmuir.rst", "interface/binding/multi_component_anti_langmuir.rst", "interface/binding/multi_component_bi_langmuir.rst", "interface/binding/multi_component_bi_langmuir_ldf.rst", "interface/binding/multi_component_colloidal.rst", "interface/binding/multi_component_langmuir.rst", "interface/binding/multi_component_langmuir_ldf.rst", "interface/binding/multi_component_langmuir_ldf_liquid_phase.rst", "interface/binding/multi_component_spreading.rst", "interface/binding/multi_state_steric_mass_action.rst", "interface/binding/saska.rst", "interface/binding/self_association.rst", "interface/binding/simplified_multi_state_steric_mass_action.rst", "interface/binding/steric_mass_action.rst", "interface/consistent_initialization.rst", "interface/flux_reconstruction.rst", "interface/index.rst", "interface/input_group.rst", "interface/introduction.rst", "interface/meta_group.rst", "interface/output_group.rst", "interface/parameter_dependencies.rst", "interface/reaction/index.rst", "interface/reaction/mass_action_law.rst", "interface/reaction/michaelis_menten_kinetics.rst", "interface/return_data.rst", "interface/sensitivities.rst", "interface/solver.rst", "interface/spatial_discretization_methods.rst", "interface/system.rst", "interface/unit_operations/2d_general_rate_model.rst", "interface/unit_operations/cstr.rst", "interface/unit_operations/general_rate_model.rst", "interface/unit_operations/index.rst", "interface/unit_operations/inlet.rst", "interface/unit_operations/lumped_rate_model_with_pores.rst", "interface/unit_operations/lumped_rate_model_without_pores.rst", "interface/unit_operations/multi_channel_transport_model.rst", "interface/unit_operations/outlet.rst", "interface/unit_operations/radial_flow_models.rst", "license.rst", "modelling/binding/bi_steric_mass_action.rst", "modelling/binding/extended_mobile_phase_modulator_langmuir.rst", "modelling/binding/freundlich_ldf.rst", "modelling/binding/generalized_ion_exchange.rst", "modelling/binding/hic_constant_water_activity.rst", "modelling/binding/hic_water_on_hydrophobic_surfaces.rst", "modelling/binding/index.rst", "modelling/binding/linear.rst", "modelling/binding/mobile_phase_modulator_langmuir.rst", "modelling/binding/multi_component_anti_langmuir.rst", "modelling/binding/multi_component_bi_langmuir.rst", "modelling/binding/multi_component_bi_langmuir_ldf.rst", "modelling/binding/multi_component_colloidal.rst", "modelling/binding/multi_component_langmuir.rst", "modelling/binding/multi_component_langmuir_ldf.rst", "modelling/binding/multi_component_langmuir_ldf_liquid_phase.rst", "modelling/binding/multi_component_spreading.rst", "modelling/binding/multi_state_steric_mass_action.rst", "modelling/binding/saska.rst", "modelling/binding/self_association.rst", "modelling/binding/simplified_multi_state_steric_mass_action.rst", "modelling/binding/steric_mass_action.rst", "modelling/equations.rst", "modelling/index.rst", "modelling/networks.rst", "modelling/reaction/index.rst", "modelling/reaction/mass_action_law.rst", "modelling/reaction/michaelis_menten_kinetics.rst", "modelling/unit_operations/2d_general_rate_model.rst", "modelling/unit_operations/cstr.rst", "modelling/unit_operations/general_rate_model.rst", "modelling/unit_operations/index.rst", "modelling/unit_operations/inlet.rst", "modelling/unit_operations/lumped_rate_model_with_pores.rst", "modelling/unit_operations/lumped_rate_model_without_pores.rst", "modelling/unit_operations/multi_channel_transport_model.rst", "modelling/unit_operations/outlet.rst", "requirements.txt", "simulation/index.rst", "zbibliography.rst"], "indexentries": {}, "objects": {}, "objnames": {}, "objtypes": {}, "terms": {"": [3, 6, 18, 19, 20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 47, 48, 52, 55, 56, 57, 58, 59, 60, 62, 63, 64, 65, 67, 68, 81, 90, 91, 93, 95, 96, 97, 98, 99, 102, 103, 104, 105, 107, 108], "0": [2, 4, 5, 6, 7, 13, 14, 18, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 47, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 63, 64, 65, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 93, 94, 95, 96, 97, 98, 99, 101, 102, 103, 104, 107, 108], "00008": 108, "0001": 42, "00050": 108, "0009": 108, "0009250953800011": 108, "004": 108, "01": [3, 42, 108], "014": 18, "01496399208019442": 108, "02": 18, "023": 108, "0288": 108, "040000": 47, "045": 108, "050": 108, "06": 108, "07": 108, "08": 108, "082": 108, "085": 108, "09": 108, "0e": 3, "1": [2, 4, 5, 6, 7, 19, 20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 46, 48, 49, 53, 54, 55, 56, 57, 58, 59, 60, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 93, 94, 95, 97, 99, 100, 101, 102, 103, 104, 107, 108], "10": [3, 18, 46, 55, 57, 68, 81, 104, 107, 108], "100": [3, 18], "1000": 18, "10000": 3, "1000000": 3, "1001": 3, "1002": 108, "1007": 108, "1016": 108, "1021": 108, "1055": 108, "1080": 108, "1089014": 108, "1089020": 108, "11": [46, 68, 71, 97, 99, 108], "113": 19, "1145": 108, "1167": 108, "1180": 19, "1191": 19, "12": [13, 14, 65, 68, 71, 85, 97, 104, 108], "1200": 3, "1216": 108, "1244": 108, "1262": 108, "13": [19, 46, 68, 72, 108], "131": 108, "1365": 108, "139": [19, 108], "14": [68, 71, 72, 88, 108], "142": 108, "1465": 108, "15": [15, 68, 73, 108], "151": 108, "152": [19, 108], "16": [3, 68, 74, 108], "1600336": 108, "161": 108, "1617": 108, "162": [19, 108], "1679": 108, "17": [15, 68, 77, 97, 108], "1711": 108, "1732": 108, "175": 108, "17825832": 108, "18": [13, 14, 77, 108], "180": 108, "183": 108, "19": [81, 97, 108], "190": 108, "1916": 108, "1953": 108, "1965": 108, "1968": 108, "1969": 108, "1978": 108, "1989": 108, "1992": 108, "1995": 108, "1996": [68, 108], "1997": 108, "1d": 48, "1e": [3, 7, 71], "1e6": 3, "1k": 104, "1n": [65, 104], "2": [2, 4, 5, 6, 7, 18, 21, 23, 26, 32, 37, 38, 43, 46, 48, 50, 53, 56, 57, 58, 59, 60, 62, 63, 64, 65, 67, 68, 71, 72, 75, 81, 85, 88, 89, 93, 94, 97, 99, 101, 102, 103, 104, 108], "20": [3, 6, 68, 82, 97, 108], "200": 3, "2004": 108, "2005": 108, "2006": 108, "2007": [68, 108], "2008": 108, "200800082": 108, "2009": 108, "2010": 19, "201000560": 108, "2012": 108, "2013": [19, 108], "2014": 108, "2015": 108, "2016": [19, 74, 108], "201600336": 108, "2017": 108, "2018": 19, "2019": 108, "2020": 108, "2022": [15, 108], "21": [65, 85, 87, 104, 108], "22": [88, 93, 108], "2221": 108, "2295": 108, "23": [81, 90, 93, 108], "237": 108, "24": [93, 107, 108], "248": 108, "25": [57, 107, 108], "2509": 108, "26": [107, 108], "264193": 108, "264573": 108, "27": 108, "274": 19, "28": 68, "29": [68, 108], "294": 19, "2d": [1, 3, 48], "2nd": [56, 108], "2r": 81, "3": [2, 5, 6, 7, 13, 14, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 43, 46, 48, 50, 56, 57, 58, 59, 60, 62, 63, 64, 65, 68, 75, 76, 79, 81, 82, 89, 93, 94, 97, 99, 101, 102, 103, 107, 108], "30": [6, 15, 68], "31": 108, "32": 3, "33": 3, "34": [19, 108], "341": 108, "343": 108, "35": 108, "363": 108, "36f": 55, "37": [3, 18], "370537": 108, "38": 108, "39": 108, "396": 108, "4": [5, 6, 7, 46, 47, 55, 56, 57, 58, 60, 63, 64, 68, 81, 99, 102, 103, 107, 108], "40000": 3, "41": 108, "41f": [57, 58, 60, 63], "42": 108, "450": 108, "46": 19, "460479": 108, "463408": 108, "469": 108, "4b34e0d5": 2, "5": [3, 18, 43, 46, 55, 56, 57, 58, 60, 63, 64, 68, 99, 107, 108], "500": 55, "53": 108, "54": 108, "56": 19, "57": 19, "5e": 18, "6": [3, 18, 38, 39, 56, 60, 68, 81, 99, 104, 108], "60": [3, 68, 108], "6177": 108, "6195": 108, "642": 108, "683738370512285e": 18, "690140613": 108, "690381212": 108, "690420507": 108, "6b": 68, "6d": 68, "7": [6, 13, 14, 55, 57, 58, 60, 63, 65, 68, 99, 104, 108], "70": 108, "71": 108, "75": 18, "75e": 18, "78": 108, "79541": 108, "79543": 108, "7e": 18, "8": [3, 7, 18, 19, 57, 68, 99, 102, 103, 104, 107, 108], "80001": 108, "801406": 108, "840314": 2, "864": 108, "874": 108, "886": 108, "895": 108, "8b05873": 108, "9": [13, 14, 68, 104, 107, 108], "919": 108, "927": 108, "9274": 108, "96437": 108, "9673": 108, "97": 108, "978": 108, "99457": 108, "9e": 18, "A": [3, 6, 7, 15, 17, 18, 19, 56, 57, 58, 60, 63, 68, 70, 74, 75, 76, 77, 81, 85, 86, 93, 94, 97, 99, 100, 101, 104, 105, 107, 108], "AND": 68, "AS": 68, "And": [15, 68], "As": [3, 56, 102, 107], "At": [15, 21, 44, 107], "BE": 68, "BEING": 68, "BUT": 68, "BY": 68, "But": 68, "By": [1, 6, 46, 68, 75, 93, 94, 99, 102, 103], "FOR": 68, "For": [1, 2, 3, 5, 6, 15, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 33, 34, 35, 36, 37, 38, 39, 40, 41, 46, 50, 56, 57, 58, 59, 60, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 92, 94, 95, 97, 99, 101, 102, 103, 104, 105, 107], "IF": 68, "IN": 68, "If": [1, 2, 3, 4, 5, 6, 7, 13, 14, 15, 17, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 46, 48, 50, 52, 56, 57, 58, 59, 60, 63, 67, 68, 93, 96, 98, 99, 104, 107], "In": [2, 3, 6, 18, 26, 44, 47, 50, 56, 58, 60, 63, 65, 67, 68, 70, 72, 75, 78, 81, 85, 86, 87, 90, 93, 95, 96, 99, 104, 105, 107, 108], "It": [1, 2, 3, 17, 46, 56, 68, 80, 83, 84, 88, 99, 107], "NO": 68, "NOT": 68, "No": [68, 71], "Not": 68, "OF": 68, "ON": [7, 15], "OR": 68, "Of": [3, 68], "On": [3, 101, 107], "One": 71, "Or": 19, "SUCH": 68, "Such": [68, 93], "THE": 68, "THERE": 68, "TO": 68, "That": [56, 93, 97, 99, 102, 103, 104], "The": [0, 1, 2, 3, 6, 7, 15, 17, 18, 19, 23, 26, 37, 39, 40, 41, 44, 46, 49, 50, 52, 56, 57, 58, 59, 60, 63, 64, 65, 67, 68, 69, 70, 71, 72, 75, 77, 78, 79, 81, 82, 85, 86, 87, 88, 89, 90, 93, 94, 95, 97, 98, 99, 101, 102, 103, 104, 105, 107, 108], "Their": 2, "Then": [0, 3, 6, 18, 46, 56], "There": [3, 6, 93, 104], "These": [3, 7, 18, 68, 93, 95, 97, 107], "To": [0, 2, 3, 4, 6, 7, 17, 18, 19, 68, 71, 104], "WILL": 68, "WITH": 68, "With": 93, "_": [2, 7, 37, 48, 58, 59, 60, 62, 63, 64, 67, 69, 70, 75, 81, 86, 89, 93, 95, 99, 101, 107], "_0": [72, 75, 86, 88, 90, 107], "_1": 104, "_a": 107, "_bindingmodel": 6, "_c": [99, 102, 103], "_d": 107, "_i": [58, 60, 63, 71], "_n": [2, 104], "_port_xyz_": 53, "a_": 101, "a_1": 104, "a_2": 104, "a_k": 104, "a_l": 104, "a_n": 104, "aachen": 2, "ab": 108, "abil": 68, "abort": 107, "about": [3, 68, 92], "abov": [2, 6, 68, 75, 89, 93, 99, 104], "abraham": 108, "absenc": [56, 68], "absolut": [7, 49, 54, 55, 58, 68, 107], "abstol": [3, 54, 55, 107], "abstract": 2, "abus": 68, "ac": 108, "academ": 108, "acc": [99, 102], "acceler": [14, 107], "accept": [7, 68], "access": [2, 17, 58, 60, 63, 68, 99], "accompani": 68, "accord": [2, 17, 56, 68, 104], "accordingli": [6, 67, 103, 104], "account": [26, 50, 75, 82, 87, 90, 93, 94, 97, 99, 104, 107], "accur": [19, 56, 60, 63, 64, 107], "accuraci": [7, 56, 58, 60, 63, 64], "achiev": [60, 63, 64, 68, 75, 95], "acknowledg": 68, "acm": 108, "acquir": 68, "across": 68, "act": [75, 93, 95, 100], "action": [0, 26, 44, 45, 50, 68, 72, 75, 88, 94, 108], "activ": [1, 6, 19, 26, 45, 57, 68, 75, 93, 95, 108], "actual": [1, 3, 6, 17, 18, 56, 68, 75, 99], "acycl": [57, 93], "ad": [1, 2, 3, 5, 6, 19, 44, 53, 56, 68, 74, 75, 77, 85, 86, 87, 88, 91, 97, 98, 99, 102, 103, 104, 105, 107], "ad1": 54, "adapt": [2, 3, 7, 68, 75, 94], "add": [1, 2, 3, 4, 6, 7, 17, 18, 68, 69, 79, 85, 86, 104, 107], "add_compon": 18, "add_connect": 18, "add_execut": 7, "add_unit": 18, "addict": 3, "addit": [1, 2, 3, 6, 67, 68, 69, 72, 79, 81, 86, 87, 89, 90, 93, 96, 98, 99, 102, 103], "addition": [1, 2, 6, 7, 56, 67, 97], "address": [57, 68, 71], "adequatli": [6, 7], "adher": 5, "adjac": 89, "adjust": [6, 56, 81, 93, 104], "admin": 15, "adopt": 68, "adsorb": [81, 86, 108], "adsorpt": [6, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 72, 75, 81, 88, 91, 98, 99, 102, 103, 104, 108], "adsorption_000": 26, "adsorption_model": [3, 20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 58, 59, 60, 63, 64], "adsorption_model_multiplex": [58, 60, 63], "adsorption_particl": 50, "adsorption_r": 18, "adsorption_yyi": 26, "advect": 3, "advers": 68, "advic": [4, 56], "advis": 68, "affect": [68, 107], "affero": 68, "affin": 60, "affirm": 68, "aforement": 6, "after": [7, 56, 68, 107], "again": [6, 56, 93, 107], "against": 68, "aggreg": 68, "agnost": 104, "agre": 68, "agreement": [68, 81], "aic": 108, "aich": 108, "aid": 99, "aim": 68, "al": [6, 74, 104], "alan": 108, "algebra": [19, 107, 108], "algorithm": [2, 5, 19, 54, 57, 58, 59, 60, 63, 64, 65, 75, 95, 108], "algtol": [3, 55, 107], "align": [26, 49, 50, 56, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 93, 94, 95, 96, 97, 98, 99, 101, 102, 103, 104, 107], "all": [0, 1, 2, 3, 5, 6, 7, 14, 15, 17, 18, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 46, 48, 49, 50, 51, 53, 55, 57, 58, 59, 60, 63, 65, 67, 68, 69, 75, 79, 82, 85, 86, 89, 92, 93, 94, 97, 98, 99, 102, 103, 104, 107], "alleg": 68, "allevi": 107, "alloc": [6, 107], "allow": [1, 2, 3, 18, 21, 56, 68, 69, 70, 79, 85, 86, 87, 89, 93, 97, 99, 104, 107, 108], "almost": 3, "along": [58, 68, 97], "alpha": 6, "alpha_": 107, "alpha_0": 71, "alpha_1": [71, 107], "alpha_2": 71, "alpha_i": 107, "alpha_n": 107, "alreadi": [6, 7, 56, 68, 88], "also": [2, 3, 6, 7, 14, 16, 26, 43, 44, 46, 50, 56, 58, 60, 63, 64, 65, 67, 68, 70, 71, 75, 80, 81, 83, 84, 88, 90, 99, 102, 104, 105, 107], "altern": [4, 58, 68], "alterni": 75, "although": [3, 68], "alwai": [3, 13, 14, 15, 19, 56, 57, 58, 65, 75, 93, 97, 107], "american": 108, "among": [68, 92], "amount": [3, 75, 107], "amsterdam": 108, "an": [1, 2, 3, 4, 5, 6, 7, 17, 18, 46, 56, 57, 58, 60, 63, 68, 69, 70, 71, 75, 79, 87, 93, 94, 99, 101, 107, 108], "anaconda": 17, "analysi": [19, 107, 108], "analyt": [1, 6, 7, 58, 59, 60, 64, 65, 76, 107], "ancillari": 68, "ander": 108, "andersson": 19, "andrea": 108, "anh": 108, "ani": [0, 3, 5, 19, 26, 32, 47, 50, 56, 58, 60, 63, 68, 71, 93, 98, 99, 104, 105], "anita": 108, "anoth": [3, 18, 72, 85, 93], "ansatz": 107, "anti": [26, 45, 68, 75], "antibodi": 108, "anyon": 68, "anyth": 68, "api": [3, 17, 18, 19], "appear": [56, 75], "append": [3, 58, 60, 93], "appli": [3, 6, 18, 49, 56, 67, 68, 75, 94, 98, 99, 102, 103, 108], "applic": [19, 56, 68, 99, 105, 108], "appreci": 19, "approach": [2, 56, 75, 96, 107], "appropri": [46, 68, 75, 93, 94, 107], "approx": 7, "approxim": [32, 56, 60, 63, 64, 68, 71, 75, 97], "apt": 13, "aqueou": 108, "ar": [1, 2, 3, 6, 7, 13, 14, 15, 18, 19, 23, 26, 41, 42, 44, 46, 48, 49, 50, 53, 54, 55, 56, 57, 58, 60, 63, 64, 65, 67, 68, 69, 70, 71, 72, 73, 74, 75, 79, 81, 85, 86, 89, 90, 93, 94, 95, 96, 97, 98, 99, 100, 102, 103, 104, 105, 107], "arbitari": [3, 18], "arbitrari": [2, 3, 19, 55, 56, 57, 69, 79, 97, 101, 104], "arbitrarili": 107, "architectur": [1, 5], "area": [2, 58, 60, 63, 64, 65, 67, 68, 81, 99, 104], "areleas": 15, "arg": 4, "argument": [1, 6, 18], "aris": [68, 104, 107], "arithmet": 56, "around": [56, 78, 99, 102], "arrai": [46, 48, 58, 93, 107], "arrang": [68, 81], "art": 19, "articl": [68, 108], "artifici": 56, "arxiv": 108, "ascend": 58, "ashok": 108, "ask": 68, "asp": 108, "aspect": 107, "assert": 68, "asset": 68, "assign": [46, 75, 94], "associ": [26, 45, 56, 68, 75, 108], "assum": [13, 14, 15, 44, 60, 68, 73, 74, 75, 81, 93, 97, 98, 99, 107], "assumpt": [3, 18, 68, 89, 95, 97, 99, 102, 103, 107], "assur": 68, "asymmetr": 108, "asymptot": 56, "atrn_err": 42, "atrn_r": 42, "attach": [68, 93], "attempt": 68, "attila": 108, "attribut": [3, 18, 68], "aumeier": 108, "author": [68, 75], "autodiff": 6, "automat": [0, 17, 18, 57, 68, 107], "avail": [1, 2, 3, 7, 13, 14, 17, 18, 23, 37, 39, 40, 41, 42, 49, 51, 54, 58, 65, 67, 68, 69, 75, 86, 88, 90, 100, 107], "availab": 75, "averag": [56, 75], "avogadro": 81, "avoid": [68, 105, 107], "awai": 68, "ax": [2, 43, 58, 97, 99, 102, 103, 104], "axelsson": 108, "axial": [3, 48, 56, 57, 58, 60, 63, 64, 65, 67, 75, 94, 97, 99, 102, 103, 104], "axial_coordin": 48, "axial_dispers": 18, "b": [0, 3, 6, 32, 49, 68, 81, 85, 108], "b978": 108, "b978012801406600008x": 108, "b_": [32, 81, 101], "background": 5, "backward": [51, 58, 65, 107], "bad": 56, "balanc": [93, 99, 102, 103], "band": [58, 65, 99, 102, 103], "bar": [15, 69, 72, 75, 86, 88, 90], "barrier": 56, "barton": 108, "base": [2, 3, 18, 23, 26, 49, 50, 56, 57, 60, 65, 68, 71, 72, 74, 75, 80, 81, 83, 84, 94, 95, 104, 107, 108], "basic": [2, 68, 98], "batch": [9, 98], "bayesian": 108, "bdf": [2, 107], "bead": [46, 53, 58, 59, 60, 63, 64, 69, 75, 77, 86, 90, 95, 99, 102, 103, 104], "becaus": [3, 4, 15, 18, 68, 81, 107], "becom": [3, 6, 17, 56, 60, 81, 93, 107], "bed": 108, "bed_poros": 18, "been": [6, 68, 69, 79, 107], "befor": [3, 6, 93, 97, 107], "begin": [7, 26, 48, 49, 50, 56, 57, 65, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 93, 94, 95, 96, 97, 98, 99, 101, 102, 103, 104, 107], "behalf": 68, "behav": 55, "behavior": [58, 60, 63, 64, 65, 75, 81, 98, 99, 108], "behaviour": 56, "being": [1, 4, 7, 68, 75, 94, 99, 102, 103, 104], "believ": 68, "below": [13, 14, 15, 26, 50, 68, 71, 81, 98, 104, 107], "benchmark": 1, "benedikt": 108, "benefit": [15, 68, 107], "berlin": 108, "bernt": 108, "besid": 2, "best": [5, 7, 19, 58, 65, 68, 93], "beta": [21, 28, 73, 74, 77], "beta_0": [73, 74], "beta_1": [73, 74], "beta_c": [99, 102], "beta_i": [70, 77], "beta_t": 103, "better": [5, 15, 19, 56, 57, 58, 60, 63], "between": [2, 3, 7, 18, 37, 56, 57, 58, 60, 63, 68, 69, 71, 79, 85, 86, 89, 93, 104, 107], "beyond": 68, "bi": [26, 45, 75, 85], "bi_steric_mass_act": 20, "bibtex": 106, "biggl": 81, "biggr": 81, "bigl": 81, "bigr": 81, "bin": [3, 4, 15], "binari": [15, 16, 108], "bind": [2, 3, 5, 17, 18, 20, 21, 23, 24, 25, 37, 39, 40, 41, 44, 45, 46, 56, 58, 59, 60, 63, 64, 69, 70, 71, 72, 73, 74, 76, 78, 79, 81, 82, 85, 86, 87, 88, 90, 92, 98, 99, 102, 103, 107], "binding_model": 18, "bindingmodelfactori": 6, "bio": 19, "biolog": 104, "biologi": 108, "biopolym": 108, "biot": 108, "biotechnologi": 108, "biphas": 104, "bisma_ka": 20, "bisma_kd": 20, "bisma_lambda": 20, "bisma_nu": 20, "bisma_refc0": 20, "bisma_refq": 20, "bisma_sigma": 20, "bla": 1, "black": 2, "block": [7, 15, 58, 65, 98], "bmatrix": [65, 104], "bnd": [95, 98, 99, 103], "bodi": 68, "boldsymbol": 104, "boston": 108, "both": [1, 3, 6, 46, 48, 56, 57, 58, 60, 63, 64, 67, 68, 75, 85, 93, 95, 99, 101, 102, 103], "bound": [3, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 46, 54, 58, 59, 60, 63, 64, 70, 73, 74, 75, 77, 81, 85, 86, 88, 90, 95, 98, 99, 103, 107], "boundari": [3, 18, 43, 56, 58, 60, 97, 99, 102, 103, 104], "boundary_model": [3, 43], "box": [2, 68], "bracket": 7, "branch": [0, 6, 7, 47], "break": [7, 19, 57], "breakpoint": [1, 4], "breakthrough": [3, 18], "breviti": [26, 50, 104], "brew": 14, "brief": [56, 68], "briefli": 2, "broaden": [99, 102, 103], "broberg": 108, "broken": 7, "brook": 108, "brown": 108, "browser": 0, "budd": 108, "budget": 107, "build": [0, 2, 3, 4, 5, 6, 7, 16, 17, 18, 19, 98], "build_shared_lib": 7, "builder": 17, "buildsystem": 15, "built": [3, 16, 18, 47], "bulk": [3, 46, 48, 51, 53, 58, 59, 60, 63, 64, 65, 75, 99, 102, 103], "burkhard": 108, "busi": 68, "buyel": [73, 108], "bwd": 95, "b\u00fchler": [104, 108], "c": [2, 3, 6, 13, 14, 15, 17, 18, 19, 32, 53, 58, 60, 68, 71, 75, 80, 81, 83, 84, 91, 95, 97, 98, 99, 101, 102, 103, 104, 108], "c1": 108, "c18": 108, "c_": [32, 52, 60, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 81, 82, 85, 86, 87, 88, 90, 93, 96, 97, 99, 102, 103, 104], "c_0": [73, 74, 75], "c_i": [75, 80, 83, 84, 98, 99, 101], "c_j": [83, 91, 98, 99, 102], "c_k": 80, "c_p": 71, "cadet": [2, 5, 6, 16, 44, 46, 47, 56, 60, 63, 64, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 92, 93, 94, 104, 107], "cadet_branch": 47, "cadet_commit": 47, "cadet_path": 3, "cadet_vers": 47, "cadetframework": 15, "cadetprocess": 18, "calcul": [6, 51, 60, 63, 64, 90, 93, 95, 99, 107], "call": [2, 3, 6, 7, 17, 43, 68, 107], "can": [0, 1, 2, 3, 4, 5, 6, 7, 13, 14, 15, 17, 18, 19, 26, 32, 44, 46, 49, 50, 56, 57, 58, 60, 63, 67, 68, 69, 70, 71, 75, 77, 81, 85, 86, 89, 93, 94, 95, 97, 98, 99, 101, 102, 103, 104, 105, 107], "cannot": [46, 68, 99], "cap": 99, "capabl": [1, 5, 88], "capac": [18, 20, 21, 23, 24, 25, 28, 29, 30, 31, 33, 34, 35, 36, 37, 39, 40, 41, 69, 75, 79, 82, 90, 99], "capit": 2, "captur": [56, 81, 107], "carefulli": 7, "carol": 108, "carri": 68, "case": [1, 3, 6, 7, 15, 18, 26, 50, 58, 59, 60, 63, 65, 68, 70, 71, 78, 81, 89, 93, 96, 97, 99, 105, 107], "caus": [3, 26, 50, 56, 68, 75, 99, 102, 103], "cd": 15, "cdot": [3, 20, 30, 31, 32, 48, 49, 51, 52, 57, 58, 59, 60, 63, 64, 65, 81, 97, 99], "ce": 108, "ceas": 68, "ceat": 108, "cell": [3, 56, 58, 60, 63, 65, 99, 107], "cellsel": [60, 63, 64], "center": 97, "certain": [2, 46, 56, 68, 75, 105], "cessat": 68, "cfm": 108, "chain": 107, "challeng": 108, "chang": [0, 1, 3, 6, 7, 13, 14, 15, 18, 19, 24, 25, 44, 46, 55, 56, 67, 68, 71, 75, 93, 94, 95, 99, 104, 107], "channel": [17, 19, 65, 104], "channel_cross_section_area": 65, "chapter": [2, 3, 18, 46, 107, 108], "character": [56, 68, 81, 99], "characterist": [20, 21, 23, 28, 37, 39, 40, 41, 72, 77, 89, 90], "charg": [20, 23, 37, 39, 40, 41, 68, 72, 89, 90], "chart": 104, "check": [3, 17, 107], "checkout": 7, "chemic": [9, 19, 58, 59, 60, 62, 63, 64, 65, 66, 95, 104, 108], "choic": [44, 45, 60, 63, 64, 75], "choos": [3, 68, 75], "chosen": [6, 57, 60, 63, 64, 93, 104, 107], "chroma": 108, "chromatogram": [19, 53, 78, 97, 99, 108], "chromatograph": [58, 59, 60, 62, 63, 64, 65, 66, 107, 108], "chromatographi": [9, 19, 56, 77, 81, 90, 102, 104, 108], "chromatographia": 108, "ci": 7, "circumst": 68, "circumv": 99, "circumvent": 68, "citat": 108, "civil": 68, "claim": 68, "clang": [13, 14], "clark": 108, "class": [2, 3, 18, 68, 75, 104, 108], "classic": [57, 58, 60, 63], "clayton": 108, "clean": 6, "clear": 68, "clearli": 68, "cli": [1, 2, 3, 4, 15], "click": 15, "clock": 56, "clone": [7, 13, 14, 15], "close": [68, 93, 107], "closest": 7, "cmake": [1, 6, 13, 14, 15], "cmake_source_dir": 6, "cmakecommandarg": 7, "cmakelist": [4, 6, 7], "cmakeset": [5, 7], "cmd": 15, "coars": 56, "cocentr": 71, "code": [1, 4, 6, 7, 13, 14, 56, 68], "coeffici": [3, 22, 23, 29, 31, 34, 35, 38, 40, 57, 58, 60, 62, 63, 64, 65, 67, 75, 93, 97, 99, 104, 107, 108], "coffici": 3, "col_bpp_ph_exp": 32, "col_bpp_salt_expargmult": 32, "col_bpp_salt_expfact": 32, "col_bpp_salt_powex": 32, "col_bpp_salt_powfact": 32, "col_cordnum": 32, "col_dispers": [3, 46, 58, 60, 63, 64, 65, 67], "col_dispersion_dep": 49, "col_dispersion_dep_ab": 49, "col_dispersion_dep_bas": 49, "col_dispersion_dep_expon": 49, "col_dispersion_multiplex": [58, 60, 63, 64, 65, 67], "col_dispersion_radi": 58, "col_dispersion_radial_multiplex": 58, "col_kappa_const": 32, "col_kappa_exp": 32, "col_kappa_fact": 32, "col_kkin": 32, "col_length": [3, 58, 60, 63, 64, 65, 67], "col_linear_threshold": 32, "col_logkeq_ph_exp": 32, "col_logkeq_salt_expargmult": 32, "col_logkeq_salt_expfac": 32, "col_logkeq_salt_powexp": 32, "col_logkeq_salt_powfac": 32, "col_phi": 32, "col_poros": [3, 58, 60, 63], "col_protein_radiu": 32, "col_radiu": 58, "col_radius_inn": 67, "col_radius_out": 67, "col_use_ph": 32, "colin": 108, "collabor": 5, "collect": [68, 93, 99], "colloc": 56, "colloid": [26, 45, 60, 75], "colon": [2, 75, 94, 97, 99, 102, 103], "colpo": 6, "column": [2, 3, 19, 26, 46, 48, 49, 50, 56, 57, 58, 60, 63, 64, 65, 67, 93, 97, 99, 102, 103, 104], "column_radiu": 58, "columnposit": 6, "com": [0, 13, 14, 15, 19, 108], "combin": [54, 58, 60, 63, 64, 68, 93, 98, 107], "come": 68, "comma": 107, "command": [1, 2, 7, 68], "comment": 6, "commerci": 68, "commit": [2, 19, 47, 68], "common": [2, 56, 68, 101], "commonli": 94, "commun": [15, 68], "comp": [69, 70, 71, 72, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 93, 95, 99], "comp0bnd0": 46, "comp0bnd1": 46, "comp0bnd2": 46, "comp1bnd0": 46, "comp1bnd1": 46, "comp1bnd2": 46, "companion": 107, "compar": [1, 3, 7], "comparison": [56, 72, 75, 100, 108], "compart": [58, 65, 104], "compartment": 108, "compat": 2, "compens": [69, 86, 90], "compet": 82, "competit": [56, 69, 75, 79, 85, 86], "compil": [1, 14, 15, 17, 58, 65, 68], "complement": [2, 67, 99, 102, 103, 104], "complet": [3, 15, 16, 92, 103], "complex": [56, 108], "compli": 68, "complianc": 68, "complic": [93, 107], "compon": [2, 3, 6, 7, 18, 21, 22, 23, 27, 37, 40, 44, 45, 46, 48, 52, 53, 54, 56, 57, 58, 59, 60, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 77, 86, 87, 90, 91, 93, 95, 96, 98, 99, 101, 102, 103, 104, 107], "component_system": 18, "componentsystem": 18, "compos": 93, "composit": 42, "comprehens": [5, 19, 56, 99], "compris": [3, 18], "comput": [1, 2, 3, 6, 7, 19, 49, 54, 56, 58, 59, 60, 63, 64, 65, 68, 93, 104, 107, 108], "computation": [2, 56, 107], "con": 93, "concav": 78, "concentr": [2, 3, 18, 20, 23, 24, 25, 26, 32, 37, 39, 40, 41, 56, 58, 59, 60, 62, 63, 64, 65, 69, 72, 76, 77, 80, 81, 83, 84, 86, 88, 90, 91, 92, 95, 96, 98, 99, 101, 104], "concept": [44, 56, 69, 72, 86, 88, 90], "concern": 68, "concis": [6, 49], "conclud": 107, "conda": [17, 19], "condit": [58, 60, 68, 69, 86, 90, 97, 99, 102, 103, 104, 107], "confid": 6, "config": 7, "configur": [1, 3, 4, 6, 7, 15, 18, 44, 45, 58, 59, 60, 63, 64, 65, 67, 93, 94], "configuremodeldiscret": 6, "confirm": 15, "connect": [5, 44, 45, 68, 92, 99, 105, 107], "connection_cub": 57, "connection_lin": 57, "connection_quad": 57, "connections_include_dynamic_flow": 57, "connections_include_port": 57, "consequ": [68, 93, 99, 101, 107], "consequenti": 68, "conserv": 104, "consid": [3, 7, 32, 56, 68, 70, 71, 75, 77, 85, 95, 97, 99, 102, 103, 104, 107], "consider": 7, "consist": [2, 7, 17, 44, 45, 55, 58, 60, 63, 64, 65, 68, 93], "consistency_solv": [44, 45], "consistent_init_mod": 55, "consistent_init_mode_sen": 55, "conspicu": 68, "const": 6, "const_coeff": [3, 57, 62], "const_solid_volum": 59, "constant": [3, 18, 20, 21, 23, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 39, 40, 41, 45, 51, 52, 57, 58, 62, 71, 72, 81, 92, 94, 96, 97, 99, 104], "constantli": [3, 68], "constitut": [68, 108], "constru": 68, "construct": [1, 75, 94], "consult": 5, "consum": [68, 107], "contact": 68, "contain": [2, 3, 7, 26, 46, 50, 56, 65, 68, 93, 104, 107], "contant": 75, "content": 68, "context": [68, 104], "continu": [3, 6, 7, 15, 18, 44, 45, 55, 56, 61, 68, 97, 99, 100, 102, 103, 107, 108], "contractu": 68, "contradict": 68, "contrari": [57, 97, 107], "contrast": [68, 93], "contribut": [5, 6, 108], "contributor": [19, 68], "control": [3, 56, 57, 58, 60, 63, 68, 99, 107], "convect": [99, 102, 103], "convectiondispersionoper": 2, "convei": 68, "conveni": [17, 68], "convent": 46, "converg": [7, 44, 45, 55, 107], "convers": [37, 56], "convert": [2, 58, 65], "convex": 78, "convey": 68, "coordin": [32, 44, 53, 58, 60, 81, 97, 99, 102, 103], "copi": [3, 6, 7, 68], "copyleft": 68, "copyright": 68, "core": [1, 2, 3, 5, 6, 18, 26, 50, 58, 60, 99], "core_test": 7, "coredebug": 4, "correct": [4, 7, 68, 107], "correctli": 6, "correl": 75, "correspond": [2, 3, 4, 6, 7, 18, 26, 46, 52, 68, 75, 93, 95, 101, 105, 107], "cost": [68, 107], "costli": 3, "could": [2, 3, 18, 46, 68], "counter": 90, "counterclaim": 68, "counterion": [20, 23, 37, 39, 40, 41], "counterpart": 93, "countri": 68, "coupl": [19, 93, 104], "cours": [68, 107], "court": 68, "coven": 68, "cover": [68, 104], "coverag": [68, 81], "cp": 18, "cpp": [6, 7], "cpstatetyp": 6, "cpu": 3, "cramer": 108, "creat": [3, 5, 6, 7, 13, 14, 15, 18, 19, 46, 48, 53, 56, 92, 107], "createlw": 15, "criterion": 68, "cross": [2, 58, 60, 63, 64, 65, 67, 68, 97, 99, 104], "cross_section_area": [3, 58, 60, 63, 64, 67], "crucial": 56, "crude": 97, "crystal": 19, "csaba": 108, "cstr": [3, 18, 45, 61, 100], "cube_coeff": [3, 57, 62], "cubic": [2, 3, 18, 57, 62, 93, 101], "cure": 68, "current": [1, 2, 44, 46, 57, 67, 104, 107], "custom": [2, 6, 15, 17, 56, 68, 81], "customarili": 68, "cycl": [2, 93], "cycle_tim": 18, "cyclic": [18, 57], "cylind": [58, 60, 63, 99], "d": [3, 32, 60, 68, 69, 70, 72, 73, 74, 75, 76, 77, 78, 79, 81, 82, 85, 86, 87, 88, 90, 98, 104, 107, 108], "d_": [2, 43, 60, 97, 99, 101, 102, 103, 104], "d_1": 104, "d_j": [91, 97, 98, 99, 102], "d_n": 104, "dae": [2, 107], "dai": 68, "damag": 68, "damp": 42, "dan": 108, "danckwert": [97, 99, 102, 103, 104, 108], "dang": 108, "danger": 68, "data": [2, 3, 6, 7, 18, 19, 30, 31, 44, 45, 57, 60, 63, 68, 104, 107], "databas": 7, "dataset": [3, 26, 44, 50, 53, 75, 94], "date": 68, "david": 108, "dbla_vendor": [1, 13, 14, 15], "dc_p": 71, "dcmake_build_typ": 15, "dcmake_install_prefix": [1, 13, 14, 15], "dcmake_install_rpath_use_link_path": 1, "dcmake_toolchain_fil": 15, "ddot": [65, 104], "de": [2, 19], "dead": 93, "dean": 108, "debug": [1, 5, 7, 15], "debug_with_test": 1, "debugg": 4, "debuggu": 4, "deby": 81, "decai": 104, "decemb": [68, 108], "decid": [3, 18, 68], "declin": 68, "decompos": 107, "decomposit": [58, 65, 101], "decoupl": [75, 95], "decreas": 89, "dedic": 48, "deem": 68, "default": [1, 4, 6, 13, 17, 20, 23, 37, 39, 40, 41, 42, 44, 45, 47, 49, 51, 53, 55, 56, 57, 58, 59, 61, 93, 95, 97, 99, 102, 103], "defect": 68, "defens": 68, "defin": [2, 3, 6, 7, 18, 48, 49, 56, 57, 58, 60, 63, 64, 65, 68, 69, 70, 71, 72, 73, 74, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 92, 94, 96, 104, 107], "definit": [18, 68], "degerman": 108, "degrad": [75, 95], "degre": [46, 56, 60, 63, 64, 75, 89, 94], "deleg": 2, "delta": 107, "demo": 19, "demonstr": [3, 104], "denable_2d_model": 1, "denable_analytic_jacobian_check": 1, "denable_benchmark": 1, "denable_cadet_cli": 1, "denable_cadet_tool": 1, "denable_debug_thread": 1, "denable_dg": 1, "denable_ipo": 1, "denable_log": 1, "denable_packaged_sundi": 1, "denable_platform_tim": 1, "denable_static_link_cli": 1, "denable_static_link_dep": [1, 7, 15], "denable_static_link_lapack": [1, 7, 15], "denable_sundials_openmp": 1, "denable_test": [1, 7], "denable_thread": 1, "deni": 68, "denomin": [68, 93], "denot": [2, 3, 21, 26, 46, 50, 56, 69, 75, 77, 86, 90, 93, 94, 97, 98, 99, 103, 104, 107], "dens": [6, 58, 65], "densiti": [104, 108], "dep": 49, "depend": [0, 1, 2, 6, 7, 15, 17, 19, 21, 23, 40, 44, 45, 56, 58, 60, 63, 64, 65, 67, 72, 89, 92, 97, 98, 99, 107], "deploy": 56, "deprec": 2, "depriv": 68, "deriv": [2, 6, 26, 48, 50, 53, 56, 57, 58, 59, 60, 63, 64, 65, 71, 95, 104, 107], "describ": [2, 3, 6, 7, 18, 21, 24, 25, 28, 44, 67, 73, 77, 81, 88, 89, 93, 94, 98, 99, 102, 103, 104], "descript": [3, 6, 56, 67, 99], "deselect": 15, "design": [2, 7, 19, 44, 68, 107], "desir": 56, "desktop": 15, "desorpt": [3, 18, 20, 21, 23, 24, 25, 27, 28, 29, 30, 33, 36, 37, 39, 40, 41, 72, 75, 77, 104], "desorption_r": 18, "destin": [3, 65, 93], "detail": [3, 5, 6, 7, 16, 18, 44, 45, 46, 67, 68, 92], "detector": 19, "determin": [3, 6, 21, 53, 55, 56, 57, 58, 59, 60, 63, 64, 65, 68, 71, 78, 81, 90, 93, 97, 104, 107], "dev": [13, 14], "develop": [3, 7, 15, 68, 104], "deviat": [102, 103], "devic": 68, "dg": [1, 44, 45, 60, 63, 64], "di": 108, "diagol": 104, "diagon": 104, "diagram": 2, "diamet": [18, 99, 102, 103], "dict": 3, "dictionari": 3, "differ": [2, 3, 6, 20, 23, 26, 37, 40, 44, 46, 49, 50, 56, 58, 59, 60, 63, 64, 68, 69, 79, 85, 86, 91, 93, 94, 98, 99, 104, 107, 108], "differenti": [2, 5, 19, 54, 56, 58, 59, 60, 64, 65, 104, 107, 108], "diffus": [3, 18, 49, 58, 60, 63, 99, 100, 102, 104, 108], "digit": [47, 107], "dilut": [24, 25, 95], "dimens": [3, 48, 97, 104], "dimension": [30, 31, 44, 45, 61, 81, 100, 104], "dimer": 88, "direct": [3, 6, 18, 57, 58, 60, 63, 64, 65, 67, 68, 93, 102, 103, 104, 107, 108], "directli": [68, 75, 94, 95], "directori": [0, 6, 13, 14, 15], "disabl": [48, 58, 59, 60, 63, 99], "disclaim": 68, "discontin": 55, "discontinu": [3, 45, 55, 56, 61, 93, 101, 107], "discret": [2, 6, 44, 45, 48, 49, 53, 54, 61, 97, 99, 107], "discriminatori": 68, "discuss": 107, "disjoint": 97, "dispers": [49, 56, 58, 60, 63, 64, 65, 67, 78, 93, 97, 99, 100, 102, 103, 104, 107], "displac": 108, "displai": 68, "distanc": 108, "distinct": [26, 50, 67], "distinguish": [7, 68], "distribut": [9, 13, 68, 81, 97, 99, 102, 103, 104, 108], "distro": 13, "div": [99, 102, 103], "divers": 5, "divid": [46, 70, 75, 94, 97, 107], "dl": 108, "do": [3, 6, 7, 19, 26, 67, 68, 99, 107], "doc": [0, 14], "document": [2, 3, 5, 6, 18, 67, 68], "doe": [3, 4, 18, 44, 46, 52, 56, 68, 93, 96, 98, 107], "doesnt": 7, "dof": [48, 56], "doi": 108, "doid": 108, "domain": [56, 68, 99], "don": 75, "done": [6, 15, 93], "doning": 108, "dot": [2, 3, 6, 55, 57, 58, 60, 63, 64, 65, 69, 71, 72, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 93, 97, 99, 101, 104, 107], "doubl": [6, 15, 20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 47, 48, 49, 51, 52, 54, 55, 57, 58, 59, 60, 62, 63, 64, 65, 67, 99, 102, 103], "doubt": 68, "download": [3, 15, 17, 18], "downstream": [68, 93], "dpfr": 103, "dq": [71, 75, 81], "dr": 19, "draft": 5, "drastic": 3, "drive": [22, 31, 34, 35, 71, 80, 83, 84, 92, 104], "driver": 4, "dropdown": 7, "dt": [75, 81], "due": [2, 56, 71, 75, 90, 95, 97, 99, 104, 107], "durabl": 68, "durat": 18, "dure": [1, 3, 15, 60, 107], "duti": 98, "dvcpkg_target_triplet": [1, 15], "dwell": 68, "dynam": [1, 2, 3, 18, 68, 75, 92, 98, 99, 102, 103, 107], "e": [1, 2, 3, 4, 5, 6, 7, 17, 18, 19, 32, 46, 53, 56, 57, 58, 60, 63, 65, 67, 68, 70, 72, 73, 74, 75, 77, 81, 85, 86, 93, 94, 95, 97, 98, 99, 101, 102, 103, 104, 105, 107, 108], "e_": 104, "each": [2, 3, 7, 18, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 46, 50, 53, 55, 56, 58, 59, 60, 63, 64, 65, 68, 69, 75, 86, 90, 92, 93, 94, 97, 99, 101, 102, 103, 104, 107], "earli": 4, "earlier": [3, 68], "easi": [2, 7], "easiest": [6, 7, 15], "easili": [2, 93], "ecotoxicologi": 108, "edg": 93, "edit": [15, 108], "editor": 108, "educ": 3, "ef": [32, 81], "effect": [56, 58, 60, 68, 69, 75, 79, 85, 86, 94, 99], "effici": [2, 15, 19, 60, 108], "effort": 68, "eigen": 14, "either": [6, 13, 14, 15, 56, 58, 67, 68, 70, 77, 93, 107], "el": 108, "elabor": 104, "electro": [69, 90], "electron": 68, "electrostat": [81, 108], "element": [3, 56, 60, 104, 107], "ell": [86, 89, 91, 93, 95, 97, 98, 99, 102, 103, 104], "ell_": [98, 99, 104], "ell_i": [91, 97, 98, 99, 102, 103], "ell_l": 104, "els": 3, "elsevi": 108, "elsewher": 7, "elut": [3, 9, 46, 108], "embodi": 68, "emiss": 104, "emphas": [7, 67], "empir": 71, "emploi": [56, 76], "employ": 68, "empm_beta": 21, "empm_comp_mod": 21, "empm_gamma": 21, "empm_ka": 21, "empm_kd": 21, "empm_qmax": 21, "empti": [3, 18, 107], "enabl": [1, 6, 7, 48, 57, 58, 60, 63, 65, 68, 97, 107], "enable_dg": 6, "enable_grm_2d": 6, "encapsul": 2, "encompass": 7, "end": [2, 3, 6, 18, 26, 49, 50, 55, 56, 65, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 93, 94, 95, 96, 97, 98, 99, 101, 102, 103, 104, 107], "endpoint": [58, 60, 107], "enforc": 68, "engin": [5, 19, 56, 108], "enhanc": 56, "enough": [15, 56], "ensur": [6, 7, 18, 68, 104], "enter": [3, 18, 68, 99], "entir": 68, "entiti": [68, 75], "entri": [3, 6, 18, 26, 52, 93], "env": 15, "environment": 108, "enzym": 99, "eoc": [7, 56], "eoc_k": 56, "epsilon": [32, 71, 81], "eq": [75, 80, 83, 84, 93, 95, 97, 99, 102, 107], "equal": [3, 18], "equat": [2, 6, 19, 20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 33, 34, 35, 36, 37, 38, 39, 40, 41, 55, 56, 58, 59, 60, 62, 63, 64, 65, 66, 67, 69, 70, 75, 81, 85, 86, 88, 90, 95, 98, 99, 102, 103, 104, 107, 108], "equidist": 58, "equidistant_par": [3, 58, 60], "equilibria": 108, "equilibrium": [3, 18, 32, 71, 80, 81, 83, 84, 92, 95], "equillibrium": [31, 34, 35], "equip": [3, 18, 93, 97], "equiv": [99, 102, 103], "equival": [6, 68, 75], "equivolum": 58, "equivolume_par": [58, 60], "equlibrium": 75, "era": 108, "eric": [19, 108], "erron": 68, "error": [3, 15, 55, 56, 57, 58, 60, 63, 107], "errortest_sen": [55, 107], "especi": [3, 7, 14, 17, 46, 56, 107], "essenti": [6, 13, 68, 93, 107], "est": 108, "establish": [2, 6], "estim": [56, 107], "et": [6, 74, 104], "etc": [3, 15, 19, 53, 99], "eugen": 108, "evalu": [1, 2, 3, 18, 55, 107], "even": [3, 4, 5, 6, 15, 18, 19, 68, 93], "evenli": 81, "event": [18, 68, 107], "ever": 68, "everi": [1, 3, 6, 7, 18, 46, 68, 93, 95], "everyon": 68, "everyth": [6, 15], "evolut": 98, "evolv": 44, "ex": [4, 7, 15], "exact": [56, 68, 107], "exact_integr": [56, 60, 63, 64], "exactli": [3, 69, 79, 93], "exampl": [2, 3, 6, 7, 18, 46, 68, 71, 75, 94, 95, 99, 104, 107], "examplebind": 6, "exce": [3, 107], "excel": [56, 60, 63, 64], "except": [3, 6, 7, 15, 26, 50, 56, 68, 93, 102], "exchang": [21, 26, 28, 36, 40, 41, 45, 65, 69, 75, 77, 79, 81, 85, 86, 89, 90, 104, 108], "exchange_matrix": 65, "exclud": [47, 68, 104, 107], "exclus": [1, 68, 102], "excus": 68, "execut": [1, 3, 7, 13, 14, 15, 17, 47, 68], "exemplari": 104, "exemplifi": 75, "exercis": [5, 68], "exhibit": [56, 107], "exist": [6, 7, 26, 50], "exlus": 99, "exp": [60, 72, 81], "expand": 5, "expans": [2, 5], "expect": [3, 7, 56, 58, 60, 63, 68, 93], "experi": [56, 98], "experiment": [7, 56, 104], "explain": [3, 18, 68, 69, 72, 86, 88, 90], "explan": [6, 46], "explicit": 75, "explicitli": [3, 46, 67, 68], "explor": 15, "expon": [22, 32, 49, 50, 51, 95], "exponenti": 60, "export": [2, 13, 14], "express": 68, "expressli": 68, "ext": 57, "ext_": [75, 94], "ext_mass_action_law": 94, "ext_multi_component_langmuir": 75, "ext_xxx": [26, 50], "ext_xxx_yyi": [26, 50], "ext_xxx_yyy_t": [26, 50], "ext_xxx_yyy_tt": [26, 50], "ext_xxx_yyy_ttt": [26, 50], "extend": [2, 5, 17, 26, 44, 45, 68, 69, 75, 78, 79], "extended_mobile_phase_modul": 21, "extens": [2, 6, 7, 19, 68, 70], "extent": [68, 93], "extern": [2, 3, 21, 44, 45, 51, 92, 107], "extfun": [26, 50, 75, 94], "extfun_typ": [44, 45], "extra": 107, "extractjacobianfromad": 6, "extrem": [99, 107], "f": [2, 6, 32, 53, 68, 71, 75, 81, 95, 97, 99, 102, 107, 108], "f_": [2, 91, 93, 94, 95, 96, 97, 98, 99, 101, 102, 103, 104], "face": 99, "facil": 68, "facilit": 17, "fact": 107, "factor": [20, 23, 32, 37, 38, 39, 40, 41, 42, 54, 56, 57, 58, 60, 63, 78, 81, 89, 90, 99], "factori": 6, "fail": [3, 68, 98, 107], "failur": [55, 68, 107], "fair": 68, "fall": 98, "fals": [3, 6, 18], "famili": [19, 68, 104], "far": [19, 56], "fashion": 68, "fast": [14, 19, 58, 65], "faster": [1, 3, 14, 17, 19, 56, 58, 59, 60, 63, 64, 65, 75], "fastest": [46, 107], "favor": [60, 68], "featur": [5, 7, 26, 44, 68, 92, 94, 107], "februari": 108, "fed": 3, "fee": 68, "feed": [93, 97, 101], "feeheri": 108, "feel": 5, "feling": 108, "felix": 108, "ferment": 19, "few": [89, 107], "ffsensitivityparam": 107, "field": [3, 7, 21, 46, 48, 49, 56, 58, 59, 60, 63, 64, 65, 67, 93, 99, 102, 103, 104], "fifth": [2, 93], "fig": [46, 99, 102, 104, 107], "figur": [2, 3, 104], "file": [1, 3, 4, 6, 7, 13, 14, 15, 18, 47, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 92, 94], "file_format": [44, 47], "filenam": 3, "fill": [99, 102, 103], "film": [3, 18, 49, 58, 60, 63, 99, 100, 102], "film_diffus": [3, 18, 46, 58, 60, 63], "film_diffusion_dep": 49, "film_diffusion_multiplex": [58, 60, 63], "filter": 98, "filtrat": 19, "final": [1, 3, 6, 18, 68, 93, 99], "find": [4, 5, 7, 19, 68, 107], "fine": [1, 56], "finish": 15, "finit": [45, 54, 56, 61, 99], "first": [3, 6, 7, 15, 18, 26, 36, 40, 50, 52, 56, 58, 67, 68, 71, 72, 81, 93, 104, 107], "fit": [68, 81, 108], "five": 93, "fix": [7, 19, 56, 60, 68, 107], "fix_zero_surface_diffus": 60, "fjactor": 60, "flag": [7, 93], "flag1": 7, "flag2": 7, "fldf_kf": 22, "fldf_kkin": 22, "fldf_n": 22, "flexibl": [19, 60, 93], "flow": [2, 3, 7, 18, 44, 45, 57, 58, 59, 60, 61, 63, 64, 65, 68, 91, 92, 98, 100, 104, 105, 107, 108], "flow_rat": 18, "flow_sheet": 18, "flowrate_filt": 59, "flowsheet": 18, "fluid": [98, 99, 102, 103], "flux": [6, 44, 45, 48, 53, 56, 58, 60, 63, 64, 65, 67, 75, 94, 95, 96, 97, 99, 104], "fluximpl": 6, "fold": 85, "folder": [0, 3, 4, 6, 7, 15], "follow": [1, 2, 3, 6, 7, 15, 18, 19, 46, 49, 56, 57, 67, 68, 75, 81, 93, 99, 102, 103, 104], "foral": [97, 99, 102, 103, 104], "forbid": 68, "forc": [22, 31, 34, 35, 68, 71, 80, 83, 84, 92, 104], "forg": [17, 19], "fork": 19, "form": [1, 2, 68, 71, 75, 95, 96, 99], "format": [3, 6, 19, 26, 47, 50, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 92, 93, 94], "formul": [6, 56, 74, 104, 107], "formula": [56, 107], "forschungszentrum": 19, "forum": [6, 19], "forward": [2, 3, 18, 51, 55, 58, 65, 94, 97, 99, 107], "found": [7, 68, 104], "foundat": 68, "four": [26, 50, 99], "fourth": 101, "frac": [2, 6, 56, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 93, 95, 96, 97, 98, 99, 102, 103, 104, 107], "fraction": [58, 59, 60, 63, 91, 98, 99, 105], "framework": [1, 44], "free": [5, 68, 90], "freedom": [46, 56, 68, 89], "freeli": [13, 14], "frequenc": 56, "fresh": 15, "freundlich": [26, 45, 75], "freundlich_ldf": 22, "frit": [97, 99], "from": [1, 2, 3, 6, 7, 16, 18, 19, 23, 36, 40, 41, 46, 47, 51, 56, 57, 58, 59, 60, 63, 64, 65, 68, 71, 75, 86, 89, 90, 93, 94, 97, 99, 102, 103, 104, 107], "front": [18, 56, 78, 107], "frontend": [2, 3, 18], "fsf": 68, "fulfil": 68, "full": [48, 53, 55, 57, 58, 59, 60, 63, 64, 65, 68, 93, 99, 107], "fulli": [2, 49, 56, 93], "function": [1, 2, 3, 6, 7, 26, 32, 51, 56, 57, 68, 81, 92, 99, 104, 107, 108], "function_react": 50, "fund": 19, "fundament": [68, 108], "funtion": 75, "further": [18, 19, 58, 60, 63, 64, 65, 68, 100, 104], "furthermor": [6, 107], "fuse": 107, "futur": [67, 68], "fv": [49, 56, 60, 63, 64, 65, 67], "fwd": [94, 95], "fzj": 19, "g": [2, 3, 4, 5, 6, 7, 15, 17, 18, 46, 56, 67, 72, 75, 85, 86, 93, 94, 95, 98, 99, 101, 104, 105, 107, 108], "g_": 107, "galerkin": [45, 56, 61], "gamma": 77, "gamma_i": [70, 77], "gang": 108, "gap": 5, "gauss": 56, "gcc": [13, 14], "ge": [20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 39, 40, 41, 42], "gel": 108, "gener": [1, 2, 6, 7, 15, 19, 26, 44, 45, 46, 56, 59, 61, 63, 64, 65, 67, 68, 75, 78, 81, 93, 95, 100, 102, 103, 107], "general_rate_model": [3, 45, 61], "general_rate_model_2d": [45, 61], "generalized_ion_exchang": 23, "generalratemodel": [2, 18], "genr": 108, "geometri": [3, 18, 58, 60, 63, 100], "georg": 108, "geoscienc": 19, "geq": [51, 54, 55, 56, 57, 58, 59, 60, 62, 63, 64, 65, 66, 67, 69, 79, 93, 97, 99], "get": [13, 15, 68, 104], "giex_ka": 23, "giex_ka_lin": 23, "giex_ka_prot": 23, "giex_ka_quad": 23, "giex_ka_salt": 23, "giex_kd": 23, "giex_kd_lin": 23, "giex_kd_prot": 23, "giex_kd_quad": 23, "giex_kd_salt": 23, "giex_lambda": 23, "giex_nu": 23, "giex_nu_lin": 23, "giex_nu_quad": 23, "giex_refc0": 23, "giex_refq": 23, "giex_sigma": 23, "git": [5, 13, 14, 15, 47], "github": [0, 5, 7, 13, 14, 15, 19], "give": [2, 3, 7, 18, 56, 68, 92, 93, 107], "given": [2, 3, 6, 18, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 50, 56, 58, 60, 63, 64, 67, 68, 69, 70, 71, 72, 75, 80, 83, 84, 85, 86, 88, 90, 93, 94, 95, 96, 97, 98, 99, 100, 101, 102, 103, 104, 107], "global": [44, 67], "globular": 108, "gmre": [57, 58, 60, 63], "gnu": 68, "go": [1, 6], "goal": 2, "godunov": 56, "goe": 3, "good": [6, 7], "gov": 108, "govern": [68, 97, 98, 99], "gpl": 68, "gradient": [56, 60, 63, 64, 108], "grain": 1, "gram": [57, 58, 60, 63], "grant": [68, 108], "graph": [18, 93], "grati": 68, "greatest": 68, "gregor": 108, "grid": [3, 56, 107], "griesbach": 108, "grm": [2, 49, 56, 60, 67, 97, 100, 102], "grm2d": [58, 100], "group": [3, 18, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 44, 50, 51, 52, 61, 93, 97, 107], "gs_type": [3, 57, 58, 60, 63], "gt": [20, 23, 29, 31, 33, 34, 35, 36, 37, 39, 40, 41, 42, 56], "gu": 108, "guarante": 68, "guard": 6, "gui": 68, "guid": [3, 7, 18, 55, 57, 58, 60, 63], "guidanc": 5, "guidelin": 5, "guiochon": 108, "h": [107, 108], "h5": [3, 4, 6, 7, 15], "h5tojson": 7, "h_i": 87, "ha": [2, 3, 6, 7, 18, 21, 26, 46, 48, 50, 57, 58, 59, 60, 63, 65, 68, 69, 70, 71, 75, 77, 79, 89, 90, 93, 94, 96, 97, 99, 107], "had": 68, "hahn": 108, "half": [58, 59, 60, 63, 64, 65, 96], "hand": 107, "handl": [2, 3, 19], "hansen": 108, "happen": [56, 102, 107], "hardli": 56, "hat": 93, "have": [2, 3, 5, 6, 7, 14, 15, 18, 26, 46, 50, 56, 58, 59, 60, 63, 68, 69, 75, 78, 79, 89, 93, 94, 97, 99, 107], "hdf5": [2, 3, 14, 19, 44], "hdf5_use_static_librari": 7, "hdf5view": 15, "header": 6, "heart": 19, "heidelberg": 108, "height": [67, 99], "help": [5, 16, 19, 105, 107], "henc": [7, 56, 57, 93, 95, 102, 107], "henri": 38, "hepbildikl": 108, "here": [3, 4, 6, 7, 18, 19, 49, 56, 67, 69, 75, 79, 93, 96, 97, 99, 104], "hereaft": 68, "heterogen": 71, "heurist": [57, 93], "hexagon": 81, "hic": [21, 26, 28, 45, 75], "hic_constant_water_act": 24, "hic_water_on_hydrophobic_surfac": 25, "hiccwa_beta0": 24, "hiccwa_beta1": 24, "hiccwa_ka": 24, "hiccwa_kd": 24, "hiccwa_nu": 24, "hiccwa_qmax": 24, "hicwhs_beta0": 25, "hicwhs_beta1": 25, "hicwhs_ka": 25, "hicwhs_kd": 25, "hicwhs_nu": 25, "hicwhs_qmax": 25, "high": [7, 46, 56, 108], "higher": [3, 56, 67, 81], "highli": [2, 6, 19, 24, 25, 56], "hindmarsh": 108, "histori": 15, "hold": [6, 46, 95, 97, 102, 103, 107], "holder": 68, "holdup": 98, "hollow": [99, 102, 103], "homebrew": 14, "homogen": [58, 97, 99, 102, 103], "hope": 68, "horv": 108, "host": [19, 68], "household": 68, "how": [6, 7, 18, 19, 46, 56, 68], "howev": [3, 19, 26, 46, 50, 56, 68, 93, 95, 97, 99, 105, 107], "hpp": 6, "html": [0, 68], "http": [0, 2, 13, 14, 15, 19, 68, 108], "hubbuch": 108, "huber": 108, "huuk": 108, "hydrophob": [21, 24, 26, 28, 45, 75, 77, 108], "hypothet": 68, "i": [0, 1, 2, 3, 4, 5, 6, 7, 14, 15, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 44, 46, 48, 49, 50, 52, 53, 54, 55, 56, 57, 58, 59, 60, 63, 64, 65, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 93, 94, 95, 96, 97, 98, 99, 100, 101, 102, 103, 104, 105, 107, 108], "i_": 104, "ibg": 19, "ibindingmodel": [2, 6], "id": [1, 4, 7, 93, 108], "ida": [2, 55, 57, 58, 60, 63, 107], "idea": 68, "ideal": 81, "identif": 107, "identifi": [6, 44, 52, 56, 68, 75, 94, 107], "idynamicreactionmodel": 2, "iex": [21, 28], "iexternalfunct": 2, "ignor": [3, 26, 42, 57, 58, 59, 60, 63, 64, 65, 67, 93, 99], "ij": [65, 87], "il": 104, "ill": 107, "illustr": 104, "imag": 104, "imagin": 56, "immisc": 104, "immobil": [88, 99], "imodelsystem": 2, "imperm": 99, "implem": 73, "implement": [1, 3, 5, 6, 13, 14, 44, 49, 56, 68, 74, 75, 96, 104, 107], "implementsanalyticjacobian": 6, "impli": 68, "implicit": 2, "implicitli": [6, 67], "import": [3, 6, 14, 18, 56, 68, 99, 107], "impos": 68, "imprecis": 107, "improv": [5, 56, 75, 97], "inabl": 68, "inaccur": 68, "inc": 68, "incident": 68, "includ": [2, 3, 6, 7, 13, 14, 15, 18, 19, 32, 48, 53, 55, 57, 58, 60, 68, 82, 93, 99], "inclus": 68, "incom": 93, "incompat": 68, "incompress": [3, 18, 99, 102, 103], "inconsist": 99, "incorpor": [1, 56, 67, 68], "increas": [3, 56, 60, 93, 107], "indemnif": 68, "independ": [6, 54, 58, 60, 63, 64, 65, 68, 69, 79, 107], "index": [26, 40, 46, 50, 52, 54, 57, 58, 60, 63, 65, 70, 75, 89, 93, 94, 96, 99, 102, 107], "indic": [3, 26, 50, 55, 56, 57, 58, 65, 68, 75, 93, 94, 104, 107], "individu": [1, 7, 58, 60, 63, 68, 93, 104], "induc": 108, "industri": [68, 108], "inert": [70, 77], "inf": 7, "infer": [58, 59, 60, 63, 64, 65, 93, 97, 99], "infin": 71, "infinit": [24, 25], "inflow": 93, "influenc": [57, 58, 60, 63, 77], "inform": [1, 3, 6, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 33, 34, 35, 36, 37, 38, 39, 40, 41, 46, 58, 59, 60, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 92, 94, 97, 99, 101, 102, 103, 104, 105], "infrastructur": 2, "infring": 68, "infti": [56, 99], "inhibit": [52, 96], "inhomogen": [58, 60, 63, 65, 97], "init_c": [3, 58, 59, 60, 63, 64, 65], "init_cp": [58, 60, 63], "init_damp": 42, "init_q": [3, 58, 59, 60, 63, 64], "init_st": [58, 59, 60, 63, 64, 65], "init_state_i": 57, "init_state_sensy_xxx": 57, "init_state_sensydot_xxx": 57, "init_state_ydot": 57, "init_step_s": [3, 55, 107], "init_volum": 59, "initi": [2, 7, 44, 45, 55, 57, 58, 59, 60, 63, 64, 65, 68, 93, 95, 99, 102, 103], "inject": 97, "inlet": [2, 44, 45, 48, 53, 61, 75, 93, 97, 99, 100, 107], "inlet_typ": [3, 62], "inner": [67, 97, 99, 102, 103], "input": [3, 5, 17, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 44, 48, 50, 51, 52, 61, 93, 107], "insert": 107, "insid": [48, 56, 58, 60, 68, 97, 98, 99, 102, 103], "instal": [0, 1, 3, 4, 14, 15, 16, 18, 68], "instanc": [3, 7, 46, 107], "instanti": 18, "instead": [3, 15, 18, 19, 26, 48, 50, 56, 58, 59, 60, 64, 65, 68, 75, 93, 95, 105, 107], "institut": 19, "int": [6, 20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 43, 47, 49, 53, 54, 55, 57, 58, 59, 60, 62, 63, 64, 65, 66, 67, 97, 99], "intact": 68, "integ": [26, 50], "integr": [1, 2, 3, 7, 15, 46, 47, 48, 55, 56, 60, 63, 64, 107], "intel": [1, 13, 14, 19], "intel10_64lp": [1, 13, 14, 15], "intel10_64lp_seq": [1, 13, 14, 15], "intend": [5, 68], "intens": [58, 65], "intent": 68, "interact": [23, 24, 25, 32, 41, 68, 71, 77, 81, 87, 104, 108], "interchang": 68, "interest": [3, 6, 56, 68], "interf": 68, "interfac": [1, 2, 17, 19, 56, 68, 92], "intern": [60, 93, 107], "interplai": [99, 108], "interpol": [2, 56], "interpret": 68, "interprocedur": 1, "interstiti": [2, 3, 18, 46, 48, 49, 60, 63, 64, 67, 93, 97, 99, 102, 103], "interv": 101, "intim": 68, "introduc": [6, 7, 97, 104, 107], "introduct": [5, 16, 44, 56], "invalid": 68, "invers": [81, 108], "invert": 107, "involv": [99, 104, 107], "io": 0, "ion": [21, 26, 28, 45, 69, 75, 77, 81, 86, 90, 108], "ionic": [75, 81, 90], "iqbal": 108, "irregular": 97, "irrevoc": 68, "irv": 108, "is_kinet": [3, 18, 20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 75], "isbn": 108, "isimul": 2, "isimulatablemodel": 2, "isol": 7, "isotherm": [6, 56, 71, 73, 74, 75, 78, 81, 108], "issu": [5, 57, 58, 60, 63, 71], "istotherm": 71, "item": [2, 7, 68], "iter": [55, 57, 58, 60, 63, 93, 107], "its": [2, 3, 56, 68, 71, 81, 93, 97, 99, 104, 107], "itself": [2, 68, 93, 104], "iunitoper": 2, "iv": [46, 48, 58, 59, 60, 62, 63, 64, 67], "j": [2, 6, 19, 20, 52, 53, 58, 60, 65, 69, 70, 72, 73, 74, 75, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 93, 95, 96, 97, 98, 99, 102, 108], "j_": [53, 99], "j_f": [75, 95], "ja02268a002": 108, "jacobian": [1, 6, 7, 58, 59, 60, 64, 65, 71, 75, 93, 95, 107], "jacobianimpl": 6, "jakobsson": 108, "jan": 108, "januari": 108, "johann": 108, "john": 108, "joint": 53, "jona": [104, 108], "journal": 108, "json": [4, 5, 6, 7], "jtbi": 108, "jump": 107, "june": [68, 108], "just": [3, 6, 7, 46, 48, 107], "j\u00e4pel": [73, 108], "j\u00f8rgen": 108, "j\u00fclich": 19, "j\u00fcrgen": 108, "k": [43, 56, 65, 69, 75, 79, 80, 86, 89, 93, 95, 97, 101, 104, 108], "k_": [32, 52, 60, 65, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 90, 94, 95, 96, 97, 99, 102], "k_a": [75, 85, 104], "k_d": [75, 85, 104], "k_f": 71, "ka": 3, "kanji": 108, "kappa": 81, "kappa_": [32, 81], "kappa_f": 81, "karlsson": 108, "katharina": 108, "katti": 108, "kd": 3, "keep": 68, "kei": 68, "keith": 108, "kernel": [15, 68], "kin": [32, 75, 81], "kind": 68, "kinet": [3, 20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 44, 45, 50, 75, 81, 94, 108], "kl": 104, "know": [15, 68], "knowingli": 68, "knowledg": 68, "known": [97, 99], "krylov": [57, 58, 60, 63], "kth": 56, "ku": 108, "l": [7, 53, 75, 91, 94, 95, 97, 98, 99, 102, 103, 104, 108], "l_": 95, "l_i": 53, "l_j": 95, "label": 104, "lack": [57, 58, 60, 63], "lagrang": 56, "lambda": [72, 75, 86, 88, 90, 104], "lambda_j": [20, 69], "lang": 70, "langmuir": [3, 6, 18, 26, 45, 56, 69, 75, 85, 99, 108], "languag": [2, 68], "lapack": [1, 58, 65], "larg": [1, 15, 56, 99, 104, 107, 108], "larger": [1, 57, 58, 60, 63, 68, 99], "last": [3, 40, 48, 53, 57, 58, 107], "last_state_i": 48, "last_state_sensy_xxx": 48, "last_state_sensydot_xxx": 48, "last_state_ydot": 48, "later": [3, 58, 60, 68, 99, 104], "latest": 15, "latter": [6, 46, 93, 99], "lattic": 81, "launch": [4, 7], "law": [44, 45, 49, 50, 60, 68, 94], "lawsuit": 68, "layer": 17, "layout": [44, 46], "ldf": [26, 45, 92], "ldf_liquid_phas": 75, "le": [71, 107], "lead": [15, 99], "lean": 55, "least": [7, 56, 68, 93], "leav": [3, 56, 105], "lee": 108, "left": [2, 54, 57, 58, 59, 60, 63, 64, 65, 67, 69, 70, 71, 72, 73, 74, 75, 77, 78, 79, 81, 82, 84, 85, 86, 88, 89, 90, 91, 94, 95, 97, 98, 99, 101, 102, 103, 104, 107], "leftrightarrow": 75, "legal": 68, "legend": 18, "length": [3, 18, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 46, 48, 49, 50, 51, 52, 54, 55, 57, 58, 59, 60, 62, 63, 64, 65, 66, 67, 75, 81, 94, 99, 102, 103, 104], "lenhoff": 108, "leq": [69, 79, 80, 86, 101], "less": [1, 3, 43, 56, 57, 60, 63, 64, 75], "lesser": 68, "let": [89, 107], "letter": 2, "level": [46, 57], "levmar": 42, "lewek": [2, 19, 108], "lfloor": [60, 63, 64], "lgpl": 68, "liabil": 68, "liabl": 68, "libbla": 13, "libblas3": 13, "libcadet": [2, 4, 6], "libeigen3": 13, "libhdf5": 13, "liblapack": 13, "liblapack3": 13, "librari": [1, 2, 3, 15, 58, 65, 68], "libsuperlu": 13, "license": 68, "licensor": 68, "lier": [19, 108], "ligand": [24, 25, 108], "like": [4, 6, 7, 68], "likewis": 68, "limit": [19, 44, 52, 68, 69, 71, 79, 81, 96], "lin": [70, 72, 89], "lin_coeff": [3, 57, 62], "lin_ka": 27, "lin_kd": 27, "line": [1, 2, 6, 68], "linear": [2, 6, 21, 23, 26, 31, 32, 34, 35, 40, 45, 46, 54, 56, 57, 58, 60, 62, 63, 65, 70, 71, 80, 83, 84, 87, 92, 107, 108], "linear_interp_data": [44, 45], "linear_solution_mod": 57, "linear_solver_bulk": [58, 65], "linearbufferalloc": 6, "linearli": [58, 60, 75, 95, 107], "link": [1, 7, 68, 108], "linker": 1, "linkinghub": 108, "linspac": 3, "linux": [1, 2, 17, 19], "liquid": [19, 20, 23, 26, 37, 39, 40, 41, 45, 51, 56, 58, 59, 60, 63, 69, 75, 77, 80, 83, 86, 87, 90, 91, 95, 96, 98, 99, 104, 108], "liquid_salt_colloidal_affin": 60, "liquid_salt_exponenti": 60, "liquid_salt_pow": 60, "list": [3, 7, 18, 19, 26, 46, 50, 57, 65, 68, 93], "literatur": 7, "litig": 68, "lk": 104, "ll": [6, 99, 102, 104], "llc": 104, "ln": 81, "load": [1, 3, 9, 15, 31, 34, 35, 46, 108], "lobatto": 56, "local": [0, 55, 56, 68, 107], "locat": [1, 3, 15], "log": [1, 56], "logic": 7, "long": [3, 58, 60, 68, 81, 93, 108], "longer": 75, "look": [3, 6], "loss": [15, 68], "lot": [6, 56], "low": [3, 7, 56, 76, 107], "lower": [43, 56], "lowercas": [3, 46], "lrm": [6, 49, 56, 64, 67, 100, 104], "lrmp": [49, 56, 63, 67, 100, 103], "lu": [58, 65], "lump": [44, 45, 61, 67, 100], "lumped_rate_model_with_por": [45, 61], "lumped_rate_model_without_por": [45, 61], "lumpedratemodelwithpor": 7, "lvert": 89, "lwe": 15, "m": [1, 3, 4, 17, 18, 32, 48, 58, 59, 60, 62, 63, 64, 65, 67, 69, 75, 79, 80, 83, 84, 86, 93, 95, 107, 108], "m_": [20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 46, 53, 58, 91, 97, 98, 99, 102], "m_i": [86, 89, 103], "m_j": [86, 99], "ma": 108, "mac": [14, 19], "machin": 68, "maco": [1, 2], "macro": 6, "made": [67, 68, 107], "magnet": 104, "magnitud": [7, 99, 107], "mai": [2, 5, 26, 44, 50, 56, 60, 63, 64, 68, 75, 90, 93, 94, 95, 97, 98, 99, 107, 108], "mail": 68, "main": [6, 75, 99, 102, 103, 104], "mainli": 75, "maintain": [2, 5, 19, 68], "mainten": [2, 5], "major": [3, 7, 20, 30, 31, 32, 36, 37, 40, 46, 47, 48, 51, 52, 57, 58, 59, 60, 63, 64, 65, 68, 93], "make": [3, 6, 7, 13, 14, 56, 68, 98], "mal_exponents_bulk_bwd": 51, "mal_exponents_bulk_fwd": 51, "mal_exponents_liquid_bwd": 51, "mal_exponents_liquid_bwd_modsolid": 51, "mal_exponents_liquid_fwd": 51, "mal_exponents_liquid_fwd_modsolid": 51, "mal_exponents_solid_bwd": 51, "mal_exponents_solid_bwd_modliquid": 51, "mal_exponents_solid_fwd": 51, "mal_exponents_solid_fwd_modliquid": 51, "mal_kbwd_bulk": 51, "mal_kbwd_liquid": 51, "mal_kbwd_solid": 51, "mal_kfwd_bulk": 51, "mal_kfwd_liquid": 51, "mal_kfwd_solid": 51, "mal_stoichiometry_bulk": 51, "mal_stoichiometry_liquid": 51, "mal_stoichiometry_solid": 51, "mamba": [17, 19], "manag": [1, 6, 7, 14], "mandatori": [46, 57], "mani": [2, 6, 26, 46, 69, 79, 97, 101, 107], "manner": 68, "manual": [4, 44, 105, 107], "manufactur": 68, "map": [3, 57, 58, 60, 107], "mapsto": 2, "march": [68, 108], "mark": 68, "mask": 68, "mass": [26, 44, 45, 50, 72, 75, 88, 93, 94, 99, 101, 102, 103, 104, 105, 107, 108], "mass_action_law": [51, 94], "master": [0, 6], "match": [6, 71], "materi": 68, "math": 15, "mathbb": [2, 38, 40, 43, 49, 52, 54, 57, 58, 59, 60, 62, 63, 64, 65, 67, 75, 94, 95, 97, 99, 101, 102, 103, 107], "mathbf": [2, 96], "mathcal": [2, 7, 70, 107], "mathemat": [19, 56, 81, 108], "mathrm": [43, 47, 48, 52, 55, 57, 58, 59, 60, 62, 63, 64, 65, 67, 69, 70, 72, 73, 74, 75, 76, 77, 78, 79, 82, 85, 86, 87, 88, 90, 94, 95, 96, 98, 99, 102, 103, 107], "matlab": 2, "matplotlib": 3, "matric": [50, 93, 95], "matrix": [3, 6, 26, 46, 48, 51, 52, 53, 57, 58, 59, 60, 64, 65, 92, 93, 95, 96, 104, 107], "matter": 3, "matthia": 108, "max": [52, 70, 73, 74, 77, 78, 79, 82, 85, 89, 95, 96, 99], "max_convtest_fail": [55, 107], "max_errtest_fail": [55, 107], "max_krylov": [3, 57, 58, 60, 63], "max_newton_it": [55, 107], "max_newton_iter_sen": [55, 107], "max_restart": [3, 57, 58, 60, 63], "max_step": [3, 55, 107], "max_step_s": [55, 107], "maximum": [21, 24, 25, 28, 29, 30, 31, 33, 34, 35, 36, 46, 55, 56, 57, 58, 60, 63, 75, 93, 107], "mayb": 6, "mcal_antilangmuir": 29, "mcal_ka": 29, "mcal_kd": 29, "mcal_qmax": 29, "mcbl_ka": 30, "mcbl_kd": 30, "mcbl_qmax": 30, "mcblldf_keq": 31, "mcblldf_kkin": 31, "mcblldf_qmax": 31, "mcl_ka": [3, 33], "mcl_kd": [3, 33], "mcl_qmax": [3, 33], "mclldf_keq": 34, "mclldf_kkin": 34, "mclldf_qmax": 34, "mclldfc_keq": 35, "mclldfc_kkin": 35, "mclldfc_qmax": 35, "mcsgp": 93, "mcspr_k12": 36, "mcspr_k21": 36, "mcspr_ka": 36, "mcspr_kd": 36, "mcspr_qmax": 36, "mct": [6, 44, 45, 61, 100], "mean": [46, 68, 93, 102, 107], "meaning": 7, "measur": 68, "mechan": [56, 81, 94, 104], "mechanist": [6, 108], "media": 108, "medium": [58, 59, 60, 62, 63, 64, 65, 66, 68], "meet": [2, 68], "mei": 108, "meland": 108, "memori": [6, 19, 46, 57, 58, 60, 63, 65, 107], "menten": [44, 45, 50, 94], "mention": [3, 7], "menu": [7, 68], "merchant": 68, "mere": 68, "merg": [6, 68, 105], "messag": 15, "met": 68, "meta": [44, 46, 107], "metapress": 108, "method": [2, 3, 6, 7, 18, 44, 45, 54, 55, 58, 61, 65, 67, 68, 93, 107], "micha": [44, 45, 50, 94], "michaelis_menten": 52, "microsoft": 15, "might": [4, 56, 68, 96, 107], "mimick": 6, "min": [3, 89], "min_damp": 42, "minceva": 108, "minim": [42, 107], "minor": 47, "minut": 15, "mirjana": 108, "misrepresent": 68, "miss": [6, 69, 86, 90], "misspel": 3, "mix": 98, "mixtur": 104, "miyab": 108, "mkl": [13, 14, 15], "mklroot": [13, 14, 15], "mm": [18, 32, 52, 96], "mm_ki": 52, "mm_kmm": 52, "mm_stoichiometry_bulk": 52, "mm_vmax": 52, "mobil": [3, 18, 26, 45, 46, 48, 53, 58, 59, 60, 63, 64, 65, 67, 75, 81, 99], "mobile_phase_modul": 28, "mod": [23, 70], "mode": [1, 7, 20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 55, 57, 58, 59, 60, 63, 64, 65, 68, 75, 107, 108], "model": [1, 2, 4, 5, 16, 17, 19, 20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 44, 45, 51, 52, 55, 61, 68, 69, 70, 71, 72, 73, 74, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 93, 95, 101, 105, 107, 108], "modelbuild": 6, "modelbuilderimpl": 6, "modelparticlelrmp": 102, "modelsystem": 2, "modif": 68, "modifi": [2, 6, 17, 21, 23, 40, 51, 55, 57, 58, 60, 63, 68, 70, 72, 74, 75, 77, 95, 97], "modsim": [13, 14, 15, 19], "modul": [26, 45, 75, 81, 104], "modular": [2, 19], "mol": [3, 18, 20, 21, 22, 23, 24, 25, 28, 29, 30, 31, 33, 34, 35, 36, 37, 39, 40, 41, 48, 58, 59, 60, 62, 63, 64, 65], "molass": 108, "molecul": [24, 25, 81, 85, 86, 89, 90, 99, 102, 103, 104], "mollerup": 108, "moment": [44, 49, 56], "monoton": [56, 89, 93], "monoval": [20, 23, 37, 39, 40, 41], "more": [3, 6, 15, 18, 19, 26, 48, 56, 60, 63, 64, 68, 69, 70, 71, 72, 73, 74, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 93, 94, 107], "moreov": [3, 18, 56, 68, 100], "morlei": 108, "most": [3, 6, 7, 13, 14, 15, 19, 21, 44, 56, 60, 68, 75, 94, 95, 99, 100, 101, 107], "move": [2, 108], "mp": [20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 33, 34, 35, 36, 37, 38, 39, 40, 41, 46, 48, 58, 60, 63], "mpm_beta": 28, "mpm_gamma": 28, "mpm_ka": 28, "mpm_kd": 28, "mpm_qmax": 28, "mri": 104, "mrmassactionlawexpmatdefault": 95, "msbuild": 15, "mssma_ka": 37, "mssma_kd": 37, "mssma_lambda": 37, "mssma_nu": 37, "mssma_rat": 37, "mssma_refc0": 37, "mssma_refq": 37, "mssma_sigma": 37, "mu_": [52, 96], "much": [3, 56, 75, 99, 102, 103, 107], "multi": [1, 6, 26, 44, 45, 53, 69, 70, 75, 77], "multi_channel_transport": [45, 61], "multi_component_antilangmuir": 29, "multi_component_bilangmuir": 30, "multi_component_bilangmuir_ldf": 31, "multi_component_colloid": 32, "multi_component_langmuir": [3, 33, 75], "multi_component_langmuir_ldf": [34, 75], "multi_component_langmuir_ldf_liquid_phas": [35, 75], "multi_component_spread": 36, "multichannel": [1, 6, 44, 45, 61, 100], "multicompon": [74, 108], "multipl": [6, 15, 18, 44, 45, 48, 56, 57, 71, 73, 74, 75, 93, 100, 102, 105, 107, 108], "multiplex": [58, 59, 60, 63, 64, 65, 67], "multistate_steric_mass_act": 37, "multivers": 0, "must": [1, 3, 6, 18, 32, 56, 60, 67, 68, 69, 79, 93, 107], "my": 7, "myst": 106, "n": [2, 32, 65, 71, 81, 93, 104, 107, 108], "n1": [65, 104], "n_": [2, 48, 56, 69, 70, 71, 72, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 93, 95, 97, 98, 99, 101, 103], "n_c": [2, 104], "n_compon": [3, 18], "n_d": [56, 60, 63, 64], "n_k": 104, "n_thread": 1, "naiv": 74, "name": [3, 4, 6, 7, 18, 21, 26, 42, 46, 50, 53, 54, 57, 67, 68, 107], "nanoparticl": 108, "nativ": [14, 44, 75], "natur": [68, 99], "naumann": 19, "navig": 15, "nbnd": [37, 58, 60, 63], "nbound": [3, 46, 58, 59, 60, 63, 64], "ncbi": 108, "nchannel": 65, "ncol": [3, 48, 56, 58, 60, 63, 64, 65, 67], "ncomp": [3, 20, 21, 23, 24, 25, 26, 28, 29, 30, 31, 33, 34, 35, 36, 37, 38, 39, 40, 41, 46, 48, 51, 52, 58, 59, 60, 62, 63, 64, 65, 66], "nconnect": 57, "ndof": [46, 57, 58, 59, 60, 63, 64, 65], "necessari": [1, 68, 105, 107], "necessarili": 7, "need": [2, 3, 6, 7, 15, 17, 18, 44, 46, 60, 63, 64, 68, 99, 102, 103, 104, 107], "neg": [52, 56, 58, 65, 89, 97, 99], "neglect": [99, 102, 103], "neither": 68, "nelem": [56, 60, 63, 64], "neq": [43, 58, 60, 69, 79, 89], "nest": 3, "net": [94, 95, 99, 104], "network": [3, 18, 19, 57, 68, 92, 98, 99, 101, 105, 107], "neutral": [69, 86, 90], "never": 56, "new": [2, 3, 5, 6, 7, 44, 57, 68, 75, 107], "newmodel": 6, "newmodelmethod": 7, "newslett": 19, "newton": [55, 60, 63, 93, 107], "next": [3, 6, 18, 40, 68, 93, 107], "nih": 108, "nikla": 108, "nilsson": 108, "nk": 104, "nlm": 108, "node": [48, 53, 56, 58, 60, 93, 105], "non": [1, 19, 44, 45, 56, 60, 68, 72, 73, 74, 81, 89, 104, 107], "noncommerci": 68, "nondimension": 75, "none": [55, 60, 67], "nonetheless": 56, "nonlinear": [44, 45, 55, 57, 58, 60, 63, 64, 65, 75, 93, 95, 107, 108], "nor": 68, "norm": 56, "normal": [57, 68, 75], "notat": [3, 5, 44, 104, 107], "note": [1, 3, 6, 7, 13, 14, 15, 18, 21, 26, 44, 45, 46, 48, 50, 54, 58, 60, 63, 64, 69, 75, 79, 89, 93, 94, 95, 97, 98, 99, 100, 101, 103, 104, 107], "noth": [68, 99], "notic": 68, "notifi": 68, "notwithstand": 68, "novemb": 108, "now": [3, 6, 17, 18], "np": 3, "npar": [3, 48, 56, 58, 60], "npartyp": [46, 58, 59, 60, 63], "nport": 48, "nrad": [48, 58, 97], "nreact": [46, 51, 52], "nsec": [3, 46, 55, 58, 59, 60, 63, 64, 65, 67], "nsen": 54, "nstate": [20, 30, 31, 46], "nswitch": [3, 57], "nthread": [3, 55], "ntotalbnd": [20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 51, 58, 59, 60, 63, 64], "ntotalbound": 46, "ntotalcomp": 46, "nu": [23, 39, 41, 72, 90, 96], "nu_": [20, 69, 72, 86, 89], "nu_i": [72, 73, 74, 75, 88, 90], "nu_j": [72, 75, 88, 90, 96], "null": 14, "number": [1, 3, 13, 14, 15, 18, 23, 24, 25, 32, 37, 39, 40, 41, 46, 54, 55, 56, 57, 58, 59, 60, 62, 63, 64, 65, 66, 67, 68, 69, 71, 75, 79, 81, 86, 88, 90, 93, 99, 107], "numer": [6, 45, 56, 61, 107, 108], "numpi": 3, "nunit": [3, 57], "o": [1, 14, 19], "object": [2, 3, 17, 18, 68, 108], "oblig": 68, "obtain": [26, 50, 75, 99, 103], "occasion": 68, "occur": [56, 68, 107], "occurr": [6, 75], "octob": 108, "oder": 2, "off": 56, "offer": [56, 60, 63, 64, 68, 107], "offici": 68, "often": [56, 76, 90, 98], "oftentim": 56, "oh": 108, "old": [6, 44], "omit": [47, 93], "onc": [15, 55, 93], "one": [1, 3, 6, 7, 15, 18, 20, 21, 26, 46, 48, 50, 55, 56, 58, 60, 63, 68, 75, 77, 93, 94, 99, 102, 103, 104, 107], "oneapi": 1, "ones": [3, 6, 7], "ongo": 7, "onli": [1, 3, 6, 7, 15, 26, 42, 46, 48, 49, 50, 54, 57, 58, 60, 63, 64, 67, 68, 74, 75, 89, 93, 94, 95, 97, 99, 101, 102, 103, 104, 105, 107], "onlin": 15, "open": [0, 5, 13, 15, 17], "openmp": 1, "openurl": 108, "oper": [1, 3, 5, 7, 18, 19, 26, 44, 45, 48, 49, 50, 53, 54, 56, 58, 59, 60, 62, 63, 64, 65, 66, 67, 68, 75, 92, 94, 97, 98, 99, 101, 105, 107, 108], "operatornam": [99, 102, 103], "opt": [13, 14], "optim": [1, 6, 60, 75, 95, 108], "option": [3, 5, 6, 7, 13, 14, 17, 19, 20, 23, 29, 37, 39, 40, 41, 49, 51, 53, 54, 55, 57, 58, 59, 60, 63, 64, 65, 67, 68, 81], "order": [2, 3, 7, 20, 24, 25, 26, 30, 31, 32, 36, 37, 40, 43, 44, 45, 50, 58, 59, 60, 63, 64, 65, 67, 68, 71, 75, 93, 94, 95, 99, 101, 105, 107], "org": [68, 108], "organ": 68, "orient": [2, 17, 18, 75, 85, 86], "origin": [3, 55, 60, 68, 69, 71, 74, 75, 79, 81, 94, 104, 107], "orthogon": [57, 58, 60, 63], "oscil": 56, "oscillatori": 56, "osx": 17, "other": [0, 3, 6, 7, 46, 49, 56, 57, 67, 68, 75, 78, 81, 89, 90, 93, 95, 96, 99, 104, 105, 107], "otherwis": [7, 20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 46, 60, 63, 64, 68, 93, 107], "our": [1, 5, 7, 19, 56, 68], "out": [2, 15, 47, 54, 57, 58, 59, 60, 63, 64, 65, 67, 68, 91, 93, 98, 105], "outdat": 17, "outer": [58, 60, 67, 97, 99, 102, 103], "outflow": 99, "outgo": [3, 18, 93], "outlet": [2, 7, 18, 44, 45, 48, 53, 61, 93, 97, 99, 100, 101], "output": [0, 3, 7, 15, 44, 46, 53, 68, 105], "outsid": [68, 104], "ov": 96, "over": [1, 3, 6, 26, 44, 50, 93, 107], "overhead": 2, "overlap": 6, "overridden": 93, "overrul": 93, "overview": [2, 107], "own": [2, 6, 7, 68, 93, 97, 99], "p": [6, 15, 26, 43, 50, 53, 55, 57, 58, 60, 63, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 81, 82, 85, 86, 87, 88, 90, 95, 97, 99, 102, 103, 107, 108], "p1": 60, "p2": 60, "p3": 60, "p4": 60, "p5": 60, "p_": [3, 26, 49, 50, 53, 60, 95, 97, 99, 102], "p_1": 107, "p_2": 107, "p_c": 99, "p_i": [3, 107], "p_j": [2, 78, 95, 99, 102], "p_n": 107, "pack": 97, "packag": [1, 3, 13, 14, 15, 68], "page": [0, 108], "pair": 104, "paper": [6, 7, 68, 74], "par_boundary_ord": [58, 60], "par_core_radiu": 54, "par_coreradiu": [58, 60], "par_diffus": [3, 46, 58, 60], "par_diffusion_multiplex": [58, 60], "par_disc_typ": [3, 58, 60], "par_disc_vector": [58, 60], "par_geom": [58, 60, 63], "par_nelem": [56, 60], "par_polydeg": [56, 60], "par_poros": [3, 58, 60, 63], "par_radiu": [3, 54, 58, 60, 63], "par_surdiffus": 46, "par_surfdiffus": [3, 58, 60], "par_surfdiffusion_dep": 60, "par_surfdiffusion_expargmult": 60, "par_surfdiffusion_expfactor": 60, "par_surfdiffusion_logkeqconst": 60, "par_surfdiffusion_logkeqexp": 60, "par_surfdiffusion_logkeqfactor": 60, "par_surfdiffusion_multiplex": [58, 60], "par_surfdiffusion_powexp": 60, "par_surfdiffusion_powfactor": 60, "par_type_volfrac": [58, 59, 60, 63], "par_type_volfrac_multiplex": 58, "paragraph": [68, 69, 72, 86, 88, 90], "parallel": [1, 3, 13, 14, 15, 19, 57, 93, 104], "param": 48, "param_valu": [46, 54], "param_xxx": [44, 45, 107], "paramet": [2, 3, 6, 17, 18, 19, 21, 24, 25, 26, 28, 44, 45, 50, 55, 57, 58, 60, 63, 64, 65, 67, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 94, 95, 97, 98, 99, 101, 102, 103, 104, 105, 108], "parameter": 89, "paramt": [44, 45], "paramtyp": 6, "parpolydeg": 60, "parser": 106, "part": [6, 7, 17, 18, 46, 47, 55, 56, 68, 88, 108], "parti": 68, "partial": [2, 6, 19, 53, 72, 75, 97, 98, 99, 102, 103, 104, 107], "particl": [3, 44, 45, 46, 48, 51, 53, 54, 56, 58, 59, 60, 63, 64, 75, 91, 95, 98, 100, 102, 103], "particle_coordinates_xxx": 48, "particle_poros": 18, "particle_radiu": 18, "particular": 68, "particularli": 107, "partyp": 99, "pass": [18, 26, 46, 50, 68, 95, 107], "password": 68, "past": 107, "patch": 47, "patent": 68, "path": [1, 3], "path_to_setup_fil": 4, "pathwai": 104, "pattern": [68, 75, 94], "paul": 108, "payment": 68, "pc": 15, "pdae": [2, 19], "pde": [2, 3], "peer": 68, "per": [15, 24, 25, 26, 47, 56, 75, 107], "perform": [2, 3, 15, 18, 56, 60, 63, 64, 68, 75, 95, 107], "perman": 68, "permiss": 68, "permit": 68, "perpetu": 68, "person": 68, "pertin": 68, "pesticid": 108, "pet": 104, "peter": 108, "petr": 108, "ph": [2, 32, 72, 81], "phantom": [81, 86], "phase": [3, 18, 20, 23, 26, 32, 37, 39, 40, 41, 45, 46, 48, 51, 53, 54, 58, 59, 60, 63, 64, 65, 67, 69, 71, 75, 80, 81, 83, 86, 87, 90, 91, 95, 96, 98, 99, 102, 103, 104, 107, 108], "phd": 2, "phenomena": 56, "phi": [32, 81], "philosophi": 68, "physic": [68, 75, 94, 101, 105], "pi": 97, "piec": [3, 18, 56, 57, 68, 101], "piecewis": [2, 3, 18, 57, 97, 101, 107], "piecewise_cubic_poli": [3, 44, 45, 62], "pii": 108, "pip": [0, 17], "pipelin": 7, "place": [26, 50, 68, 75, 107], "placehold": [75, 94], "placement": 99, "plai": 56, "plain": 18, "plan": [5, 6, 7, 67], "plant": 108, "platform": [1, 2, 15], "pleas": [5, 6, 7, 18, 19, 46, 67, 68, 104], "plot": 5, "plt": 3, "plu": 68, "plug": [93, 103], "pmatrix": [75, 95], "point": [1, 2, 3, 6, 48, 53, 56, 57, 60, 63, 64, 67, 99, 102, 103, 107], "pointer": 68, "polydeg": [56, 60, 63, 64], "polynomi": [2, 3, 18, 26, 50, 56, 57, 60, 63, 64, 75, 93, 94, 101, 107], "pore": [18, 44, 45, 58, 60, 61, 67, 71, 99, 100, 108], "pore_access": [58, 60, 63], "pore_accessibility_multiplex": [58, 60, 63], "pore_diffus": 18, "poros": [2, 3, 58, 60, 63, 64, 97, 99, 103, 104, 107], "porou": 99, "port": [2, 3, 48, 53, 57, 93, 97, 101], "portal": 108, "portion": 68, "pose": 107, "posit": [26, 50, 56, 57, 58, 65, 67, 93, 97, 99, 104], "positron": 104, "possess": [68, 93, 101], "possibl": [1, 17, 57, 58, 65, 68, 75, 93, 94, 107], "possibli": [6, 26, 50, 75, 99, 102, 107], "post": [2, 6, 105], "postprocess": [47, 107], "potenti": [75, 81, 85, 86, 95, 99], "power": [32, 49, 60, 68, 75, 94, 95], "power_law": 49, "powershel": 15, "pp": [32, 81], "pr": 19, "practic": [3, 5, 7, 68], "pre": [2, 16, 32], "preambl": 68, "preced": [26, 50], "precis": [7, 68], "predecessor": 68, "predomin": 93, "prefer": [1, 7, 68, 107], "prefix": [2, 67], "preliminari": 5, "prepar": [47, 107, 108], "prepareadvector": 6, "prepend": [75, 94], "presenc": 99, "present": [46, 48, 57, 60, 63, 64, 67, 68, 74, 75, 85, 86, 93, 95, 97], "preserv": 68, "press": 108, "prevent": [23, 41, 68, 75], "previou": [6, 46, 68, 93], "previous": [7, 18, 93], "price": 68, "primarili": [68, 81], "print": [1, 3, 15], "prior": 68, "privat": 68, "privileg": 15, "probabl": [6, 14], "problem": [1, 3, 56, 68, 93, 107], "procedur": [6, 68, 107], "process": [2, 3, 15, 71, 75, 77, 93, 104, 105, 107, 108], "process_simul": 18, "processmodel": 18, "procur": 68, "prod_": 95, "prod_i": 96, "produc": [1, 53, 68, 98, 104], "product": [68, 95], "product_outlet": 18, "profil": [2, 3, 18, 26, 50, 56, 57, 62, 75, 94, 97, 101, 107, 108], "program": [15, 68], "programm": 68, "prohibit": 68, "project": [4, 19], "projecttarget": 4, "promin": [68, 75, 100], "promot": 2, "prompt": 15, "propag": 68, "properli": [6, 75], "properti": [56, 68, 104, 108], "proport": [75, 95], "proprietari": 68, "prot": 72, "protect": 68, "protein": [20, 23, 24, 25, 32, 39, 41, 81, 88, 108], "protocol": 68, "prove": 68, "proven": 2, "provid": [1, 2, 3, 4, 6, 7, 13, 14, 15, 16, 17, 18, 19, 58, 67, 68, 75, 95, 99, 101, 107], "provis": 68, "provision": 68, "proxi": 68, "pseudo": [3, 18, 81, 93, 100, 101, 105], "pub": 108, "public": [2, 5, 7, 19, 56, 68], "publicli": [2, 68], "publish": 68, "pubm": 108, "pull": [5, 19], "puls": [3, 101], "pump": 19, "pure": [59, 98, 99, 107], "purif": 108, "purpos": [1, 2, 3, 18, 68, 107], "pursuant": 68, "push": 0, "put": 53, "py": 7, "pyplot": 3, "python": [2, 5, 7, 17, 18, 19], "p\u00fcttmann": 19, "q": [2, 3, 18, 57, 69, 71, 72, 75, 80, 83, 84, 86, 88, 90, 93, 103, 108], "q_": [69, 70, 72, 73, 74, 75, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 88, 89, 90, 93, 99, 107], "q_0": [57, 72, 77, 86, 88, 90, 93], "q_1": [57, 93], "q_2": [57, 93], "q_3": [57, 93], "q_i": [70, 72, 73, 74, 75, 76, 77, 78, 82, 83, 87, 88, 90], "q_j": [70, 72, 73, 74, 75, 77, 78, 82, 84, 85, 88, 90], "q_m": 75, "qmax": 3, "qquad": [75, 86, 93, 107], "quad": [69, 72, 81, 86, 89, 93, 99], "quad_coeff": [3, 57, 62], "quadrat": [23, 38, 40, 57, 62, 87, 88], "qualifi": 68, "qualiti": [6, 68], "quantiti": 3, "quasi": [20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 75, 98, 99, 102, 103], "quickli": 107, "quotient": 75, "r": [0, 2, 6, 38, 40, 43, 49, 52, 54, 57, 58, 59, 60, 62, 63, 64, 65, 67, 75, 81, 94, 95, 96, 97, 99, 101, 102, 103, 104, 107, 108], "r_": [58, 60, 81, 95, 97, 99, 102, 103], "r_i": 32, "rad": [58, 97, 99, 102, 103], "radial": [3, 7, 44, 45, 48, 58, 60, 61, 97, 100], "radial_": 67, "radial_compart": 58, "radial_coordin": 48, "radial_disc_typ": 58, "radial_general_rate_model": [45, 61], "radii": [99, 102, 103], "radioact": 104, "radiu": [26, 32, 50, 58, 60, 63, 67, 81, 97, 99, 102, 103], "radu": 108, "raena": 108, "rais": [3, 15], "rang": [20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 49, 51, 52, 53, 54, 55, 57, 58, 59, 60, 62, 63, 64, 65, 66, 67, 81, 97, 99], "rapid": [3, 18, 75, 108], "rassi": 108, "rate": [1, 2, 19, 20, 21, 23, 24, 25, 27, 28, 29, 30, 32, 33, 36, 37, 39, 40, 41, 44, 45, 51, 52, 56, 57, 59, 61, 65, 67, 72, 75, 81, 89, 91, 92, 94, 96, 98, 100, 107], "rather": [3, 56, 60, 63, 64], "ratio": [32, 81, 99, 103, 104], "rdm": 7, "re": 6, "reach": 56, "react": [2, 91, 94, 95, 96, 97, 98, 99, 102, 103, 104], "reactant": 95, "reaction": [2, 6, 9, 44, 45, 46, 51, 52, 54, 58, 59, 60, 63, 64, 65, 91, 92, 95, 96, 98, 99, 104, 107], "reaction_bulk": [58, 59, 60, 63, 65], "reaction_model": [51, 52, 59, 64], "reaction_model_bulk": [58, 60, 63, 65], "reaction_model_particl": [58, 59, 60, 63], "reaction_model_particles_multiplex": [58, 59, 60, 63], "reaction_particl": [50, 58, 59, 60, 63], "reaction_particle_000": 50, "reaction_particle_xxx": [58, 59, 60, 63], "reaction_particle_yyi": 50, "reactor": [18, 19, 44, 45, 61, 100, 103], "read": [6, 7, 26, 46, 50, 68], "readabl": 68, "readi": [6, 68], "readili": 68, "realationship": 2, "realiti": 56, "realiz": [56, 97], "realli": [75, 94], "reason": [3, 17, 68, 99], "rebuild": 6, "receipt": 68, "receiv": [68, 93], "recent": [13, 14, 15, 19, 44], "recipi": 68, "recogn": [46, 68], "recommend": [5, 6, 7, 15, 17, 19, 44, 45, 60, 63, 64, 75], "reconstruct": [3, 44, 45, 56, 58, 60, 63, 64, 65, 67], "record": 2, "recreat": 7, "rectangular": 3, "recycl": 105, "redistribut": 68, "reduc": [3, 6, 56, 74, 107], "ref": [50, 69, 72, 75, 86, 88, 90], "refer": [3, 5, 6, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 33, 34, 35, 36, 37, 38, 39, 40, 41, 46, 56, 58, 59, 60, 62, 63, 64, 65, 66, 67, 68, 69, 72, 86, 88, 90, 92, 93, 104, 107], "refin": [5, 44, 45], "reflect": [13, 14, 15, 56], "refrain": 68, "regard": [7, 68], "regardless": [68, 93], "regener": 68, "regist": 6, "registerexamplemodel": 6, "registerlinearmodel": 6, "registernewmodel": 6, "registeryourmodelnamemodel": 6, "regular": [58, 65], "reinstat": 68, "rel": [7, 55, 58, 60, 107], "relat": [3, 18, 60, 75, 92], "relationship": [2, 68, 107], "releas": [0, 1, 7, 15, 19, 68], "release_with_debug_info": 1, "release_with_test": 1, "releaseci": 7, "relev": [6, 46, 56, 68, 75, 104, 107], "reli": 68, "relicens": 68, "reltol": [3, 55, 107], "reltol_sen": 55, "remain": [3, 68, 70, 99], "remedi": 107, "rememb": 104, "remov": [48, 68, 98, 103, 104, 108], "renam": 6, "render": 68, "repair": 68, "reparameter": [75, 95], "replac": [26, 50, 67, 75, 81, 99], "report": [19, 56], "repositori": [0, 19], "repres": [2, 46, 68, 72, 81, 93, 97, 99, 101, 104], "represent": 75, "reproduc": [6, 7], "request": [5, 19, 46, 107], "requir": [0, 1, 2, 3, 6, 7, 15, 18, 19, 21, 42, 46, 49, 56, 58, 60, 63, 64, 65, 68, 69, 70, 71, 72, 73, 74, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 93, 94, 105, 107], "requiredaddir": 6, "rerun": 7, "research": [5, 6, 7], "reset": 107, "resid": [9, 108], "residu": [6, 107], "residualimpl": 6, "residualtyp": 6, "resin": [23, 32, 37, 39, 40, 41, 81, 82], "resist": [99, 102], "resolut": [6, 7, 56, 107], "resolv": [56, 68], "reson": 104, "respect": [2, 3, 6, 20, 24, 25, 26, 50, 57, 67, 68, 69, 72, 75, 77, 86, 88, 90, 93, 94, 95, 99, 102, 103, 104, 107], "respons": 68, "rest": 105, "restart": [3, 57, 58, 60, 63, 107], "restrict": [3, 18, 68, 93], "restrunn": 1, "result": [5, 6, 19, 46, 56, 68, 75, 97, 98, 99, 104, 107], "resulta": 7, "retain": 68, "retriev": 108, "return": [3, 6, 7, 15, 44, 45, 48, 68, 97, 99], "returncod": 3, "reus": 7, "revers": [97, 99, 108], "review": [68, 108], "revis": 68, "rfloor": [60, 63, 64], "rgen": 108, "rho": [97, 99, 102, 103, 104], "rho_": 97, "rho_k": 97, "right": [2, 60, 68, 69, 70, 71, 72, 73, 74, 75, 77, 78, 79, 81, 82, 84, 85, 86, 88, 89, 90, 91, 94, 95, 97, 98, 99, 101, 102, 103, 104, 107], "rightarrow": [56, 71, 75, 97, 99, 104], "rigor": [6, 7], "risk": 68, "robust": 2, "role": 56, "rom": 68, "ronald": 108, "root": [3, 6, 7, 14, 46], "row": [3, 37, 46, 48, 51, 57, 93, 104], "royalti": 68, "rpath": 1, "rse": 5, "rule": [54, 68], "run": [0, 1, 2, 4, 5, 6, 13, 15, 60, 68, 98, 107], "runner": 7, "runtim": 1, "rvert": 89, "rwth": 2, "s0009250915006168": 108, "s0021": 108, "s0021967301964374": 108, "s0021967301994579": 108, "s0021967304014554": 108, "s0021967309010103": 108, "s0021967316310263": 108, "s0021967319308659": 108, "s0021967322005830": 108, "s0022519313004530": 108, "s0168": 108, "s1": 108, "s10337": 108, "s_": [53, 91, 93, 95, 97, 98, 99, 102, 103], "s_j": [2, 91, 95, 98, 99, 102], "safest": 68, "safeti": [57, 58, 60, 63], "sai": [3, 15, 68], "sai_ka1": 39, "sai_ka2": 39, "sai_kd": 39, "sai_lambda": 39, "sai_nu": 39, "sai_refc0": 39, "sai_refq": 39, "sai_sigma": 39, "sake": [26, 49, 50, 68, 104], "sale": 68, "salt": [20, 23, 24, 25, 32, 37, 39, 40, 41, 60, 69, 72, 73, 74, 75, 77, 86, 90, 108], "same": [6, 7, 14, 18, 21, 56, 57, 58, 59, 60, 63, 64, 67, 68, 69, 75, 79, 82, 85, 86, 89, 93, 94, 99, 102, 103, 104, 105, 107], "sampl": 3, "samuel": [2, 108], "saniti": 3, "saska": [26, 45, 75, 108], "saska_h": 38, "saska_k": 38, "satisfi": [68, 107], "satur": [52, 82, 96, 99], "save": 3, "scalar": [6, 46, 107], "scale": [75, 108], "scenario": 56, "scheme": [3, 43, 53, 56, 58, 60, 104], "schmidt": [57, 58, 60, 63], "schneider": 108, "schnittert": [19, 108], "school": 68, "schur": [57, 58, 60, 63], "schur_safeti": [3, 57, 58, 60, 63], "scienc": [19, 104, 108], "sciencedirect": 108, "scientif": [7, 19, 107], "scope": [6, 49, 68], "scratch": 16, "screen": [32, 81], "script": [6, 7, 15, 68], "seal": 99, "search": 1, "sebastian": 108, "sec": [55, 93, 99], "sec_000": 3, "sec_xxx": [45, 61], "secidx": 6, "second": [3, 18, 36, 58, 59, 60, 63, 64, 65, 72, 81, 85, 89, 104, 107], "secondarili": 68, "sect": 101, "section": [2, 5, 6, 7, 16, 17, 18, 26, 44, 45, 50, 54, 56, 57, 58, 59, 60, 63, 64, 65, 67, 68, 69, 70, 71, 72, 75, 77, 78, 79, 85, 86, 88, 89, 90, 92, 93, 94, 97, 99, 102, 103, 104, 105], "section_continu": [3, 55, 107], "section_tim": [3, 55, 57, 107], "see": [3, 6, 7, 15, 19, 26, 30, 31, 42, 44, 46, 50, 55, 57, 58, 59, 60, 63, 64, 65, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 92, 93, 94, 95, 97, 98, 99, 101, 102, 103, 104, 105, 107], "seed": 107, "seen": [99, 102, 103], "select": [2, 3, 7, 15, 20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 56, 57, 58, 65, 70, 93, 108], "self": [26, 45, 56, 75], "self_associ": 39, "sell": 68, "semiconductor": 68, "send": 97, "sens": [60, 63, 64, 75], "sens_abstol": 54, "sens_boundphas": [54, 57], "sens_bulk": 48, "sens_comp": [54, 57], "sens_factor": [54, 107], "sens_flux": 48, "sens_inlet": 48, "sens_inlet_comp_xxx": 48, "sens_inlet_port_xxx": 48, "sens_inlet_port_xxx_comp_yyi": 48, "sens_method": 54, "sens_nam": 54, "sens_outlet": 48, "sens_outlet_comp_xxx": 48, "sens_outlet_port_xxx": 48, "sens_outlet_port_xxx_comp_yyi": 48, "sens_particl": 48, "sens_particle_partype_xxx": 48, "sens_partyp": [54, 57, 58, 65], "sens_react": [54, 57, 58], "sens_sect": [54, 57, 58, 60, 63], "sens_solid": 48, "sens_solid_partype_xxx": 48, "sens_unit": [54, 57], "sens_volum": 48, "sensdot_bulk": 48, "sensdot_flux": 48, "sensdot_inlet": 48, "sensdot_inlet_comp_xxx": 48, "sensdot_inlet_port_xxx": 48, "sensdot_inlet_port_xxx_comp_yyi": 48, "sensdot_outlet": 48, "sensdot_outlet_comp_xxx": 48, "sensdot_outlet_port_xxx": 48, "sensdot_outlet_port_xxx_comp_yyi": 48, "sensdot_particl": 48, "sensdot_particle_partype_xxx": 48, "sensdot_solid": 48, "sensdot_solid_partype_xxx": 48, "sensdot_volum": 48, "sensit": [2, 6, 19, 26, 44, 45, 50, 53, 55, 57, 58, 60, 63, 65, 108], "senstiv": 57, "separ": [2, 7, 18, 20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 53, 68, 75, 93, 104, 108], "separet": 7, "septemb": 108, "sequenc": [19, 107], "sequenti": [13, 14, 57, 93], "serban": 108, "seri": 16, "serv": [2, 3, 5, 18, 68, 75, 93, 101, 105], "server": 68, "servic": 68, "set": [1, 4, 5, 6, 15, 17, 20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 44, 56, 57, 58, 59, 60, 63, 65, 70, 75, 76, 93, 94, 98, 99, 103, 104, 107], "setup": [7, 93], "seven": 93, "seventh": 93, "sever": [3, 18, 107], "sha1": 47, "shall": [7, 68], "shape": [6, 78, 90, 104], "share": [19, 58, 59, 60, 63, 68], "sharp": [56, 78], "sharpen": 56, "sheet": 18, "shell": [17, 99, 102, 103], "shield": [23, 41, 89, 90], "shift": 101, "shirazi": 108, "short": [68, 75, 93, 100], "shortcom": 56, "should": [1, 3, 6, 7, 26, 49, 50, 55, 56, 58, 60, 63, 68, 99, 107], "show": [3, 56, 68], "shown": [75, 107], "shumak": 108, "side": [6, 99], "sigma": [23, 39, 41, 90], "sigma_": [20, 69, 86, 89], "sigma_j": [72, 75, 88, 90], "sign": [68, 75, 97, 99], "signal": [3, 18, 101], "signific": [68, 107], "silica": 108, "sim": [3, 101], "similar": [6, 68, 69, 88], "similarli": 56, "simpl": [3, 18, 75, 93, 98, 107], "simpler": 107, "simpli": [3, 26], "simplic": 97, "simplifi": [3, 26, 45, 75], "simplified_multistate_steric_mass_act": 40, "simul": [1, 2, 4, 5, 6, 15, 44, 46, 47, 55, 56, 57, 60, 93, 97, 98, 99, 101, 102, 108], "simulation_result": 18, "simulationresult": 18, "simultan": 68, "sinc": [3, 5, 18, 26, 46, 50, 81, 85, 86, 97, 99, 101, 104, 105, 107], "singh": 108, "singl": [7, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 48, 50, 53, 56, 68, 75, 93, 107], "single_as_multi_port": [48, 53], "singular": 81, "sink": [3, 18, 93, 100, 105], "site": [20, 23, 37, 39, 40, 41, 69, 75, 79, 82, 85, 86, 88, 90], "sitemap": 106, "situat": [95, 107], "size": [1, 6, 44, 45, 55, 57, 58, 60, 63, 81, 95, 102, 107], "slab": [58, 60, 63, 99], "slice": 107, "slightli": [56, 74], "slow": [58, 65], "slower": [58, 59, 60, 63, 64, 65], "slowest": 46, "sma": [69, 72, 86, 89], "sma_ka": 41, "sma_kd": 41, "sma_lambda": 41, "sma_nu": 41, "sma_refc0": 41, "sma_refq": 41, "sma_sigma": 41, "small": [43, 56, 71, 93, 99, 107], "smaller": [1, 56, 99, 102, 103, 107], "smb": [93, 105], "smith": 108, "smooth": [44, 45, 60, 63, 64, 101, 107], "smssma_ka": 40, "smssma_kd": 40, "smssma_ksw": 40, "smssma_ksw_lin": 40, "smssma_ksw_quad": 40, "smssma_kw": 40, "smssma_kws_lin": 40, "smssma_kws_quad": 40, "smssma_lambda": 40, "smssma_nu_max": 40, "smssma_nu_min": 40, "smssma_nu_quad": 40, "smssma_refc0": 40, "smssma_refq": 40, "smssma_sigma_max": 40, "smssma_sigma_min": 40, "smssma_sigma_quad": 40, "so": [1, 6, 7, 68, 99, 107], "societi": 108, "softwar": [1, 5, 6, 7, 19, 68, 108], "sold": 68, "soldot_bulk": 48, "soldot_flux": 48, "soldot_inlet": 48, "soldot_inlet_comp_xxx": 48, "soldot_inlet_port_xxx": 48, "soldot_inlet_port_xxx_comp_yyi": 48, "soldot_outlet": 48, "soldot_outlet_comp_xxx": 48, "soldot_outlet_port_xxx": 48, "soldot_outlet_port_xxx_comp_yyi": 48, "soldot_particl": 48, "soldot_particle_partype_xxx": 48, "soldot_solid": 48, "soldot_solid_partype_xxx": 48, "soldot_volum": 48, "sole": [26, 46, 50, 68], "solid": [3, 18, 20, 23, 37, 39, 40, 41, 46, 48, 51, 53, 56, 58, 59, 60, 63, 64, 69, 75, 77, 81, 84, 86, 90, 91, 95, 98, 99, 104, 108], "solut": [2, 3, 18, 19, 23, 41, 44, 45, 49, 53, 55, 57, 60, 63, 64, 92, 95, 99, 102, 103, 104, 107], "solution_bulk": 48, "solution_flux": 48, "solution_inlet": 48, "solution_inlet_comp_xxx": 48, "solution_inlet_port_xxx": 48, "solution_inlet_port_xxx_comp_yyi": 48, "solution_outlet": [3, 48], "solution_outlet_comp_xxx": 48, "solution_outlet_port_xxx": 48, "solution_outlet_port_xxx_comp_yyi": 48, "solution_particl": 48, "solution_particle_partype_xxx": 48, "solution_solid": 48, "solution_solid_partype_xxx": 48, "solution_tim": [3, 48], "solution_volum": 48, "solv": [2, 6, 19, 57, 60, 63, 93, 107], "solvent": 104, "solver": [2, 3, 17, 19, 44, 45, 58, 60, 63, 64, 65, 93, 107, 108], "solver_nam": 42, "some": [1, 2, 3, 5, 6, 7, 14, 26, 46, 49, 50, 56, 68, 70, 75, 88, 90, 93, 95, 99, 105, 107], "sometim": 19, "sourc": [3, 4, 6, 13, 14, 15, 18, 19, 26, 50, 65, 68, 75, 93, 94, 100, 101, 104], "source_xxx": [44, 45], "sp": [20, 21, 23, 24, 25, 27, 28, 29, 30, 31, 33, 34, 35, 36, 37, 38, 39, 40, 41, 46, 48, 58, 59, 60, 63, 64, 95], "space": [56, 57, 58, 60, 63], "span": 107, "spare": 68, "spars": [6, 58, 65], "spatial": [2, 3, 6, 44, 45, 58, 61, 65, 67, 99, 102, 103, 104, 107], "spatial_method": [44, 45, 60, 63, 64], "speak": 68, "speci": [74, 104], "special": [3, 68, 71], "speciefi": 3, "specif": [3, 4, 5, 6, 7, 17, 18, 56, 57, 58, 60, 63, 64, 65, 67, 68, 75, 92, 94, 102, 103, 104], "specifi": [1, 3, 7, 18, 26, 32, 46, 49, 50, 55, 56, 57, 58, 59, 60, 62, 63, 64, 65, 66, 67, 68, 69, 93, 99, 104, 107], "speed": [6, 95], "sphere": [58, 60, 63], "spheric": [99, 102, 103], "sphinx": [0, 106], "sphinx_multivers": 106, "sphinxcontrib": 106, "spirit": 68, "spline": [3, 18, 101], "split": 95, "split_components_data": [3, 48, 53], "split_ports_data": [3, 48, 53], "spread": [26, 45, 75], "springer": 108, "springerlink": 108, "sqrt": 81, "squar": 7, "src": [4, 6, 13, 14, 15], "stabil": [24, 25, 56], "stabl": [2, 19, 43], "stage": 4, "stagger": 107, "stagnant": [99, 102], "stand": 68, "standard": [1, 6, 7, 13, 14, 26, 43, 44, 50, 68, 78, 97, 99, 104], "star": 81, "start": [3, 6, 7, 18, 55, 56, 68, 107], "startup": 7, "state": [2, 3, 6, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 38, 39, 41, 44, 45, 46, 48, 53, 56, 57, 58, 59, 60, 63, 64, 65, 68, 70, 73, 74, 75, 77, 85, 95, 98, 99, 103, 107], "statement": [6, 68], "statetyp": 6, "static": [1, 7, 15], "stationari": [3, 18, 20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 75, 98, 99, 102, 103, 108], "statu": [15, 68], "std": 6, "steep": [56, 60, 63, 64, 107], "stefan": 108, "stem": 104, "step": [1, 2, 4, 5, 6, 15, 16, 18, 55, 68, 93, 101, 105, 108], "steric": [23, 26, 39, 45, 72, 75, 88, 108], "steric_mass_act": 41, "steven": 108, "stiff": 107, "still": [1, 3, 6, 7, 18, 26, 32, 102], "stir": [44, 45, 61, 93, 95, 100], "stirredtankmodel": 6, "stochiometr": 52, "stoichiometr": [50, 51, 95, 96], "stoichiometri": 52, "stop": [3, 4], "storag": [3, 46, 48, 51, 57, 68, 93, 104], "store": [3, 7, 18, 46], "strang": 56, "strategi": [44, 45], "stream": 105, "strength": [71, 81, 86], "strictli": [93, 105], "string": [6, 7, 18, 42, 47, 49, 54, 58, 59, 60, 62, 63, 64, 65, 66, 67], "strong": [56, 86, 107], "stronger": 40, "strongest": 40, "strongli": [6, 7, 19, 40, 86], "structur": [3, 13, 14, 15, 18, 44, 60, 107], "studi": 108, "studio": [1, 4, 7], "style": 5, "subdivid": 68, "subgroup": [58, 59, 60, 63, 64, 65], "subject": [13, 14, 15, 68], "sublicens": 68, "submit": [99, 102, 103], "submodel": 107, "subprogram": 68, "subroutin": 68, "subscript": 46, "subsect": [6, 68], "subsequ": [46, 60], "subsolv": 42, "subspac": [57, 58, 60, 63], "substanti": [68, 107], "substitut": 6, "substrat": [52, 96], "subtract": 104, "successfulli": [3, 107], "sudden": 56, "sudo": 13, "sue": 68, "suffer": 56, "suffic": 68, "suffici": [56, 107], "sugarcan": 108, "suggest": 5, "suit": [1, 108], "suitabl": 95, "suitespars": [58, 65], "sum": [46, 58, 59, 60, 63, 81, 99, 104], "sum_": [37, 58, 60, 63, 69, 70, 72, 75, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 90, 93, 95, 98, 99, 101, 102, 103, 104, 107], "sum_i": [58, 60, 95], "sum_j": [73, 74, 97, 98, 99], "sundial": [1, 2, 107, 108], "superfici": 99, "superlu": [58, 65], "supervis": 19, "supplement": 68, "suppli": [58, 97], "support": [1, 2, 3, 19, 26, 44, 68, 73, 74, 92, 94, 99, 102, 103, 107], "suppos": 46, "suppress": 56, "sure": [6, 7, 68, 98], "surfac": [3, 18, 23, 24, 26, 37, 39, 40, 41, 45, 58, 60, 71, 75, 81, 85, 86, 99, 102, 103, 104, 108], "surface_diffus": 18, "surpass": 56, "surrend": 68, "surviv": 68, "sustain": 68, "sw": 89, "swing": 108, "switch": [3, 32, 57, 92], "switch_000": 3, "switch_xxx": [44, 45, 93], "symmetri": 97, "system": [1, 2, 6, 14, 17, 44, 45, 46, 48, 55, 60, 63, 68, 92, 96, 100, 101, 104, 105, 107, 108], "systemat": 68, "s\u00fcleyman": 108, "t": [2, 3, 6, 26, 50, 52, 53, 56, 57, 69, 70, 72, 73, 74, 75, 76, 77, 78, 79, 82, 85, 86, 87, 88, 90, 93, 94, 96, 97, 98, 99, 101, 102, 103, 104, 107, 108], "t_": [2, 3, 57, 75, 93, 94, 97, 99, 101, 107], "t_0": 107, "t_1": [101, 107], "t_2": 101, "t_i": [3, 107], "t_k": 101, "tab": [44, 107], "tabl": [7, 46, 57, 75, 93, 99, 100, 107], "tail": 78, "take": [1, 15, 26, 50, 55, 68, 75, 82, 87, 90, 104, 107], "taken": [7, 26, 54, 55, 93, 103, 104, 105], "tandfonlin": 108, "tangibl": 68, "tank": [19, 44, 45, 61, 91, 93, 100], "target": 93, "task": 107, "tau": 107, "tbb": [1, 14, 15, 19], "tbbroot": 15, "technic": [6, 104], "techniqu": [19, 75], "technolog": 68, "technologi": 108, "tediou": 17, "tell": 68, "temperatur": [75, 94, 108], "templat": 6, "tend": 71, "tendenc": 56, "tensor": [48, 53], "tentacl": 86, "term": [32, 46, 56, 60, 63, 64, 68, 77, 81, 82, 87, 88, 95, 99, 102, 103, 104, 107], "termin": [13, 68, 93, 105], "test": [1, 5, 55, 107], "test_cas": 7, "testher": 7, "testradialkernel": 7, "testrunn": [1, 7], "text": [2, 7, 15, 23, 32, 37, 38, 48, 69, 70, 71, 72, 75, 76, 77, 78, 79, 80, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 93, 95, 96, 97, 98, 99, 101, 102, 103, 104, 107], "texttt": [26, 47, 48, 49, 50, 51, 52, 53, 54, 55, 57, 58, 59, 60, 62, 63, 64, 65, 66, 67], "th": [3, 20, 48, 57, 99, 108], "than": [3, 14, 17, 19, 48, 56, 57, 58, 60, 63, 68, 75, 99, 102, 103, 107], "thei": [3, 18, 56, 58, 60, 63, 64, 68, 69, 75, 79, 81, 99], "them": [1, 7, 18, 68, 93, 107], "theorem": 56, "theoret": [56, 108], "theori": [56, 107, 108], "therefor": [15, 68, 69, 70, 77, 79, 99, 102, 103, 104], "thermodynam": 108, "thesi": 2, "thi": [1, 2, 3, 4, 5, 6, 7, 14, 15, 16, 17, 18, 19, 21, 26, 32, 44, 46, 48, 50, 53, 56, 57, 58, 59, 60, 63, 64, 65, 67, 68, 70, 71, 73, 74, 75, 77, 80, 81, 83, 84, 85, 87, 88, 92, 93, 94, 95, 96, 97, 99, 102, 104, 105, 107], "thiemo": 108, "thing": [6, 68], "think": 6, "third": [6, 68, 75, 94, 104], "those": [26, 44, 46, 50, 56, 68, 75, 95], "though": [4, 68], "thread": [1, 15, 55], "threaten": 68, "three": [6, 46, 57, 67, 68, 75], "threshold": [32, 81], "through": [1, 4, 19, 68, 97, 99, 102, 103], "throughout": [93, 99], "thrown": 6, "thu": [3, 26, 50, 56, 68, 89, 90, 99, 102, 103, 107], "thumb": 54, "tild": [60, 75], "time": [1, 2, 5, 6, 9, 15, 18, 44, 46, 47, 48, 51, 53, 55, 56, 57, 58, 59, 60, 63, 64, 65, 68, 75, 93, 94, 95, 97, 99, 101, 104, 108], "time_integr": [3, 44, 45, 60, 63, 107], "time_sim": 47, "timepoint": 55, "timer": 1, "timespan": 107, "timestep": 55, "tingyu": 108, "tobia": 108, "togeth": [60, 63, 105, 107], "toler": [3, 7, 54, 55, 56, 107], "tolsma": 108, "tomographi": 104, "too": [68, 107], "took": 47, "tool": [1, 15, 68], "toolkit": 19, "top": [15, 56], "topologi": 93, "tot": 81, "total": [3, 18, 23, 37, 39, 40, 41, 46, 56, 60, 63, 64, 81, 93, 99, 103, 104, 107], "total_poros": 64, "toward": 75, "tracer": 108, "trade": [56, 68], "trademark": 68, "tradeoff": [57, 58, 60, 63], "transact": [68, 108], "transfer": [68, 89, 99, 102], "transform": [75, 95], "transit": [3, 55, 93], "translat": [7, 18], "transmiss": 68, "transport": [1, 2, 3, 6, 18, 44, 45, 61, 67, 75, 97, 99, 100, 102, 103, 108], "treament": 71, "treat": [6, 46, 53, 58, 60, 63, 64, 65, 68], "treati": 68, "treatment": 56, "tri": 107, "trigger": [6, 93], "triplet": 1, "troubl": 6, "true": [3, 14, 18, 58, 60], "truncat": 107, "try": [3, 6], "tt": [26, 50], "ttmann": [6, 108], "ttt": [26, 50], "tube": [19, 93], "tune": 56, "turn": [90, 93], "tutori": [3, 16, 18], "twice": 93, "two": [3, 6, 17, 44, 45, 47, 56, 60, 61, 63, 64, 68, 69, 75, 79, 81, 85, 89, 93, 99, 100, 104, 107], "txt": [0, 4, 6, 7], "type": [4, 6, 7, 20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 64, 65, 67, 68, 69, 75, 79, 85, 91, 94, 98, 100, 102, 107], "typic": [3, 7, 19, 56, 68], "u": [2, 19, 97, 99, 102, 103, 104], "u_": [97, 99], "u_k": 97, "u_l": 104, "ultim": 56, "umfpack": [58, 65], "unaccept": 68, "unavoid": 19, "unbalanc": 105, "undefin": 56, "under": [4, 19, 56, 67, 68, 95, 108], "underbrac": [86, 99], "undergo": 104, "underli": [1, 56, 60, 63, 64], "underresolv": 56, "unfortun": 56, "uniqu": [6, 7], "unit": [3, 5, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 44, 45, 47, 48, 49, 50, 53, 54, 55, 58, 59, 60, 63, 64, 65, 67, 75, 92, 94, 97, 98, 99, 101, 105, 107], "unit_000": 3, "unit_001": 3, "unit_002": 3, "unit_typ": [3, 45, 61, 62, 66], "unit_xxx": [20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 44, 45, 50, 51, 52, 61], "unit_yyi": 44, "unitopid": [3, 57], "unitopord": 48, "unknown": 56, "unless": [15, 57, 68], "unlik": 107, "unlimit": [55, 68], "unmodifi": [60, 68], "unnecessari": 68, "unordered_map": 6, "unpack": 68, "unphys": 98, "unreason": 98, "unset": 1, "unsign": 6, "unspecifi": 46, "unstabl": 43, "unsur": 3, "until": [56, 68, 93], "unus": 57, "up": [2, 5, 6, 17, 90, 93, 97, 108], "updat": [1, 6, 13, 14, 44, 68, 107], "upgrad": 19, "uppercas": 46, "uptak": 98, "upwind": [3, 43], "url": 108, "us": [0, 1, 2, 3, 4, 5, 6, 7, 13, 14, 15, 17, 18, 19, 26, 32, 44, 49, 50, 54, 55, 56, 57, 58, 59, 60, 63, 64, 65, 67, 68, 70, 71, 75, 77, 81, 90, 93, 94, 95, 97, 98, 99, 102, 107, 108], "use_analytic_jacobian": [3, 58, 59, 60, 64, 65], "use_modified_newton": [55, 60, 63], "useanalyticjacobian": 6, "user": [2, 6, 56, 68, 98, 99], "user_defin": 58, "user_defined_par": [58, 60], "user_solution_tim": [3, 55, 107], "usual": [3, 7, 60, 67, 95], "util": [1, 7, 19, 93, 108], "v": [4, 7, 53, 91, 98, 99, 102, 103, 104, 108], "v3": 68, "v_": 104, "v_1": 104, "v_2": 104, "v_n": 104, "valid": [6, 7, 17, 26, 46, 50, 55, 58, 60, 63, 64, 65, 68, 104], "valu": [3, 6, 7, 17, 20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 44, 46, 49, 55, 56, 57, 58, 59, 60, 63, 64, 65, 75, 93, 99, 107], "valuabl": 5, "valv": [19, 57, 92], "varepsilon": [43, 71], "varepsilon_": [56, 97, 99, 102], "varepsilon_c": [97, 99, 103], "varepsilon_p": 103, "varepsilon_t": [103, 104], "vari": [26, 81, 93, 97, 98], "variabl": [2, 3, 6, 7, 18, 49, 67, 86, 93, 102, 107], "variant": [1, 21, 26, 50, 60, 63, 64, 71, 80, 83, 84, 100], "variat": 71, "variou": [58, 59, 60, 63, 64, 65, 107], "varphi": 95, "vascular": 104, "vcpkg": [1, 15], "vcpkg_root": 15, "vcxproj": 15, "vdot": [65, 104], "veclib": 14, "vector": [1, 2, 3, 6, 18, 26, 42, 44, 45, 46, 48, 50, 53, 55, 57, 58, 59, 60, 63, 64, 65, 99, 107], "veloc": [2, 46, 49, 57, 58, 60, 63, 64, 65, 67, 93, 102, 103, 104], "velocity_coeff": 67, "velocity_multiplex": [58, 65], "vendor": 1, "verbatim": 68, "veri": [3, 7, 14, 17, 56, 71, 107], "verifi": [6, 7], "versa": 95, "version": [1, 3, 4, 6, 13, 14, 15, 46, 47, 68, 74, 75], "vessel": 95, "via": [2, 6, 14, 17, 19, 56, 81, 93, 97, 99, 107], "vice": 95, "view": 68, "violat": 68, "visibl": 68, "visual": [1, 4, 7], "void": [6, 68], "volum": [3, 18, 45, 46, 48, 51, 53, 54, 56, 58, 59, 61, 65, 68, 81, 91, 93, 97, 98, 99, 102, 103, 104], "volumetr": [2, 3, 57, 67, 93, 97, 99, 102, 103, 104], "von": [19, 108], "w": [6, 52, 68, 89, 96, 104], "wa": [2, 3, 4, 7, 47, 53, 68, 74, 104], "wai": [1, 6, 7, 15, 26, 46, 50, 68, 71, 78, 107], "wait": 15, "waiv": 68, "waiver": 68, "wall": [56, 99, 102, 103], "wang": [74, 108], "want": [3, 6, 7, 15, 17, 18, 68], "warranti": 68, "wash": [3, 9, 46], "water": [23, 26, 45, 75, 108], "wayn": 108, "we": [1, 2, 3, 4, 5, 6, 7, 15, 17, 18, 19, 49, 56, 60, 63, 64, 67, 68, 75, 100, 104], "weak": 86, "weaken": 95, "weaker": 40, "weakest": 40, "weakli": 40, "web": 19, "weight": [43, 93], "welcom": 68, "well": [2, 6, 7, 18, 56, 68, 95, 98, 107], "weno": [3, 44, 45, 56, 58, 60, 63, 64, 65], "weno_ep": [3, 43], "weno_ord": [3, 43], "went": 6, "were": [68, 107], "wessl": 108, "westerberg": 108, "what": 68, "whatev": 68, "when": [1, 3, 5, 6, 7, 18, 26, 46, 50, 56, 58, 60, 63, 64, 65, 68, 71, 75, 93, 98, 99, 107], "where": [2, 3, 6, 15, 17, 18, 26, 50, 56, 57, 60, 68, 69, 71, 72, 75, 77, 81, 86, 88, 90, 93, 94, 95, 96, 97, 98, 99, 101, 102, 103, 104, 107], "wherea": [46, 95, 97, 99, 107], "whether": [3, 49, 53, 55, 57, 58, 59, 60, 63, 64, 65, 68, 75, 93, 98], "which": [1, 2, 3, 6, 7, 14, 17, 18, 19, 26, 46, 47, 48, 53, 55, 56, 57, 67, 68, 70, 72, 75, 76, 77, 81, 85, 86, 88, 90, 93, 95, 96, 97, 98, 99, 101, 104, 107], "while": [1, 46, 56, 60, 63, 64, 75, 93, 94, 97, 104, 107], "whitlei": 108, "who": [19, 68], "whole": [68, 107], "whom": 68, "whose": [6, 68], "why": [7, 56, 68], "wide": [7, 68], "wilei": 108, "william": 108, "window": [1, 2, 17, 19, 68], "wipo": 68, "wise": 56, "wish": 68, "within": [6, 7, 15, 56, 60, 63, 68, 104], "without": [3, 6, 7, 14, 15, 44, 45, 57, 59, 61, 67, 68, 69, 70, 73, 74, 77, 79, 98, 99, 100], "won": 56, "woodward": 108, "work": [19, 44, 56, 68, 93, 107], "workload": 15, "workspac": 6, "worldwid": 68, "would": [68, 99, 107], "wrap": 2, "write": [3, 5, 6, 53, 68, 93], "write_coordin": 53, "write_sens_bulk": 53, "write_sens_flux": 53, "write_sens_inlet": 53, "write_sens_last": [48, 53], "write_sens_last_unit": 53, "write_sens_outlet": 53, "write_sens_particl": 53, "write_sens_solid": 53, "write_sens_volum": 53, "write_sensdot_bulk": 53, "write_sensdot_flux": 53, "write_sensdot_inlet": 53, "write_sensdot_outlet": 53, "write_sensdot_particl": 53, "write_sensdot_solid": 53, "write_sensdot_volum": 53, "write_soldot_bulk": 53, "write_soldot_flux": 53, "write_soldot_inlet": 53, "write_soldot_outlet": 53, "write_soldot_particl": 53, "write_soldot_solid": 53, "write_soldot_volum": 53, "write_solution_bulk": [3, 53], "write_solution_flux": 53, "write_solution_inlet": [3, 53], "write_solution_last": [48, 53], "write_solution_last_unit": [48, 53], "write_solution_outlet": [3, 53], "write_solution_particl": 53, "write_solution_solid": 53, "write_solution_tim": [48, 53], "write_solution_volum": 53, "written": [5, 46, 48, 68], "wrong": [3, 6, 7, 26, 50], "wu": 108, "www": [68, 108], "x": [6, 14, 19, 49, 75, 104, 108], "x64": [1, 15], "x86": 15, "xlabel": 3, "xml": [19, 44], "xu": 108, "xuankuo": 108, "xxx": [26, 48, 50, 57, 75, 94], "xxx_comp_000": 53, "xxx_comp_001": 53, "xxx_ka": 75, "xxx_ka_t": 75, "xxx_ka_tt": 75, "xxx_ka_ttt": 75, "xxx_kfwd": 94, "xxx_kfwd_t": 94, "xxx_kfwd_tt": 94, "xxx_kfwd_ttt": 94, "xxx_port_000": 53, "xxx_port_001": 53, "xxx_refc0": 26, "xxx_refq": 26, "xxx_yyi": [26, 50], "xyz": 46, "y": [2, 6, 13, 107], "y_": 107, "y_0": 107, "ycp": 6, "ye": 32, "year": [6, 68], "yet": [3, 49], "yield": [56, 93], "ylabel": 3, "you": [3, 4, 5, 6, 7, 13, 14, 15, 17, 19, 46, 56, 68], "your": [5, 6, 13, 15, 68], "youremodelnam": 6, "yourmodelnamebind": 6, "yourself": 68, "yukawa": 81, "yyi": [26, 48, 50], "y\u00fcce": 108, "z": [2, 97, 99, 102, 103, 104, 108], "zero": [43, 56, 60, 81, 104, 107], "ziad": 108, "zone": [58, 97], "\u00e1": 108, "\u00fc": 108, "\u010d": 108}, "titles": ["CADET Documentation", "CADET build options", "Software Architecture", "CADET-Python Introduction", "CADET-Core debugging", "Developer Guide", "Model Expansion", "CADET-Core testing", "Batch chromatography", "Examples", "Load Wash Elute", "Chemical reactions", "Residence time distributions", "Build for Linux", "Build for OSX", "Build for MS Windows", "Getting started", "Installation", "CADET Introduction", "CADET", "Bi Steric Mass Action", "Extended Mobile Phase Modulator Langmuir", "Freundlich LDF", "Generalized Ion Exchange", "HIC Constant Water Activity", "HIC Water on Hydrophobic Surfaces", "Binding models", "Linear", "Mobile Phase Modulator Langmuir", "Multi Component Anti-Langmuir", "Multi Component Bi-Langmuir", "Multi Component Bi-Langmuir LDF", "Multi Component Colloidal", "Multi Component Langmuir", "Multi Component Langmuir LDF", "Multi Component Langmuir LDF Liquid Phase", "Multi Component Spreading", "Multi-State Steric Mass Action", "Saska", "Self Association", "Simplified Multi-State Steric Mass Action", "Steric Mass Action", "Nonlinear solver for consistent initialization", "Flux reconstruction methods", "Interface specifications", "Input Group", "Introduction", "Meta Group", "Output Group", "Parameter Dependencies", "Reaction models", "Mass Action Law", "Michaelis Menten kinetics", "Return data", "Parameter Sensitivities", "Solver Configuration", "Spatial discretization methods", "System of unit operations", "Two dimensional general rate model", "Continuous stirred tank reactor model", "General Rate Model", "Unit Operations", "Inlet", "Lumped rate model with pores", "Lumped Rate Model Without Pores", "Multichannel Transport model (MCT model)", "Outlet", "Radial Flow Models", "License", "Bi Steric Mass Action", "Extended Mobile Phase Modulator Langmuir", "Freundlich LDF", "Generalized Ion Exchange", "HIC Constant Water Activity", "HIC Water on Hydrophobic Surfaces", "Binding models", "Linear", "Mobile Phase Modulator Langmuir", "Multi Component Anti-Langmuir", "Multi Component Bi-Langmuir", "Multi Component Bi-Langmuir LDF", "Multi Component Colloidal", "Multi Component Langmuir", "Multi Component Langmuir LDF", "Multi Component Langmuir LDF Liquid Phase", "Multi Component Spreading", "Multi-State Steric Mass Action", "Saska", "Self Association", "Simplified Multi-State Steric Mass Action", "Steric Mass Action", "&lt;no title&gt;", "Modelling", "Networks of unit operations", "Reaction models", "Mass action law", "Michaelis Menten kinetics", "Two Dimensional General rate model (GRM2D)", "Continuous stirred tank reactor model (CSTR)", "General rate model (GRM)", "Unit operation models", "Inlet", "Lumped rate model with pores (LRMP)", "Lumped rate model without pores (LRM)", "Multichannel Transport model (MCT model)", "Outlet", "&lt;no title&gt;", "Simulation", "Bibliography"], "titleterms": {"0": 3, "1": [3, 18], "1d": 46, "2": 3, "3": [3, 18], "4": [3, 18], "acknowledg": 19, "action": [20, 37, 40, 41, 51, 69, 86, 89, 90, 95], "activ": [24, 73], "ad": 7, "adapt": 107, "adsorpt": [3, 18], "algorithm": 6, "anti": [29, 78], "architectur": 2, "associ": [39, 88], "assumpt": 2, "backward": 95, "base": 15, "batch": 8, "bi": [20, 30, 31, 69, 79, 80], "bibliographi": 108, "binari": 17, "bind": [6, 26, 75, 104], "bug": 19, "build": [1, 13, 14, 15], "built": 17, "cadet": [0, 1, 3, 4, 7, 13, 14, 15, 17, 18, 19], "capabl": 2, "case": 104, "chemic": 11, "choic": 56, "chromatographi": [8, 99], "cite": 19, "clink": 15, "cmakeset": 1, "code": 15, "colloid": [32, 81], "column": 18, "command": 15, "common": 46, "compon": [26, 29, 30, 31, 32, 33, 34, 35, 36, 78, 79, 80, 81, 82, 83, 84, 85], "concentr": 75, "condit": [3, 18], "configur": 55, "connect": [3, 18, 57, 93], "consist": [42, 107], "consistency_solv": 42, "constant": [24, 73, 75, 95], "continu": [59, 98], "converg": 56, "coordin": 48, "core": [4, 7, 17], "correl": [49, 95], "cstr": [59, 98], "data": [46, 53], "dataset": 46, "debug": 4, "default": [60, 63, 64], "depend": [13, 14, 26, 46, 49, 50, 75, 94], "descript": 46, "detail": [2, 56], "develop": [5, 19], "dg": 56, "differ": [75, 100], "differenti": 6, "dimension": [46, 58, 97], "direct": [97, 99], "discontinu": [60, 63, 64], "discret": [3, 42, 43, 56, 58, 60, 63, 64, 65, 67], "distribut": 12, "document": 0, "donat": 19, "drive": 75, "dynam": 93, "elut": 10, "equilibrium": 75, "exampl": 9, "exchang": [23, 72], "exclus": 99, "exercis": 3, "expans": 6, "extend": [21, 70], "extern": [26, 50, 57, 75, 94], "extfun_typ": 57, "featur": [2, 19, 75, 100], "file": [44, 46], "finit": [60, 63, 64], "flow": [67, 93, 97, 99, 102, 103], "flux": 43, "forc": 75, "format": [44, 46], "forward": 95, "freundlich": [22, 71], "from": [15, 17], "frontend": 17, "function": [75, 94], "galerkin": [60, 63, 64], "gener": [3, 18, 23, 58, 60, 72, 97, 99], "general_rate_model": 60, "general_rate_model_2d": 58, "geometri": 99, "get": 16, "global": 46, "grm": 99, "grm2d": 97, "group": [42, 43, 45, 46, 47, 48, 49, 53, 54, 55, 56, 57, 58, 59, 60, 62, 63, 64, 65, 66, 67], "guid": 5, "hic": [24, 25, 73, 74], "hydrophob": [25, 74], "identifi": 46, "implement": [2, 7], "initi": [3, 18, 42, 107], "inlet": [3, 18, 62, 101], "input": [42, 43, 45, 46, 49, 53, 54, 55, 56, 57, 58, 59, 60, 62, 63, 64, 65, 66, 67], "instal": [13, 17, 19], "intel": 15, "interfac": 44, "introduct": [3, 18, 46], "ion": [23, 72], "joint": 107, "json": 1, "kinet": [52, 96, 104], "langmuir": [21, 28, 29, 30, 31, 33, 34, 35, 70, 77, 78, 79, 80, 82, 83, 84], "lapack": [13, 14], "law": [51, 95], "ldf": [22, 31, 34, 35, 71, 75, 80, 83, 84], "licens": 68, "line": 15, "linear": [27, 75, 76, 93, 104], "linear_interp_data": 57, "linux": 13, "liquid": [35, 84], "load": 10, "lrm": 103, "lrmp": 102, "lump": [63, 64, 102, 103, 104], "lumped_rate_model_with_por": 63, "lumped_rate_model_without_por": 64, "m": 15, "mainten": 7, "manufactur": 7, "mass": [20, 37, 40, 41, 51, 69, 86, 89, 90, 95], "matrix": 75, "mct": [65, 104], "menten": [52, 96], "meta": 47, "method": [43, 56, 60, 63, 64], "micha": [52, 96], "mobil": [21, 28, 70, 77], "model": [3, 6, 7, 18, 26, 42, 43, 46, 49, 50, 56, 57, 58, 59, 60, 62, 63, 64, 65, 66, 67, 75, 92, 94, 97, 98, 99, 100, 102, 103, 104], "modul": [21, 28, 70, 77], "multi": [29, 30, 31, 32, 33, 34, 35, 36, 37, 40, 46, 78, 79, 80, 81, 82, 83, 84, 85, 86, 89], "multi_channel_transport": 65, "multichannel": [65, 104], "multipl": [26, 50, 99], "network": 93, "non": 26, "nonlinear": 42, "notat": 46, "note": 56, "numer": [7, 60, 63, 64], "oneapi": 15, "ongo": 19, "oper": [2, 6, 46, 57, 61, 93, 100], "option": [1, 15], "order": [46, 56], "osx": 14, "outlet": [3, 66, 105], "output": 48, "param_xxx": [48, 54], "paramet": [43, 46, 49, 54, 56, 107], "paramt": 42, "particl": [26, 50, 99], "phase": [21, 28, 35, 70, 77, 84], "piecewise_cubic_poli": 57, "plant": 104, "plot": [3, 18], "pore": [63, 64, 102, 103, 104], "pre": 17, "preliminari": 3, "prepar": 15, "prerequisit": [13, 14, 15], "procedur": 7, "process": [17, 18], "properti": 18, "public": 6, "python": 3, "radial": [67, 99, 102, 103], "radial_general_rate_model": 67, "rate": [3, 18, 58, 60, 63, 64, 93, 95, 97, 99, 102, 103, 104], "reaction": [11, 50, 94], "reactor": [59, 98], "recommend": 56, "reconstruct": 43, "refer": [7, 75], "refin": 56, "resid": 12, "result": [3, 15, 18], "return": 53, "run": [3, 7, 18], "saska": [38, 87], "sec_xxx": 62, "section": [3, 46, 55, 107], "self": [39, 88], "sensit": [48, 54, 107], "set": [3, 18], "setup": 107, "simplifi": [40, 89], "simul": [3, 17, 18, 107], "size": [56, 99], "smooth": 56, "softwar": 2, "solut": [7, 48, 56, 93], "solver": [42, 55, 57], "sourc": 17, "source_xxx": 57, "spatial": [56, 60, 63, 64], "spatial_method": 56, "specif": [44, 93, 97, 99, 107], "spread": [36, 85], "start": 16, "state": [37, 40, 49, 86, 89], "step": [3, 107], "steric": [20, 37, 40, 41, 69, 86, 89, 90], "stir": [59, 98], "strategi": 56, "structur": 46, "studio": 15, "submodel": 2, "support": [75, 100], "surfac": [25, 74], "switch": 93, "switch_xxx": 57, "system": [3, 18, 56, 57, 93], "tank": [59, 98], "test": [6, 7, 15], "time": [3, 12, 107], "time_integr": 55, "toolkit": 15, "tracer": 104, "transit": 107, "transport": [65, 104], "two": [58, 97], "type": [26, 50, 62, 66, 99], "unit": [2, 6, 7, 46, 57, 61, 62, 66, 93, 100], "unit_typ": [58, 59, 60, 63, 64, 65, 67], "unit_xxx": [42, 43, 46, 48, 49, 53, 56, 58, 59, 60, 62, 63, 64, 65, 66, 67], "unit_yyi": 48, "unknown": 99, "up": [3, 18], "us": [46, 104], "valv": 93, "variabl": 99, "vector": 56, "veloc": [97, 99], "version": 44, "visual": 15, "volum": [60, 63, 64], "wash": 10, "water": [24, 25, 73, 74], "weno": 43, "window": 15, "without": [64, 103, 104], "your": 7}})
\ No newline at end of file
+Search.setIndex({"alltitles": {"/output/coordinates/unit_XXX": [[48, "output-coordinates-unit-xxx"]], "0. Preliminary Steps": [[3, "preliminary-steps"]], "1. Setting Up the Model": [[3, "setting-up-the-model"], [18, "setting-up-the-model"]], "2. Setting up Time Sections and Connections": [[3, "setting-up-time-sections-and-connections"]], "3. Setting Up the Simulator and Running the Simulation": [[3, "setting-up-the-simulator-and-running-the-simulation"], [18, "setting-up-the-simulator-and-running-the-simulation"]], "4. Plotting the Results": [[3, "plotting-the-results"], [18, "plotting-the-results"]], "Acknowledgments": [[19, "acknowledgments"]], "Adaptivity": [[107, "adaptivity"]], "Adding tests for your model": [[7, "adding-tests-for-your-model"]], "Adsorption Model": [[3, "adsorption-model"], [18, "adsorption-model"]], "Algorithmic differentiation": [[6, "algorithmic-differentiation"]], "Batch chromatography": [[8, null]], "Bi Steric Mass Action": [[20, null], [69, null]], "Bibliography": [[108, null]], "Binding Model": [[6, "binding-model"]], "Binding model feature matrix": [[75, "binding-model-feature-matrix"]], "Binding models": [[26, null], [75, null]], "Bugs": [[19, "bugs"]], "Build CADET": [[13, "build-cadet"], [14, "build-cadet"]], "Build CADET from the command line": [[15, "build-cadet-from-the-command-line"]], "Build CADET in Visual Studio": [[15, "build-cadet-in-visual-studio"]], "Build dependencies": [[14, "build-dependencies"]], "Build for Linux": [[13, null]], "Build for MS Windows": [[15, null]], "Build for OSX": [[14, null]], "CADET": [[19, null]], "CADET Documentation": [[0, null]], "CADET Introduction": [[18, null]], "CADET build options": [[1, null]], "CADET-Core debugging": [[4, null]], "CADET-Core testing": [[7, null]], "CADET-Python Introduction": [[3, null]], "Chemical reactions": [[11, null]], "Citing": [[19, "citing"]], "Column Model": [[18, "column-model"]], "Common notation and identifiers used in the file format description": [[46, "id5"]], "Consistent initialization": [[107, "consistent-initialization"]], "Continuous stirred tank reactor model": [[59, null]], "Continuous stirred tank reactor model (CSTR)": [[98, null]], "Correlation of forward- and backward rate constants": [[95, "correlation-of-forward-and-backward-rate-constants"]], "Correlations": [[49, "correlations"]], "Dependence on external function": [[75, "dependence-on-external-function"], [94, "dependence-on-external-function"]], "Developer Guide": [[5, null]], "Discontinuous Galerkin": [[60, "discontinuous-galerkin"], [63, "discontinuous-galerkin"], [64, "discontinuous-galerkin"]], "Discrete system size": [[56, "discrete-system-size"]], "Donations": [[19, "donations"]], "Dynamic flow rates": [[93, "dynamic-flow-rates"]], "Equilibrium constants": [[75, "equilibrium-constants"]], "Examples": [[9, null]], "Exercises": [[3, "exercises"]], "Extended Mobile Phase Modulator Langmuir": [[21, null], [70, null]], "Externally dependent binding models": [[26, "externally-dependent-binding-models"]], "Externally dependent reaction models": [[50, "externally-dependent-reaction-models"]], "Features": [[19, "features"]], "Features and Capabilities": [[2, "features-and-capabilities"]], "File format versions": [[44, null]], "Finite Volumes (Default)": [[60, "finite-volumes-default"], [63, "finite-volumes-default"], [64, "finite-volumes-default"]], "Flux reconstruction methods": [[43, null]], "Freundlich LDF": [[22, null], [71, null]], "General Rate Model": [[3, "general-rate-model"], [18, "general-rate-model"], [60, null]], "General rate model (GRM)": [[99, null]], "Generalized Ion Exchange": [[23, null], [72, null]], "Getting started": [[16, null]], "Global structure": [[46, "global-structure"]], "Group /input/model": [[57, "group-input-model"]], "Group /input/model/connections": [[57, "group-input-model-connections"]], "Group /input/model/connections/switch_XXX": [[57, "group-input-model-connections-switch-xxx"]], "Group /input/model/external/source_XXX - EXTFUN_TYPE = LINEAR_INTERP_DATA": [[57, "group-input-model-external-source-xxx-extfun-type-linear-interp-data"]], "Group /input/model/external/source_XXX - EXTFUN_TYPE = PIECEWISE_CUBIC_POLY": [[57, "group-input-model-external-source-xxx-extfun-type-piecewise-cubic-poly"]], "Group /input/model/solver": [[57, "group-input-model-solver"]], "Group /input/model/unit_XXX": [[49, "group-input-model-unit-xxx"], [49, "id2"]], "Group /input/model/unit_XXX - UNIT-TYPE = INLET": [[62, "group-input-model-unit-xxx-unit-type-inlet"]], "Group /input/model/unit_XXX - UNIT-TYPE = OUTLET": [[66, "group-input-model-unit-xxx-unit-type-outlet"]], "Group /input/model/unit_XXX - UNIT_TYPE - GENERAL_RATE_MODEL": [[60, "group-input-model-unit-xxx-unit-type-general-rate-model"]], "Group /input/model/unit_XXX - UNIT_TYPE - RADIAL_GENERAL_RATE_MODEL": [[67, "group-input-model-unit-xxx-unit-type-radial-general-rate-model"]], "Group /input/model/unit_XXX - UNIT_TYPE = CSTR": [[59, "group-input-model-unit-xxx-unit-type-cstr"]], "Group /input/model/unit_XXX - UNIT_TYPE = GENERAL_RATE_MODEL_2D": [[58, "group-input-model-unit-xxx-unit-type-general-rate-model-2d"]], "Group /input/model/unit_XXX - UNIT_TYPE = LUMPED_RATE_MODEL_WITHOUT_PORES": [[64, "group-input-model-unit-xxx-unit-type-lumped-rate-model-without-pores"]], "Group /input/model/unit_XXX - UNIT_TYPE = LUMPED_RATE_MODEL_WITH_PORES": [[63, "group-input-model-unit-xxx-unit-type-lumped-rate-model-with-pores"]], "Group /input/model/unit_XXX - UNIT_TYPE = MULTI_CHANNEL_TRANSPORT": [[65, "group-input-model-unit-xxx-unit-type-multi-channel-transport"]], "Group /input/model/unit_XXX/discretization - UNIT_TYPE - GENERAL_RATE_MODEL": [[60, "group-input-model-unit-xxx-discretization-unit-type-general-rate-model"]], "Group /input/model/unit_XXX/discretization - UNIT_TYPE - GENERAL_RATE_MODEL_2D": [[58, "group-input-model-unit-xxx-discretization-unit-type-general-rate-model-2d"]], "Group /input/model/unit_XXX/discretization - UNIT_TYPE - RADIAL_GENERAL_RATE_MODEL": [[67, "group-input-model-unit-xxx-discretization-unit-type-radial-general-rate-model"]], "Group /input/model/unit_XXX/discretization - UNIT_TYPE = LUMPED_RATE_MODEL_WITHOUT_PORES": [[64, "group-input-model-unit-xxx-discretization-unit-type-lumped-rate-model-without-pores"]], "Group /input/model/unit_XXX/discretization - UNIT_TYPE = MULTI_CHANNEL_TRANSPORT": [[65, "group-input-model-unit-xxx-discretization-unit-type-multi-channel-transport"]], "Group /input/model/unit_XXX/discretization/SPATIAL_METHOD - Details on the methods": [[56, "group-input-model-unit-xxx-discretization-spatial-method-details-on-the-methods"]], "Group /input/model/unit_XXX/discretization/consistency_solver - Nonlinear consistency solver paramters": [[42, "group-input-model-unit-xxx-discretization-consistency-solver-nonlinear-consistency-solver-paramters"]], "Group /input/model/unit_XXX/discretization/weno - WENO Parameters": [[43, "group-input-model-unit-xxx-discretization-weno-weno-parameters"]], "Group /input/model/unit_XXX/sec_XXX": [[62, "group-input-model-unit-xxx-sec-xxx"]], "Group /input/return": [[53, "group-input-return"]], "Group /input/return/unit_XXX": [[53, "group-input-return-unit-xxx"]], "Group /input/sensitivity": [[54, "group-input-sensitivity"]], "Group /input/sensitivity/param_XXX": [[54, "group-input-sensitivity-param-xxx"]], "Group /input/solver": [[55, "group-input-solver"]], "Group /output": [[48, "group-output"]], "Group /output/sensitivity/param_XXX/unit_YYY": [[48, "group-output-sensitivity-param-xxx-unit-yyy"]], "Group /output/solution": [[48, "group-output-solution"]], "Group /output/solution/unit_XXX": [[48, "group-output-solution-unit-xxx"]], "Group /solver/sections": [[55, "group-solver-sections"]], "Group /solver/time_integrator": [[55, "group-solver-time-integrator"]], "HIC Constant Water Activity": [[24, null], [73, null]], "HIC Water on Hydrophobic Surfaces": [[25, null], [74, null]], "Implementation Details": [[2, "implementation-details"]], "Implementation procedure": [[7, "implementation-procedure"]], "Initial Conditions": [[3, "initial-conditions"], [18, "initial-conditions"]], "Inlet": [[62, null], [101, null]], "Inlet Model": [[3, "inlet-model"], [18, "inlet-model"]], "Input Group": [[45, null]], "Install CADET core simulator": [[17, "install-cadet-core-simulator"]], "Install CADET-Process": [[17, "install-cadet-process"]], "Install a frontend": [[17, "install-a-frontend"]], "Install dependencies": [[13, "install-dependencies"]], "Install from source": [[17, "install-from-source"]], "Install pre-built binaries": [[17, "install-pre-built-binaries"]], "Installation": [[17, null], [19, "installation"]], "Intel oneAPI Base Toolkit": [[15, "intel-oneapi-base-toolkit"]], "Interface specifications": [[44, null]], "Introduction": [[46, null]], "Joint parameters": [[107, "joint-parameters"]], "LAPACK": [[13, "lapack"], [14, "lapack"]], "License": [[68, null]], "Linear": [[27, null], [76, null]], "Linear Driving Force (LDF)": [[75, "linear-driving-force-ldf"]], "Load Wash Elute": [[10, null]], "Lumped Rate Model Without Pores": [[64, null]], "Lumped rate model with pores": [[63, null]], "Lumped rate model with pores (LRMP)": [[102, null]], "Lumped rate model without pores (LRM)": [[103, null]], "Maintenance of the tests": [[7, "maintenance-of-the-tests"]], "Manufactured solution": [[7, "manufactured-solution"]], "Mass Action Law": [[51, null]], "Mass action law": [[95, null]], "Meta Group": [[47, null]], "Michaelis Menten kinetics": [[52, null], [96, null]], "Mobile Phase Modulator Langmuir": [[28, null], [77, null]], "Model Expansion": [[6, null]], "Modelling": [[92, null]], "Multi Component Anti-Langmuir": [[29, null], [78, null]], "Multi Component Bi-Langmuir": [[30, null], [79, null]], "Multi Component Bi-Langmuir LDF": [[31, null], [80, null]], "Multi Component Colloidal": [[32, null], [81, null]], "Multi Component Langmuir": [[33, null], [82, null]], "Multi Component Langmuir LDF": [[34, null], [83, null]], "Multi Component Langmuir LDF Liquid Phase": [[35, null], [84, null]], "Multi Component Spreading": [[36, null], [85, null]], "Multi-State Steric Mass Action": [[37, null], [86, null]], "Multichannel Transport model (MCT model)": [[65, null], [104, null]], "Multiple particle types": [[26, "multiple-particle-types"], [50, "multiple-particle-types"], [99, "multiple-particle-types"]], "Networks of unit operations": [[93, null]], "Non-binding components": [[26, "non-binding-components"]], "Nonlinear solver for consistent initialization": [[42, null]], "Notation and identifiers": [[46, "notation-and-identifiers"]], "Note on DG solution vector": [[56, "note-on-dg-solution-vector"]], "Numerical reference tests": [[7, "numerical-reference-tests"]], "Ongoing Development": [[19, "ongoing-development"]], "Optional:  clink": [[15, "optional-clink"]], "Options": [[1, "options"]], "Order of convergence": [[56, "order-of-convergence"]], "Ordering of multi dimensional data": [[46, "ordering-of-multi-dimensional-data"]], "Outlet": [[66, null], [105, null]], "Outlet Model": [[3, "outlet-model"]], "Output Group": [[48, null]], "Parameter Dependencies": [[49, null]], "Parameter Sensitivities": [[54, null]], "Parameter sensitivities": [[107, "parameter-sensitivities"]], "Parameter-Parameter Dependencies": [[49, "parameter-parameter-dependencies"]], "Parameter-State Dependencies": [[49, "parameter-state-dependencies"]], "Particle Geometry": [[99, "particle-geometry"]], "Prepare CADET code": [[15, "prepare-cadet-code"]], "Prerequisites": [[13, "prerequisites"], [14, "prerequisites"], [15, "prerequisites"]], "Process properties": [[18, "process-properties"]], "Radial Flow Models": [[67, null]], "Radial flow GRM": [[99, "radial-flow-grm"]], "Radial flow LRM": [[103, "radial-flow-lrm"]], "Radial flow LRMP": [[102, "radial-flow-lrmp"]], "Reaction models": [[50, null], [94, null]], "Recommendations on DG discretization parameters": [[56, "recommendations-on-dg-discretization-parameters"]], "Recommendations on the choice of spatial discretization methods": [[56, "recommendations-on-the-choice-of-spatial-discretization-methods"]], "Reference concentrations": [[75, "reference-concentrations"]], "Refinement strategy": [[56, "refinement-strategy"]], "Residence time distributions": [[12, null]], "Return data": [[53, null]], "Run the tests": [[7, "run-the-tests"]], "Saska": [[38, null], [87, null]], "Section dependent datasets in the 1D unit operation models (/input/model/unit_XXX group)": [[46, "id6"]], "Section dependent model parameters": [[46, "section-dependent-model-parameters"]], "Self Association": [[39, null], [88, null]], "Setting up the Discretization": [[3, "setting-up-the-discretization"]], "Setup": [[107, "setup"]], "Simplified Multi-State Steric Mass Action": [[40, null], [89, null]], "Simulation": [[107, null]], "Size exclusion chromatography": [[99, "size-exclusion-chromatography"]], "Smooth solutions": [[56, "smooth-solutions"]], "Software Architecture": [[2, null]], "Solution of the linear systems": [[93, "solution-of-the-linear-systems"]], "Solver Configuration": [[55, null]], "Spatial discretization - Numerical Methods": [[60, "spatial-discretization-numerical-methods"], [63, "spatial-discretization-numerical-methods"], [64, "spatial-discretization-numerical-methods"]], "Spatial discretization methods": [[56, null]], "Specification of flow rate / velocity and direction": [[97, "specification-of-flow-rate-velocity-and-direction"], [99, "specification-of-flow-rate-velocity-and-direction"]], "Specification of network connections": [[93, "specification-of-network-connections"]], "Steric Mass Action": [[41, null], [90, null]], "Supported features of the different binding models": [[75, "id3"]], "Supported features of the different unit operations models": [[100, "id2"]], "System Connectivity": [[3, "system-connectivity"], [18, "system-connectivity"]], "System of unit operations": [[57, null]], "Test build results": [[15, "test-build-results"]], "Testing and Publication": [[6, "testing-and-publication"]], "Time Sections": [[3, "time-sections"]], "Time section specification": [[107, "time-section-specification"]], "Time sections and transitions": [[107, "time-sections-and-transitions"]], "Time stepping": [[107, "time-stepping"]], "Two Dimensional General rate model (GRM2D)": [[97, null]], "Two dimensional general rate model": [[58, null]], "Unit Operation": [[6, "unit-operation"]], "Unit Operation submodel assumption": [[2, "unit-operation-submodel-assumption"]], "Unit Operations": [[61, null]], "Unit operation models": [[100, null]], "Unit tests": [[7, "unit-tests"]], "Use-case: Lumped Rate Model without pores and linear kinetic binding": [[104, "use-case-lumped-rate-model-without-pores-and-linear-kinetic-binding"]], "Use-case: Tracer transport in plants": [[104, "use-case-tracer-transport-in-plants"]], "Valve switches": [[93, "valve-switches"]], "Variables and unknowns": [[99, "id7"]], "Visual Studio:": [[15, "visual-studio"]], "cmakeSettings.json": [[1, "cmakesettings-json"]]}, "docnames": ["README", "developer_guide/build_options", "developer_guide/cadet_core_architecture", "developer_guide/cadet_python", "developer_guide/debugging", "developer_guide/index", "developer_guide/model_expansion", "developer_guide/testing", "examples/batch_chromatography", "examples/index", "examples/load_wash_elute", "examples/reaction_cstr", "examples/rtd", "getting_started/build_linux", "getting_started/build_osx", "getting_started/build_windows", "getting_started/index", "getting_started/installation", "getting_started/tutorials/breakthrough", "index", "interface/binding/bi_steric_mass_action", "interface/binding/extended_mobile_phase_modulator_langmuir", "interface/binding/freundlich_ldf", "interface/binding/generalized_ion_exchange", "interface/binding/hic_constant_water_activity", "interface/binding/hic_water_on_hydrophobic_surfaces", "interface/binding/index", "interface/binding/linear", "interface/binding/mobile_phase_modulator_langmuir", "interface/binding/multi_component_anti_langmuir", "interface/binding/multi_component_bi_langmuir", "interface/binding/multi_component_bi_langmuir_ldf", "interface/binding/multi_component_colloidal", "interface/binding/multi_component_langmuir", "interface/binding/multi_component_langmuir_ldf", "interface/binding/multi_component_langmuir_ldf_liquid_phase", "interface/binding/multi_component_spreading", "interface/binding/multi_state_steric_mass_action", "interface/binding/saska", "interface/binding/self_association", "interface/binding/simplified_multi_state_steric_mass_action", "interface/binding/steric_mass_action", "interface/consistent_initialization", "interface/flux_reconstruction", "interface/index", "interface/input_group", "interface/introduction", "interface/meta_group", "interface/output_group", "interface/parameter_dependencies", "interface/reaction/index", "interface/reaction/mass_action_law", "interface/reaction/michaelis_menten_kinetics", "interface/return_data", "interface/sensitivities", "interface/solver", "interface/spatial_discretization_methods", "interface/system", "interface/unit_operations/2d_general_rate_model", "interface/unit_operations/cstr", "interface/unit_operations/general_rate_model", "interface/unit_operations/index", "interface/unit_operations/inlet", "interface/unit_operations/lumped_rate_model_with_pores", "interface/unit_operations/lumped_rate_model_without_pores", "interface/unit_operations/multi_channel_transport_model", "interface/unit_operations/outlet", "interface/unit_operations/radial_flow_models", "license", "modelling/binding/bi_steric_mass_action", "modelling/binding/extended_mobile_phase_modulator_langmuir", "modelling/binding/freundlich_ldf", "modelling/binding/generalized_ion_exchange", "modelling/binding/hic_constant_water_activity", "modelling/binding/hic_water_on_hydrophobic_surfaces", "modelling/binding/index", "modelling/binding/linear", "modelling/binding/mobile_phase_modulator_langmuir", "modelling/binding/multi_component_anti_langmuir", "modelling/binding/multi_component_bi_langmuir", "modelling/binding/multi_component_bi_langmuir_ldf", "modelling/binding/multi_component_colloidal", "modelling/binding/multi_component_langmuir", "modelling/binding/multi_component_langmuir_ldf", "modelling/binding/multi_component_langmuir_ldf_liquid_phase", "modelling/binding/multi_component_spreading", "modelling/binding/multi_state_steric_mass_action", "modelling/binding/saska", "modelling/binding/self_association", "modelling/binding/simplified_multi_state_steric_mass_action", "modelling/binding/steric_mass_action", "modelling/equations", "modelling/index", "modelling/networks", "modelling/reaction/index", "modelling/reaction/mass_action_law", "modelling/reaction/michaelis_menten_kinetics", "modelling/unit_operations/2d_general_rate_model", "modelling/unit_operations/cstr", "modelling/unit_operations/general_rate_model", "modelling/unit_operations/index", "modelling/unit_operations/inlet", "modelling/unit_operations/lumped_rate_model_with_pores", "modelling/unit_operations/lumped_rate_model_without_pores", "modelling/unit_operations/multi_channel_transport_model", "modelling/unit_operations/outlet", "requirements", "simulation/index", "zbibliography"], "envversion": {"sphinx": 63, "sphinx.domains.c": 3, "sphinx.domains.changeset": 1, "sphinx.domains.citation": 1, "sphinx.domains.cpp": 9, "sphinx.domains.index": 1, "sphinx.domains.javascript": 3, "sphinx.domains.math": 2, "sphinx.domains.python": 4, "sphinx.domains.rst": 2, "sphinx.domains.std": 2, "sphinx.ext.todo": 2, "sphinxcontrib.bibtex": 9}, "filenames": ["README.md", "developer_guide/build_options.rst", "developer_guide/cadet_core_architecture.rst", "developer_guide/cadet_python.rst", "developer_guide/debugging.rst", "developer_guide/index.rst", "developer_guide/model_expansion.rst", "developer_guide/testing.rst", "examples/batch_chromatography.rst", "examples/index.rst", "examples/load_wash_elute.rst", "examples/reaction_cstr.rst", "examples/rtd.rst", "getting_started/build_linux.rst", "getting_started/build_osx.rst", "getting_started/build_windows.rst", "getting_started/index.rst", "getting_started/installation.rst", "getting_started/tutorials/breakthrough.rst", "index.rst", "interface/binding/bi_steric_mass_action.rst", "interface/binding/extended_mobile_phase_modulator_langmuir.rst", "interface/binding/freundlich_ldf.rst", "interface/binding/generalized_ion_exchange.rst", "interface/binding/hic_constant_water_activity.rst", "interface/binding/hic_water_on_hydrophobic_surfaces.rst", "interface/binding/index.rst", "interface/binding/linear.rst", "interface/binding/mobile_phase_modulator_langmuir.rst", "interface/binding/multi_component_anti_langmuir.rst", "interface/binding/multi_component_bi_langmuir.rst", "interface/binding/multi_component_bi_langmuir_ldf.rst", "interface/binding/multi_component_colloidal.rst", "interface/binding/multi_component_langmuir.rst", "interface/binding/multi_component_langmuir_ldf.rst", "interface/binding/multi_component_langmuir_ldf_liquid_phase.rst", "interface/binding/multi_component_spreading.rst", "interface/binding/multi_state_steric_mass_action.rst", "interface/binding/saska.rst", "interface/binding/self_association.rst", "interface/binding/simplified_multi_state_steric_mass_action.rst", "interface/binding/steric_mass_action.rst", "interface/consistent_initialization.rst", "interface/flux_reconstruction.rst", "interface/index.rst", "interface/input_group.rst", "interface/introduction.rst", "interface/meta_group.rst", "interface/output_group.rst", "interface/parameter_dependencies.rst", "interface/reaction/index.rst", "interface/reaction/mass_action_law.rst", "interface/reaction/michaelis_menten_kinetics.rst", "interface/return_data.rst", "interface/sensitivities.rst", "interface/solver.rst", "interface/spatial_discretization_methods.rst", "interface/system.rst", "interface/unit_operations/2d_general_rate_model.rst", "interface/unit_operations/cstr.rst", "interface/unit_operations/general_rate_model.rst", "interface/unit_operations/index.rst", "interface/unit_operations/inlet.rst", "interface/unit_operations/lumped_rate_model_with_pores.rst", "interface/unit_operations/lumped_rate_model_without_pores.rst", "interface/unit_operations/multi_channel_transport_model.rst", "interface/unit_operations/outlet.rst", "interface/unit_operations/radial_flow_models.rst", "license.rst", "modelling/binding/bi_steric_mass_action.rst", "modelling/binding/extended_mobile_phase_modulator_langmuir.rst", "modelling/binding/freundlich_ldf.rst", "modelling/binding/generalized_ion_exchange.rst", "modelling/binding/hic_constant_water_activity.rst", "modelling/binding/hic_water_on_hydrophobic_surfaces.rst", "modelling/binding/index.rst", "modelling/binding/linear.rst", "modelling/binding/mobile_phase_modulator_langmuir.rst", "modelling/binding/multi_component_anti_langmuir.rst", "modelling/binding/multi_component_bi_langmuir.rst", "modelling/binding/multi_component_bi_langmuir_ldf.rst", "modelling/binding/multi_component_colloidal.rst", "modelling/binding/multi_component_langmuir.rst", "modelling/binding/multi_component_langmuir_ldf.rst", "modelling/binding/multi_component_langmuir_ldf_liquid_phase.rst", "modelling/binding/multi_component_spreading.rst", "modelling/binding/multi_state_steric_mass_action.rst", "modelling/binding/saska.rst", "modelling/binding/self_association.rst", "modelling/binding/simplified_multi_state_steric_mass_action.rst", "modelling/binding/steric_mass_action.rst", "modelling/equations.rst", "modelling/index.rst", "modelling/networks.rst", "modelling/reaction/index.rst", "modelling/reaction/mass_action_law.rst", "modelling/reaction/michaelis_menten_kinetics.rst", "modelling/unit_operations/2d_general_rate_model.rst", "modelling/unit_operations/cstr.rst", "modelling/unit_operations/general_rate_model.rst", "modelling/unit_operations/index.rst", "modelling/unit_operations/inlet.rst", "modelling/unit_operations/lumped_rate_model_with_pores.rst", "modelling/unit_operations/lumped_rate_model_without_pores.rst", "modelling/unit_operations/multi_channel_transport_model.rst", "modelling/unit_operations/outlet.rst", "requirements.txt", "simulation/index.rst", "zbibliography.rst"], "indexentries": {}, "objects": {}, "objnames": {}, "objtypes": {}, "terms": {"": [3, 6, 18, 19, 20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 47, 48, 52, 55, 56, 57, 58, 59, 60, 62, 63, 64, 65, 67, 68, 81, 90, 91, 93, 95, 96, 97, 98, 99, 102, 103, 104, 105, 107, 108], "0": [2, 4, 5, 6, 7, 13, 14, 18, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 47, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 63, 64, 65, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 93, 94, 95, 96, 97, 98, 99, 101, 102, 103, 104, 107, 108], "00008": 108, "0001": 42, "00050": 108, "0009": 108, "0009250953800011": 108, "004": 108, "01": [3, 42, 108], "014": 18, "01496399208019442": 108, "02": 18, "023": 108, "0288": 108, "040000": 47, "045": 108, "050": 108, "06": 108, "07": 108, "08": 108, "082": 108, "085": 108, "09": 108, "0e": 3, "1": [2, 4, 5, 6, 7, 19, 20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 46, 48, 49, 53, 54, 55, 56, 57, 58, 59, 60, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 93, 94, 95, 97, 99, 100, 101, 102, 103, 104, 107, 108], "10": [3, 18, 46, 55, 57, 68, 81, 104, 107, 108], "100": [3, 18], "1000": 18, "10000": 3, "1000000": 3, "1001": 3, "1002": 108, "1007": 108, "1016": 108, "1021": 108, "1055": 108, "1080": 108, "1089014": 108, "1089020": 108, "11": [46, 68, 71, 97, 99, 108], "113": 19, "1145": 108, "1167": 108, "1180": 19, "1191": 19, "12": [13, 14, 65, 68, 71, 85, 97, 104, 108], "1200": 3, "1216": 108, "1244": 108, "1262": 108, "13": [19, 46, 68, 72, 108], "131": 108, "1365": 108, "139": [19, 108], "14": [68, 71, 72, 88, 108], "142": 108, "1465": 108, "15": [15, 68, 73, 108], "151": 108, "152": [19, 108], "16": [3, 68, 74, 108], "1600336": 108, "161": 108, "1617": 108, "162": [19, 108], "1679": 108, "17": [15, 68, 77, 97, 108], "1711": 108, "1732": 108, "175": 108, "17825832": 108, "18": [13, 14, 77, 108], "180": 108, "183": 108, "19": [81, 97, 108], "190": 108, "1916": 108, "1953": 108, "1965": 108, "1968": 108, "1969": 108, "1978": 108, "1989": 108, "1992": 108, "1995": 108, "1996": [68, 108], "1997": 108, "1d": 48, "1e": [3, 7, 71], "1e6": 3, "1k": 104, "1n": [65, 104], "2": [2, 4, 5, 6, 7, 18, 21, 23, 26, 32, 37, 38, 43, 46, 48, 50, 53, 56, 57, 58, 59, 60, 62, 63, 64, 65, 67, 68, 71, 72, 75, 81, 85, 88, 89, 93, 94, 97, 99, 101, 102, 103, 104, 108], "20": [3, 6, 68, 82, 97, 108], "200": 3, "2004": 108, "2005": 108, "2006": 108, "2007": [68, 108], "2008": 108, "200800082": 108, "2009": 108, "2010": 19, "201000560": 108, "2012": 108, "2013": [19, 108], "2014": 108, "2015": 108, "2016": [19, 74, 108], "201600336": 108, "2017": 108, "2018": 19, "2019": 108, "2020": 108, "2022": [15, 108], "21": [65, 85, 87, 104, 108], "22": [88, 93, 108], "2221": 108, "2295": 108, "23": [81, 90, 93, 108], "237": 108, "24": [93, 107, 108], "248": 108, "25": [57, 107, 108], "2509": 108, "26": [107, 108], "264193": 108, "264573": 108, "27": 108, "274": 19, "28": 68, "29": [68, 108], "294": 19, "2d": [1, 3, 48], "2nd": [56, 108], "2r": 81, "3": [2, 5, 6, 7, 13, 14, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 43, 46, 48, 50, 56, 57, 58, 59, 60, 62, 63, 64, 65, 68, 75, 76, 79, 81, 82, 89, 93, 94, 97, 99, 101, 102, 103, 107, 108], "30": [6, 15, 68], "31": 108, "32": 3, "33": 3, "34": [19, 108], "341": 108, "343": 108, "35": 108, "363": 108, "36f": 55, "37": [3, 18], "370537": 108, "38": 108, "39": 108, "396": 108, "4": [5, 6, 7, 46, 47, 55, 56, 57, 58, 60, 63, 64, 68, 81, 99, 102, 103, 107, 108], "40000": 3, "41": 108, "41f": [57, 58, 60, 63], "42": 108, "450": 108, "46": 19, "460479": 108, "463408": 108, "469": 108, "4b34e0d5": 2, "5": [3, 18, 43, 46, 55, 56, 57, 58, 60, 63, 64, 68, 99, 107, 108], "500": 55, "53": 108, "54": 108, "56": 19, "57": 19, "5e": 18, "6": [3, 18, 38, 39, 56, 60, 68, 81, 99, 104, 108], "60": [3, 68, 108], "6177": 108, "6195": 108, "642": 108, "683738370512285e": 18, "690140613": 108, "690381212": 108, "690420507": 108, "6b": 68, "6d": 68, "7": [6, 13, 14, 55, 57, 58, 60, 63, 65, 68, 99, 104, 108], "70": 108, "71": 108, "75": 18, "75e": 18, "78": 108, "79541": 108, "79543": 108, "7e": 18, "8": [3, 7, 18, 19, 57, 68, 99, 102, 103, 104, 107, 108], "80001": 108, "801406": 108, "840314": 2, "864": 108, "874": 108, "886": 108, "895": 108, "8b05873": 108, "9": [13, 14, 68, 104, 107, 108], "919": 108, "927": 108, "9274": 108, "96437": 108, "9673": 108, "97": 108, "978": 108, "99457": 108, "9e": 18, "A": [3, 6, 7, 15, 17, 18, 19, 56, 57, 58, 60, 63, 68, 70, 74, 75, 76, 77, 81, 85, 86, 93, 94, 97, 99, 100, 101, 104, 105, 107, 108], "AND": 68, "AS": 68, "And": [15, 68], "As": [3, 56, 102, 107], "At": [15, 21, 44, 107], "BE": 68, "BEING": 68, "BUT": 68, "BY": 68, "But": 68, "By": [1, 6, 46, 68, 75, 93, 94, 99, 102, 103], "FOR": 68, "For": [1, 2, 3, 5, 6, 15, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 33, 34, 35, 36, 37, 38, 39, 40, 41, 46, 50, 56, 57, 58, 59, 60, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 92, 94, 95, 97, 99, 101, 102, 103, 104, 105, 107], "IF": 68, "IN": 68, "If": [1, 2, 3, 4, 5, 6, 7, 13, 14, 15, 17, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 46, 48, 50, 52, 56, 57, 58, 59, 60, 63, 67, 68, 93, 96, 98, 99, 104, 107], "In": [2, 3, 6, 18, 26, 44, 47, 50, 56, 58, 60, 63, 65, 67, 68, 70, 72, 75, 78, 81, 85, 86, 87, 90, 93, 95, 96, 99, 104, 105, 107, 108], "It": [1, 2, 3, 17, 46, 56, 68, 80, 83, 84, 88, 99, 107], "NO": 68, "NOT": 68, "No": [68, 71], "Not": 68, "OF": 68, "ON": [7, 15], "OR": 68, "Of": [3, 68], "On": [3, 101, 107], "One": 71, "Or": 19, "SUCH": 68, "Such": [68, 93], "THE": 68, "THERE": 68, "TO": 68, "That": [56, 93, 97, 99, 102, 103, 104], "The": [0, 1, 2, 3, 6, 7, 15, 17, 18, 19, 23, 26, 37, 39, 40, 41, 44, 46, 49, 50, 52, 56, 57, 58, 59, 60, 63, 64, 65, 67, 68, 69, 70, 71, 72, 75, 77, 78, 79, 81, 82, 85, 86, 87, 88, 89, 90, 93, 94, 95, 97, 98, 99, 101, 102, 103, 104, 105, 107, 108], "Their": 2, "Then": [0, 3, 6, 18, 46, 56], "There": [3, 6, 93, 104], "These": [3, 7, 18, 68, 93, 95, 97, 107], "To": [0, 2, 3, 4, 6, 7, 17, 18, 19, 68, 71, 104], "WILL": 68, "WITH": 68, "With": 93, "_": [2, 7, 37, 48, 58, 59, 60, 62, 63, 64, 67, 69, 70, 75, 81, 86, 89, 93, 95, 99, 101, 107], "_0": [72, 75, 86, 88, 90, 107], "_1": 104, "_a": 107, "_bindingmodel": 6, "_c": [99, 102, 103], "_d": 107, "_i": [58, 60, 63, 71], "_n": [2, 104], "_port_xyz_": 53, "a_": 101, "a_1": 104, "a_2": 104, "a_k": 104, "a_l": 104, "a_n": 104, "aachen": 2, "ab": 108, "abil": 68, "abort": 107, "about": [3, 68, 92], "abov": [2, 6, 68, 75, 89, 93, 99, 104], "abraham": 108, "absenc": [56, 68], "absolut": [7, 49, 54, 55, 58, 68, 107], "abstol": [3, 54, 55, 107], "abstract": 2, "abus": 68, "ac": 108, "academ": 108, "acc": [99, 102], "acceler": [14, 107], "accept": [7, 68], "access": [2, 17, 58, 60, 63, 68, 99], "accompani": 68, "accord": [2, 17, 56, 68, 104], "accordingli": [6, 67, 103, 104], "account": [26, 50, 75, 82, 87, 90, 93, 94, 97, 99, 104, 107], "accur": [19, 56, 60, 63, 64, 107], "accuraci": [7, 56, 58, 60, 63, 64], "achiev": [60, 63, 64, 68, 75, 95], "acknowledg": 68, "acm": 108, "acquir": 68, "across": 68, "act": [75, 93, 95, 100], "action": [0, 26, 44, 45, 50, 68, 72, 75, 88, 94, 108], "activ": [1, 6, 19, 26, 45, 57, 68, 75, 93, 95, 108], "actual": [1, 3, 6, 17, 18, 56, 68, 75, 99], "acycl": [57, 93], "ad": [1, 2, 3, 5, 6, 19, 44, 53, 56, 68, 74, 75, 77, 85, 86, 87, 88, 91, 97, 98, 99, 102, 103, 104, 105, 107], "ad1": 54, "adapt": [2, 3, 7, 68, 75, 94], "add": [1, 2, 3, 4, 6, 7, 17, 18, 68, 69, 79, 85, 86, 104, 107], "add_compon": 18, "add_connect": 18, "add_execut": 7, "add_unit": 18, "addict": 3, "addit": [1, 2, 3, 6, 67, 68, 69, 72, 79, 81, 86, 87, 89, 90, 93, 96, 98, 99, 102, 103], "addition": [1, 2, 6, 7, 56, 67, 97], "address": [57, 68, 71], "adequatli": [6, 7], "adher": 5, "adjac": 89, "adjust": [6, 56, 81, 93, 104], "admin": 15, "adopt": 68, "adsorb": [81, 86, 108], "adsorpt": [6, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 72, 75, 81, 88, 91, 98, 99, 102, 103, 104, 108], "adsorption_000": 26, "adsorption_model": [3, 20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 58, 59, 60, 63, 64], "adsorption_model_multiplex": [58, 60, 63], "adsorption_particl": 50, "adsorption_r": 18, "adsorption_yyi": 26, "advect": 3, "advers": 68, "advic": [4, 56], "advis": 68, "affect": [68, 107], "affero": 68, "affin": 60, "affirm": 68, "aforement": 6, "after": [7, 56, 68, 107], "again": [6, 56, 93, 107], "against": 68, "aggreg": 68, "agnost": 104, "agre": 68, "agreement": [68, 81], "aic": 108, "aich": 108, "aid": 99, "aim": 68, "al": [6, 74, 104], "alan": 108, "algebra": [19, 107, 108], "algorithm": [2, 5, 19, 54, 57, 58, 59, 60, 63, 64, 65, 75, 95, 108], "algtol": [3, 55, 107], "align": [26, 49, 50, 56, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 93, 94, 95, 96, 97, 98, 99, 101, 102, 103, 104, 107], "all": [0, 1, 2, 3, 5, 6, 7, 14, 15, 17, 18, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 46, 48, 49, 50, 51, 53, 55, 57, 58, 59, 60, 63, 65, 67, 68, 69, 75, 79, 82, 85, 86, 89, 92, 93, 94, 97, 98, 99, 102, 103, 104, 107], "alleg": 68, "allevi": 107, "alloc": [6, 107], "allow": [1, 2, 3, 18, 21, 56, 68, 69, 70, 79, 85, 86, 87, 89, 93, 97, 99, 104, 107, 108], "almost": 3, "along": [58, 68, 97], "alpha": 6, "alpha_": 107, "alpha_0": 71, "alpha_1": [71, 107], "alpha_2": 71, "alpha_i": 107, "alpha_n": 107, "alreadi": [6, 7, 56, 68, 88], "also": [2, 3, 6, 7, 14, 16, 26, 43, 44, 46, 50, 56, 58, 60, 63, 64, 65, 67, 68, 70, 71, 75, 80, 81, 83, 84, 88, 90, 99, 102, 104, 105, 107], "altern": [4, 58, 68], "alterni": 75, "although": [3, 68], "alwai": [3, 13, 14, 15, 19, 56, 57, 58, 65, 75, 93, 97, 107], "american": 108, "among": [68, 92], "amount": [3, 75, 107], "amsterdam": 108, "an": [1, 2, 3, 4, 5, 6, 7, 17, 18, 46, 56, 57, 58, 60, 63, 68, 69, 70, 71, 75, 79, 87, 93, 94, 99, 101, 107, 108], "anaconda": 17, "analysi": [19, 107, 108], "analyt": [1, 6, 7, 58, 59, 60, 64, 65, 76, 107], "ancillari": 68, "ander": 108, "andersson": 19, "andrea": 108, "anh": 108, "ani": [0, 3, 5, 19, 26, 32, 47, 50, 56, 58, 60, 63, 68, 71, 93, 98, 99, 104, 105], "anita": 108, "anoth": [3, 18, 72, 85, 93], "ansatz": 107, "anti": [26, 45, 68, 75], "antibodi": 108, "anyon": 68, "anyth": 68, "api": [3, 17, 18, 19], "appear": [56, 75], "append": [3, 58, 60, 93], "appli": [3, 6, 18, 49, 56, 67, 68, 75, 94, 98, 99, 102, 103, 108], "applic": [19, 56, 68, 99, 105, 108], "appreci": 19, "approach": [2, 56, 75, 96, 107], "appropri": [46, 68, 75, 93, 94, 107], "approx": 7, "approxim": [32, 56, 60, 63, 64, 68, 71, 75, 97], "apt": 13, "aqueou": 108, "ar": [1, 2, 3, 6, 7, 13, 14, 15, 18, 19, 23, 26, 41, 42, 44, 46, 48, 49, 50, 53, 54, 55, 56, 57, 58, 60, 63, 64, 65, 67, 68, 69, 70, 71, 72, 73, 74, 75, 79, 81, 85, 86, 89, 90, 93, 94, 95, 96, 97, 98, 99, 100, 102, 103, 104, 105, 107], "arbitari": [3, 18], "arbitrari": [2, 3, 19, 55, 56, 57, 69, 79, 97, 101, 104], "arbitrarili": 107, "architectur": [1, 5], "area": [2, 58, 60, 63, 64, 65, 67, 68, 81, 99, 104], "areleas": 15, "arg": 4, "argument": [1, 6, 18], "aris": [68, 104, 107], "arithmet": 56, "around": [56, 78, 99, 102], "arrai": [46, 48, 58, 93, 107], "arrang": [68, 81], "art": 19, "articl": [68, 108], "artifici": 56, "arxiv": 108, "ascend": 58, "ashok": 108, "ask": 68, "asp": 108, "aspect": 107, "assert": 68, "asset": 68, "assign": [46, 75, 94], "associ": [26, 45, 56, 68, 75, 108], "assum": [13, 14, 15, 44, 60, 68, 73, 74, 75, 81, 93, 97, 98, 99, 107], "assumpt": [3, 18, 68, 89, 95, 97, 99, 102, 103, 107], "assur": 68, "asymmetr": 108, "asymptot": 56, "atrn_err": 42, "atrn_r": 42, "attach": [68, 93], "attempt": 68, "attila": 108, "attribut": [3, 18, 68], "aumeier": 108, "author": [68, 75], "autodiff": 6, "automat": [0, 17, 18, 57, 68, 107], "avail": [1, 2, 3, 7, 13, 14, 17, 18, 23, 37, 39, 40, 41, 42, 49, 51, 54, 58, 65, 67, 68, 69, 75, 86, 88, 90, 100, 107], "availab": 75, "averag": [56, 75], "avogadro": 81, "avoid": [68, 105, 107], "awai": 68, "ax": [2, 43, 58, 97, 99, 102, 103, 104], "axelsson": 108, "axial": [3, 48, 56, 57, 58, 60, 63, 64, 65, 67, 75, 94, 97, 99, 102, 103, 104], "axial_coordin": 48, "axial_dispers": 18, "b": [0, 3, 6, 32, 49, 68, 81, 85, 108], "b978": 108, "b978012801406600008x": 108, "b_": [32, 81, 101], "background": 5, "backward": [51, 58, 65, 107], "bad": 56, "balanc": [93, 99, 102, 103], "band": [58, 65, 99, 102, 103], "bar": [15, 69, 72, 75, 86, 88, 90], "barrier": 56, "barton": 108, "base": [2, 3, 18, 23, 26, 49, 50, 56, 57, 60, 65, 68, 71, 72, 74, 75, 80, 81, 83, 84, 94, 95, 104, 107, 108], "basic": [2, 68, 98], "batch": [9, 98], "bayesian": 108, "bdf": [2, 107], "bead": [46, 53, 58, 59, 60, 63, 64, 69, 75, 77, 86, 90, 95, 99, 102, 103, 104], "becaus": [3, 4, 15, 18, 68, 81, 107], "becom": [3, 6, 17, 56, 60, 81, 93, 107], "bed": 108, "bed_poros": 18, "been": [6, 68, 69, 79, 107], "befor": [3, 6, 93, 97, 107], "begin": [7, 26, 48, 49, 50, 56, 57, 65, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 93, 94, 95, 96, 97, 98, 99, 101, 102, 103, 104, 107], "behalf": 68, "behav": 55, "behavior": [58, 60, 63, 64, 65, 75, 81, 98, 99, 108], "behaviour": 56, "being": [1, 4, 7, 68, 75, 94, 99, 102, 103, 104], "believ": 68, "below": [13, 14, 15, 26, 50, 68, 71, 81, 98, 104, 107], "benchmark": 1, "benedikt": 108, "benefit": [15, 68, 107], "berlin": 108, "bernt": 108, "besid": 2, "best": [5, 7, 19, 58, 65, 68, 93], "beta": [21, 28, 73, 74, 77], "beta_0": [73, 74], "beta_1": [73, 74], "beta_c": [99, 102], "beta_i": [70, 77], "beta_t": 103, "better": [5, 15, 19, 56, 57, 58, 60, 63], "between": [2, 3, 7, 18, 37, 56, 57, 58, 60, 63, 68, 69, 71, 79, 85, 86, 89, 93, 104, 107], "beyond": 68, "bi": [26, 45, 75, 85], "bi_steric_mass_act": 20, "bibtex": 106, "biggl": 81, "biggr": 81, "bigl": 81, "bigr": 81, "bin": [3, 4, 15], "binari": [15, 16, 108], "bind": [2, 3, 5, 17, 18, 20, 21, 23, 24, 25, 37, 39, 40, 41, 44, 45, 46, 56, 58, 59, 60, 63, 64, 69, 70, 71, 72, 73, 74, 76, 78, 79, 81, 82, 85, 86, 87, 88, 90, 92, 98, 99, 102, 103, 107], "binding_model": 18, "bindingmodelfactori": 6, "bio": 19, "biolog": 104, "biologi": 108, "biopolym": 108, "biot": 108, "biotechnologi": 108, "biphas": 104, "bisma_ka": 20, "bisma_kd": 20, "bisma_lambda": 20, "bisma_nu": 20, "bisma_refc0": 20, "bisma_refq": 20, "bisma_sigma": 20, "bla": 1, "black": 2, "block": [7, 15, 58, 65, 98], "bmatrix": [65, 104], "bnd": [95, 98, 99, 103], "bodi": 68, "boldsymbol": 104, "boston": 108, "both": [1, 3, 6, 46, 48, 56, 57, 58, 60, 63, 64, 67, 68, 75, 85, 93, 95, 99, 101, 102, 103], "bound": [3, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 46, 54, 58, 59, 60, 63, 64, 70, 73, 74, 75, 77, 81, 85, 86, 88, 90, 95, 98, 99, 103, 107], "boundari": [3, 18, 43, 56, 58, 60, 97, 99, 102, 103, 104], "boundary_model": [3, 43], "box": [2, 68], "bracket": 7, "branch": [0, 6, 7, 47], "break": [7, 19, 57], "breakpoint": [1, 4], "breakthrough": [3, 18], "breviti": [26, 50, 104], "brew": 14, "brief": [56, 68], "briefli": 2, "broaden": [99, 102, 103], "broberg": 108, "broken": 7, "brook": 108, "brown": 108, "browser": 0, "budd": 108, "budget": 107, "build": [0, 2, 3, 4, 5, 6, 7, 16, 17, 18, 19, 98], "build_shared_lib": 7, "builder": 17, "buildsystem": 15, "built": [3, 16, 18, 47], "bulk": [3, 46, 48, 51, 53, 58, 59, 60, 63, 64, 65, 75, 99, 102, 103], "burkhard": 108, "busi": 68, "buyel": [73, 108], "bwd": 95, "b\u00fchler": [104, 108], "c": [2, 3, 6, 13, 14, 15, 17, 18, 19, 32, 53, 58, 60, 68, 71, 75, 80, 81, 83, 84, 91, 95, 97, 98, 99, 101, 102, 103, 104, 108], "c1": 108, "c18": 108, "c_": [32, 52, 60, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 81, 82, 85, 86, 87, 88, 90, 93, 96, 97, 99, 102, 103, 104], "c_0": [73, 74, 75], "c_i": [75, 80, 83, 84, 98, 99, 101], "c_j": [83, 91, 98, 99, 102], "c_k": 80, "c_p": 71, "cadet": [2, 5, 6, 16, 44, 46, 47, 56, 60, 63, 64, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 92, 93, 94, 104, 107], "cadet_branch": 47, "cadet_commit": 47, "cadet_path": 3, "cadet_vers": 47, "cadetframework": 15, "cadetprocess": 18, "calcul": [6, 51, 60, 63, 64, 90, 93, 95, 99, 107], "call": [2, 3, 6, 7, 17, 43, 68, 107], "can": [0, 1, 2, 3, 4, 5, 6, 7, 13, 14, 15, 17, 18, 19, 26, 32, 44, 46, 49, 50, 56, 57, 58, 60, 63, 67, 68, 69, 70, 71, 75, 77, 81, 85, 86, 89, 93, 94, 95, 97, 98, 99, 101, 102, 103, 104, 105, 107], "cannot": [46, 68, 99], "cap": 99, "capabl": [1, 5, 88], "capac": [18, 20, 21, 23, 24, 25, 28, 29, 30, 31, 33, 34, 35, 36, 37, 39, 40, 41, 69, 75, 79, 82, 90, 99], "capit": 2, "captur": [56, 81, 107], "carefulli": 7, "carol": 108, "carri": 68, "case": [1, 3, 6, 7, 15, 18, 26, 50, 58, 59, 60, 63, 65, 68, 70, 71, 78, 81, 89, 93, 96, 97, 99, 105, 107], "caus": [3, 26, 50, 56, 68, 75, 99, 102, 103], "cd": 15, "cdot": [3, 20, 30, 31, 32, 48, 49, 51, 52, 57, 58, 59, 60, 63, 64, 65, 81, 97, 99], "ce": 108, "ceas": 68, "ceat": 108, "cell": [3, 56, 58, 60, 63, 65, 99, 107], "cellsel": [60, 63, 64], "center": 97, "certain": [2, 46, 56, 68, 75, 105], "cessat": 68, "cfm": 108, "chain": 107, "challeng": 108, "chang": [0, 1, 3, 6, 7, 13, 14, 15, 18, 19, 24, 25, 44, 46, 55, 56, 67, 68, 71, 75, 93, 94, 95, 99, 104, 107], "channel": [17, 19, 65, 104], "channel_cross_section_area": 65, "chapter": [2, 3, 18, 46, 107, 108], "character": [56, 68, 81, 99], "characterist": [20, 21, 23, 28, 37, 39, 40, 41, 72, 77, 89, 90], "charg": [20, 23, 37, 39, 40, 41, 68, 72, 89, 90], "chart": 104, "check": [3, 17, 107], "checkout": 7, "chemic": [9, 19, 58, 59, 60, 62, 63, 64, 65, 66, 95, 104, 108], "choic": [44, 45, 60, 63, 64, 75], "choos": [3, 68, 75], "chosen": [6, 57, 60, 63, 64, 93, 104, 107], "chroma": 108, "chromatogram": [19, 53, 78, 97, 99, 108], "chromatograph": [58, 59, 60, 62, 63, 64, 65, 66, 107, 108], "chromatographi": [9, 19, 56, 77, 81, 90, 102, 104, 108], "chromatographia": 108, "ci": 7, "circumst": 68, "circumv": 99, "circumvent": 68, "citat": 108, "civil": 68, "claim": 68, "clang": [13, 14], "clark": 108, "class": [2, 3, 18, 68, 75, 104, 108], "classic": [57, 58, 60, 63], "clayton": 108, "clean": 6, "clear": 68, "clearli": 68, "cli": [1, 2, 3, 4, 15], "click": 15, "clock": 56, "clone": [7, 13, 14, 15], "close": [68, 93, 107], "closest": 7, "cmake": [1, 6, 13, 14, 15], "cmake_source_dir": 6, "cmakecommandarg": 7, "cmakelist": [4, 6, 7], "cmakeset": [5, 7], "cmd": 15, "coars": 56, "cocentr": 71, "code": [1, 4, 6, 7, 13, 14, 56, 68], "coeffici": [3, 22, 23, 29, 31, 34, 35, 38, 40, 57, 58, 60, 62, 63, 64, 65, 67, 75, 93, 97, 99, 104, 107, 108], "coffici": 3, "col_bpp_ph_exp": 32, "col_bpp_salt_expargmult": 32, "col_bpp_salt_expfact": 32, "col_bpp_salt_powex": 32, "col_bpp_salt_powfact": 32, "col_cordnum": 32, "col_dispers": [3, 46, 58, 60, 63, 64, 65, 67], "col_dispersion_dep": 49, "col_dispersion_dep_ab": 49, "col_dispersion_dep_bas": 49, "col_dispersion_dep_expon": 49, "col_dispersion_multiplex": [58, 60, 63, 64, 65, 67], "col_dispersion_radi": 58, "col_dispersion_radial_multiplex": 58, "col_kappa_const": 32, "col_kappa_exp": 32, "col_kappa_fact": 32, "col_kkin": 32, "col_length": [3, 58, 60, 63, 64, 65, 67], "col_linear_threshold": 32, "col_logkeq_ph_exp": 32, "col_logkeq_salt_expargmult": 32, "col_logkeq_salt_expfac": 32, "col_logkeq_salt_powexp": 32, "col_logkeq_salt_powfac": 32, "col_phi": 32, "col_poros": [3, 58, 60, 63], "col_protein_radiu": 32, "col_radiu": 58, "col_radius_inn": 67, "col_radius_out": 67, "col_use_ph": 32, "colin": 108, "collabor": 5, "collect": [68, 93, 99], "colloc": 56, "colloid": [26, 45, 60, 75], "colon": [2, 75, 94, 97, 99, 102, 103], "colpo": 6, "column": [2, 3, 19, 26, 46, 48, 49, 50, 56, 57, 58, 60, 63, 64, 65, 67, 93, 97, 99, 102, 103, 104], "column_radiu": 58, "columnposit": 6, "com": [0, 13, 14, 15, 19, 108], "combin": [54, 58, 60, 63, 64, 68, 93, 98, 107], "come": 68, "comma": 107, "command": [1, 2, 7, 68], "comment": 6, "commerci": 68, "commit": [2, 19, 47, 68], "common": [2, 56, 68, 101], "commonli": 94, "commun": [15, 68], "comp": [69, 70, 71, 72, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 93, 95, 99], "comp0bnd0": 46, "comp0bnd1": 46, "comp0bnd2": 46, "comp1bnd0": 46, "comp1bnd1": 46, "comp1bnd2": 46, "companion": 107, "compar": [1, 3, 7], "comparison": [56, 72, 75, 100, 108], "compart": [58, 65, 104], "compartment": 108, "compat": 2, "compens": [69, 86, 90], "compet": 82, "competit": [56, 69, 75, 79, 85, 86], "compil": [1, 14, 15, 17, 58, 65, 68], "complement": [2, 67, 99, 102, 103, 104], "complet": [3, 15, 16, 92, 103], "complex": [56, 108], "compli": 68, "complianc": 68, "complic": [93, 107], "compon": [2, 3, 6, 7, 18, 21, 22, 23, 27, 37, 40, 44, 45, 46, 48, 52, 53, 54, 56, 57, 58, 59, 60, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 77, 86, 87, 90, 91, 93, 95, 96, 98, 99, 101, 102, 103, 104, 107], "component_system": 18, "componentsystem": 18, "compos": 93, "composit": 42, "comprehens": [5, 19, 56, 99], "compris": [3, 18], "comput": [1, 2, 3, 6, 7, 19, 49, 54, 56, 58, 59, 60, 63, 64, 65, 68, 93, 104, 107, 108], "computation": [2, 56, 107], "con": 93, "concav": 78, "concentr": [2, 3, 18, 20, 23, 24, 25, 26, 32, 37, 39, 40, 41, 56, 58, 59, 60, 62, 63, 64, 65, 69, 72, 76, 77, 80, 81, 83, 84, 86, 88, 90, 91, 92, 95, 96, 98, 99, 101, 104], "concept": [44, 56, 69, 72, 86, 88, 90], "concern": 68, "concis": [6, 49], "conclud": 107, "conda": [17, 19], "condit": [58, 60, 68, 69, 86, 90, 97, 99, 102, 103, 104, 107], "confid": 6, "config": 7, "configur": [1, 3, 4, 6, 7, 15, 18, 44, 45, 58, 59, 60, 63, 64, 65, 67, 93, 94], "configuremodeldiscret": 6, "confirm": 15, "connect": [5, 44, 45, 68, 92, 99, 105, 107], "connection_cub": 57, "connection_lin": 57, "connection_quad": 57, "connections_include_dynamic_flow": 57, "connections_include_port": 57, "consequ": [68, 93, 99, 101, 107], "consequenti": 68, "conserv": 104, "consid": [3, 7, 32, 56, 68, 70, 71, 75, 77, 85, 95, 97, 99, 102, 103, 104, 107], "consider": 7, "consist": [2, 7, 17, 44, 45, 55, 58, 60, 63, 64, 65, 68, 93], "consistency_solv": [44, 45], "consistent_init_mod": 55, "consistent_init_mode_sen": 55, "conspicu": 68, "const": 6, "const_coeff": [3, 57, 62], "const_solid_volum": 59, "constant": [3, 18, 20, 21, 23, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 39, 40, 41, 45, 51, 52, 57, 58, 62, 71, 72, 81, 92, 94, 96, 97, 99, 104], "constantli": [3, 68], "constitut": [68, 108], "constru": 68, "construct": [1, 75, 94], "consult": 5, "consum": [68, 107], "contact": 68, "contain": [2, 3, 7, 26, 46, 50, 56, 65, 68, 93, 104, 107], "contant": 75, "content": 68, "context": [68, 104], "continu": [3, 6, 7, 15, 18, 44, 45, 55, 56, 61, 68, 97, 99, 100, 102, 103, 107, 108], "contractu": 68, "contradict": 68, "contrari": [57, 97, 107], "contrast": [68, 93], "contribut": [5, 6, 108], "contributor": [19, 68], "control": [3, 56, 57, 58, 60, 63, 68, 99, 107], "convect": [99, 102, 103], "convectiondispersionoper": 2, "convei": 68, "conveni": [17, 68], "convent": 46, "converg": [7, 44, 45, 55, 107], "convers": [37, 56], "convert": [2, 58, 65], "convex": 78, "convey": 68, "coordin": [32, 44, 53, 58, 60, 81, 97, 99, 102, 103], "copi": [3, 6, 7, 68], "copyleft": 68, "copyright": 68, "core": [1, 2, 3, 5, 6, 18, 26, 50, 58, 60, 99], "core_test": 7, "coredebug": 4, "correct": [4, 7, 68, 107], "correctli": 6, "correl": 75, "correspond": [2, 3, 4, 6, 7, 18, 26, 46, 52, 68, 75, 93, 95, 101, 105, 107], "cost": [68, 107], "costli": 3, "could": [2, 3, 18, 46, 68], "counter": 90, "counterclaim": 68, "counterion": [20, 23, 37, 39, 40, 41], "counterpart": 93, "countri": 68, "coupl": [19, 93, 104], "cours": [68, 107], "court": 68, "coven": 68, "cover": [68, 104], "coverag": [68, 81], "cp": 18, "cpp": [6, 7], "cpstatetyp": 6, "cpu": 3, "cramer": 108, "creat": [3, 5, 6, 7, 13, 14, 15, 18, 19, 46, 48, 53, 56, 92, 107], "createlw": 15, "criterion": 68, "cross": [2, 58, 60, 63, 64, 65, 67, 68, 97, 99, 104], "cross_section_area": [3, 58, 60, 63, 64, 67], "crucial": 56, "crude": 97, "crystal": 19, "csaba": 108, "cstr": [3, 18, 45, 61, 100], "cube_coeff": [3, 57, 62], "cubic": [2, 3, 18, 57, 62, 93, 101], "cure": 68, "current": [1, 2, 44, 46, 57, 67, 104, 107], "custom": [2, 6, 15, 17, 56, 68, 81], "customarili": 68, "cycl": [2, 93], "cycle_tim": 18, "cyclic": [18, 57], "cylind": [58, 60, 63, 99], "d": [3, 32, 60, 68, 69, 70, 72, 73, 74, 75, 76, 77, 78, 79, 81, 82, 85, 86, 87, 88, 90, 98, 104, 107, 108], "d_": [2, 43, 60, 97, 99, 101, 102, 103, 104], "d_1": 104, "d_j": [91, 97, 98, 99, 102], "d_n": 104, "dae": [2, 107], "dai": 68, "damag": 68, "damp": 42, "dan": 108, "danckwert": [97, 99, 102, 103, 104, 108], "dang": 108, "danger": 68, "data": [2, 3, 6, 7, 18, 19, 30, 31, 44, 45, 57, 60, 63, 68, 104, 107], "databas": 7, "dataset": [3, 26, 44, 50, 53, 75, 94], "date": 68, "david": 108, "dbla_vendor": [1, 13, 14, 15], "dc_p": 71, "dcmake_build_typ": 15, "dcmake_install_prefix": [1, 13, 14, 15], "dcmake_install_rpath_use_link_path": 1, "dcmake_toolchain_fil": 15, "ddot": [65, 104], "de": [2, 19], "dead": 93, "dean": 108, "debug": [1, 5, 7, 15], "debug_with_test": 1, "debugg": 4, "debuggu": 4, "deby": 81, "decai": 104, "decemb": [68, 108], "decid": [3, 18, 68], "declin": 68, "decompos": 107, "decomposit": [58, 65, 101], "decoupl": [75, 95], "decreas": 89, "dedic": 48, "deem": 68, "default": [1, 4, 6, 13, 17, 20, 23, 37, 39, 40, 41, 42, 44, 45, 47, 49, 51, 53, 55, 56, 57, 58, 59, 61, 93, 95, 97, 99, 102, 103], "defect": 68, "defens": 68, "defin": [2, 3, 6, 7, 18, 48, 49, 56, 57, 58, 60, 63, 64, 65, 68, 69, 70, 71, 72, 73, 74, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 92, 94, 96, 104, 107], "definit": [18, 68], "degerman": 108, "degrad": [75, 95], "degre": [46, 56, 60, 63, 64, 75, 89, 94], "deleg": 2, "delta": 107, "demo": 19, "demonstr": [3, 104], "denable_2d_model": 1, "denable_analytic_jacobian_check": 1, "denable_benchmark": 1, "denable_cadet_cli": 1, "denable_cadet_tool": 1, "denable_debug_thread": 1, "denable_dg": 1, "denable_ipo": 1, "denable_log": 1, "denable_packaged_sundi": 1, "denable_platform_tim": 1, "denable_static_link_cli": 1, "denable_static_link_dep": [1, 7, 15], "denable_static_link_lapack": [1, 7, 15], "denable_sundials_openmp": 1, "denable_test": [1, 7], "denable_thread": 1, "deni": 68, "denomin": [68, 93], "denot": [2, 3, 21, 26, 46, 50, 56, 69, 75, 77, 86, 90, 93, 94, 97, 98, 99, 103, 104, 107], "dens": [6, 58, 65], "densiti": [104, 108], "dep": 49, "depend": [0, 1, 2, 6, 7, 15, 17, 19, 21, 23, 40, 44, 45, 56, 58, 60, 63, 64, 65, 67, 72, 89, 92, 97, 98, 99, 107], "deploy": 56, "deprec": 2, "depriv": 68, "deriv": [2, 6, 26, 48, 50, 53, 56, 57, 58, 59, 60, 63, 64, 65, 71, 95, 104, 107], "describ": [2, 3, 6, 7, 18, 21, 24, 25, 28, 44, 67, 73, 77, 81, 88, 89, 93, 94, 98, 99, 102, 103, 104], "descript": [3, 6, 56, 67, 99], "deselect": 15, "design": [2, 7, 19, 44, 68, 107], "desir": 56, "desktop": 15, "desorpt": [3, 18, 20, 21, 23, 24, 25, 27, 28, 29, 30, 33, 36, 37, 39, 40, 41, 72, 75, 77, 104], "desorption_r": 18, "destin": [3, 65, 93], "detail": [3, 5, 6, 7, 16, 18, 44, 45, 46, 67, 68, 92], "detector": 19, "determin": [3, 6, 21, 53, 55, 56, 57, 58, 59, 60, 63, 64, 65, 68, 71, 78, 81, 90, 93, 97, 104, 107], "dev": [13, 14], "develop": [3, 7, 15, 68, 104], "deviat": [102, 103], "devic": 68, "dg": [1, 44, 45, 60, 63, 64], "di": 108, "diagol": 104, "diagon": 104, "diagram": 2, "diamet": [18, 99, 102, 103], "dict": 3, "dictionari": 3, "differ": [2, 3, 6, 20, 23, 26, 37, 40, 44, 46, 49, 50, 56, 58, 59, 60, 63, 64, 68, 69, 79, 85, 86, 91, 93, 94, 98, 99, 104, 107, 108], "differenti": [2, 5, 19, 54, 56, 58, 59, 60, 64, 65, 104, 107, 108], "diffus": [3, 18, 49, 58, 60, 63, 99, 100, 102, 104, 108], "digit": [47, 107], "dilut": [24, 25, 95], "dimens": [3, 48, 97, 104], "dimension": [30, 31, 44, 45, 61, 81, 100, 104], "dimer": 88, "direct": [3, 6, 18, 57, 58, 60, 63, 64, 65, 67, 68, 93, 102, 103, 104, 107, 108], "directli": [68, 75, 94, 95], "directori": [0, 6, 13, 14, 15], "disabl": [48, 58, 59, 60, 63, 99], "disclaim": 68, "discontin": 55, "discontinu": [3, 45, 55, 56, 61, 93, 101, 107], "discret": [2, 6, 44, 45, 48, 49, 53, 54, 61, 97, 99, 107], "discriminatori": 68, "discuss": 107, "disjoint": 97, "dispers": [49, 56, 58, 60, 63, 64, 65, 67, 78, 93, 97, 99, 100, 102, 103, 104, 107], "displac": 108, "displai": 68, "distanc": 108, "distinct": [26, 50, 67], "distinguish": [7, 68], "distribut": [9, 13, 68, 81, 97, 99, 102, 103, 104, 108], "distro": 13, "div": [99, 102, 103], "divers": 5, "divid": [46, 70, 75, 94, 97, 107], "dl": 108, "do": [3, 6, 7, 19, 26, 67, 68, 99, 107], "doc": [0, 14], "document": [2, 3, 5, 6, 18, 67, 68], "doe": [3, 4, 18, 44, 46, 52, 56, 68, 93, 96, 98, 107], "doesnt": 7, "dof": [48, 56], "doi": 108, "doid": 108, "domain": [56, 68, 99], "don": 75, "done": [6, 15, 93], "doning": 108, "dot": [2, 3, 6, 55, 57, 58, 60, 63, 64, 65, 69, 71, 72, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 93, 97, 99, 101, 104, 107], "doubl": [6, 15, 20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 47, 48, 49, 51, 52, 54, 55, 57, 58, 59, 60, 62, 63, 64, 65, 67, 99, 102, 103], "doubt": 68, "download": [3, 15, 17, 18], "downstream": [68, 93], "dpfr": 103, "dq": [71, 75, 81], "dr": 19, "draft": 5, "drastic": 3, "drive": [22, 31, 34, 35, 71, 80, 83, 84, 92, 104], "driver": 4, "dropdown": 7, "dt": [75, 81], "due": [2, 56, 71, 75, 90, 95, 97, 99, 104, 107], "durabl": 68, "durat": 18, "dure": [1, 3, 15, 60, 107], "duti": 98, "dvcpkg_target_triplet": [1, 15], "dwell": 68, "dynam": [1, 2, 3, 18, 68, 75, 92, 98, 99, 102, 103, 107], "e": [1, 2, 3, 4, 5, 6, 7, 17, 18, 19, 32, 46, 53, 56, 57, 58, 60, 63, 65, 67, 68, 70, 72, 73, 74, 75, 77, 81, 85, 86, 93, 94, 95, 97, 98, 99, 101, 102, 103, 104, 105, 107, 108], "e_": 104, "each": [2, 3, 7, 18, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 46, 50, 53, 55, 56, 58, 59, 60, 63, 64, 65, 68, 69, 75, 86, 90, 92, 93, 94, 97, 99, 101, 102, 103, 104, 107], "earli": 4, "earlier": [3, 68], "easi": [2, 7], "easiest": [6, 7, 15], "easili": [2, 93], "ecotoxicologi": 108, "edg": 93, "edit": [15, 108], "editor": 108, "educ": 3, "ef": [32, 81], "effect": [56, 58, 60, 68, 69, 75, 79, 85, 86, 94, 99], "effici": [2, 15, 19, 60, 108], "effort": 68, "eigen": 14, "either": [6, 13, 14, 15, 56, 58, 67, 68, 70, 77, 93, 107], "el": 108, "elabor": 104, "electro": [69, 90], "electron": 68, "electrostat": [81, 108], "element": [3, 56, 60, 104, 107], "ell": [86, 89, 91, 93, 95, 97, 98, 99, 102, 103, 104], "ell_": [98, 99, 104], "ell_i": [91, 97, 98, 99, 102, 103], "ell_l": 104, "els": 3, "elsevi": 108, "elsewher": 7, "elut": [3, 9, 46, 108], "embodi": 68, "emiss": 104, "emphas": [7, 67], "empir": 71, "emploi": [56, 76], "employ": 68, "empm_beta": 21, "empm_comp_mod": 21, "empm_gamma": 21, "empm_ka": 21, "empm_kd": 21, "empm_qmax": 21, "empti": [3, 18, 107], "enabl": [1, 6, 7, 48, 57, 58, 60, 63, 65, 68, 97, 107], "enable_dg": 6, "enable_grm_2d": 6, "encapsul": 2, "encompass": 7, "end": [2, 3, 6, 18, 26, 49, 50, 55, 56, 65, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 93, 94, 95, 96, 97, 98, 99, 101, 102, 103, 104, 107], "endpoint": [58, 60, 107], "enforc": 68, "engin": [5, 19, 56, 108], "enhanc": 56, "enough": [15, 56], "ensur": [6, 7, 18, 68, 104], "enter": [3, 18, 68, 99], "entir": 68, "entiti": [68, 75], "entri": [3, 6, 18, 26, 52, 93], "env": 15, "environment": 108, "enzym": 99, "eoc": [7, 56], "eoc_k": 56, "epsilon": [32, 71, 81], "eq": [75, 80, 83, 84, 93, 95, 97, 99, 102, 107], "equal": [3, 18], "equat": [2, 6, 19, 20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 33, 34, 35, 36, 37, 38, 39, 40, 41, 55, 56, 58, 59, 60, 62, 63, 64, 65, 66, 67, 69, 70, 75, 81, 85, 86, 88, 90, 95, 98, 99, 102, 103, 104, 107, 108], "equidist": 58, "equidistant_par": [3, 58, 60], "equilibria": 108, "equilibrium": [3, 18, 32, 71, 80, 81, 83, 84, 92, 95], "equillibrium": [31, 34, 35], "equip": [3, 18, 93, 97], "equiv": [99, 102, 103], "equival": [6, 68, 75], "equivolum": 58, "equivolume_par": [58, 60], "equlibrium": 75, "era": 108, "eric": [19, 108], "erron": 68, "error": [3, 15, 55, 56, 57, 58, 60, 63, 107], "errortest_sen": [55, 107], "especi": [3, 7, 14, 17, 46, 56, 107], "essenti": [6, 13, 68, 93, 107], "est": 108, "establish": [2, 6], "estim": [56, 107], "et": [6, 74, 104], "etc": [3, 15, 19, 53, 99], "eugen": 108, "evalu": [1, 2, 3, 18, 55, 107], "even": [3, 4, 5, 6, 15, 18, 19, 68, 93], "evenli": 81, "event": [18, 68, 107], "ever": 68, "everi": [1, 3, 6, 7, 18, 46, 68, 93, 95], "everyon": 68, "everyth": [6, 15], "evolut": 98, "evolv": 44, "ex": [4, 7, 15], "exact": [56, 68, 107], "exact_integr": [56, 60, 63, 64], "exactli": [3, 69, 79, 93], "exampl": [2, 3, 6, 7, 18, 46, 68, 71, 75, 94, 95, 99, 104, 107], "examplebind": 6, "exce": [3, 107], "excel": [56, 60, 63, 64], "except": [3, 6, 7, 15, 26, 50, 56, 68, 93, 102], "exchang": [21, 26, 28, 36, 40, 41, 45, 65, 69, 75, 77, 79, 81, 85, 86, 89, 90, 104, 108], "exchange_matrix": 65, "exclud": [47, 68, 104, 107], "exclus": [1, 68, 102], "excus": 68, "execut": [1, 3, 7, 13, 14, 15, 17, 47, 68], "exemplari": 104, "exemplifi": 75, "exercis": [5, 68], "exhibit": [56, 107], "exist": [6, 7, 26, 50], "exlus": 99, "exp": [60, 72, 81], "expand": 5, "expans": [2, 5], "expect": [3, 7, 56, 58, 60, 63, 68, 93], "experi": [56, 98], "experiment": [7, 56, 104], "explain": [3, 18, 68, 69, 72, 86, 88, 90], "explan": [6, 46], "explicit": 75, "explicitli": [3, 46, 67, 68], "explor": 15, "expon": [22, 32, 49, 50, 51, 95], "exponenti": 60, "export": [2, 13, 14], "express": 68, "expressli": 68, "ext": 57, "ext_": [75, 94], "ext_mass_action_law": 94, "ext_multi_component_langmuir": 75, "ext_xxx": [26, 50], "ext_xxx_yyi": [26, 50], "ext_xxx_yyy_t": [26, 50], "ext_xxx_yyy_tt": [26, 50], "ext_xxx_yyy_ttt": [26, 50], "extend": [2, 5, 17, 26, 44, 45, 68, 69, 75, 78, 79], "extended_mobile_phase_modul": 21, "extens": [2, 6, 7, 19, 68, 70], "extent": [68, 93], "extern": [2, 3, 21, 44, 45, 51, 92, 107], "extfun": [26, 50, 75, 94], "extfun_typ": [44, 45], "extra": 107, "extractjacobianfromad": 6, "extrem": [99, 107], "f": [2, 6, 32, 53, 68, 71, 75, 81, 95, 97, 99, 102, 107, 108], "f_": [2, 91, 93, 94, 95, 96, 97, 98, 99, 101, 102, 103, 104], "face": 99, "facil": 68, "facilit": 17, "fact": 107, "factor": [20, 23, 32, 37, 38, 39, 40, 41, 42, 54, 56, 57, 58, 60, 63, 78, 81, 89, 90, 99], "factori": 6, "fail": [3, 68, 98, 107], "failur": [55, 68, 107], "fair": 68, "fall": 98, "fals": [3, 6, 18], "famili": [19, 68, 104], "far": [19, 56], "fashion": 68, "fast": [14, 19, 58, 65], "faster": [1, 3, 14, 17, 19, 56, 58, 59, 60, 63, 64, 65, 75], "fastest": [46, 107], "favor": [60, 68], "featur": [5, 7, 26, 44, 68, 92, 94, 107], "februari": 108, "fed": 3, "fee": 68, "feed": [93, 97, 101], "feeheri": 108, "feel": 5, "feling": 108, "felix": 108, "ferment": 19, "few": [89, 107], "ffsensitivityparam": 107, "field": [3, 7, 21, 46, 48, 49, 56, 58, 59, 60, 63, 64, 65, 67, 93, 99, 102, 103, 104], "fifth": [2, 93], "fig": [46, 99, 102, 104, 107], "figur": [2, 3, 104], "file": [1, 3, 4, 6, 7, 13, 14, 15, 18, 47, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 92, 94], "file_format": [44, 47], "filenam": 3, "fill": [99, 102, 103], "film": [3, 18, 49, 58, 60, 63, 99, 100, 102], "film_diffus": [3, 18, 46, 58, 60, 63], "film_diffusion_dep": 49, "film_diffusion_multiplex": [58, 60, 63], "filter": 98, "filtrat": 19, "final": [1, 3, 6, 18, 68, 93, 99], "find": [4, 5, 7, 19, 68, 107], "fine": [1, 56], "finish": 15, "finit": [45, 54, 56, 61, 99], "first": [3, 6, 7, 15, 18, 26, 36, 40, 50, 52, 56, 58, 67, 68, 71, 72, 81, 93, 104, 107], "fit": [68, 81, 108], "five": 93, "fix": [7, 19, 56, 60, 68, 107], "fix_zero_surface_diffus": 60, "fjactor": 60, "flag": [7, 93], "flag1": 7, "flag2": 7, "fldf_kf": 22, "fldf_kkin": 22, "fldf_n": 22, "flexibl": [19, 60, 93], "flow": [2, 3, 7, 18, 44, 45, 57, 58, 59, 60, 61, 63, 64, 65, 68, 91, 92, 98, 100, 104, 105, 107, 108], "flow_rat": 18, "flow_sheet": 18, "flowrate_filt": 59, "flowsheet": 18, "fluid": [98, 99, 102, 103], "flux": [6, 44, 45, 48, 53, 56, 58, 60, 63, 64, 65, 67, 75, 94, 95, 96, 97, 99, 104], "fluximpl": 6, "fold": 85, "folder": [0, 3, 4, 6, 7, 15], "follow": [1, 2, 3, 6, 7, 15, 18, 19, 46, 49, 56, 57, 67, 68, 75, 81, 93, 99, 102, 103, 104], "foral": [97, 99, 102, 103, 104], "forbid": 68, "forc": [22, 31, 34, 35, 68, 71, 80, 83, 84, 92, 104], "forg": [17, 19], "fork": 19, "form": [1, 2, 68, 71, 75, 95, 96, 99], "format": [3, 6, 19, 26, 47, 50, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 92, 93, 94], "formul": [6, 56, 74, 104, 107], "formula": [56, 107], "forschungszentrum": 19, "forum": [6, 19], "forward": [2, 3, 18, 51, 55, 58, 65, 94, 97, 99, 107], "found": [7, 68, 104], "foundat": 68, "four": [26, 50, 99], "fourth": 101, "frac": [2, 6, 56, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 93, 95, 96, 97, 98, 99, 102, 103, 104, 107], "fraction": [58, 59, 60, 63, 91, 98, 99, 105], "framework": [1, 44], "free": [5, 68, 90], "freedom": [46, 56, 68, 89], "freeli": [13, 14], "frequenc": 56, "fresh": 15, "freundlich": [26, 45, 75], "freundlich_ldf": 22, "frit": [97, 99], "from": [1, 2, 3, 6, 7, 16, 18, 19, 23, 36, 40, 41, 46, 47, 51, 56, 57, 58, 59, 60, 63, 64, 65, 68, 71, 75, 86, 89, 90, 93, 94, 97, 99, 102, 103, 104, 107], "front": [18, 56, 78, 107], "frontend": [2, 3, 18], "fsf": 68, "fulfil": 68, "full": [48, 53, 55, 57, 58, 59, 60, 63, 64, 65, 68, 93, 99, 107], "fulli": [2, 49, 56, 93], "function": [1, 2, 3, 6, 7, 26, 32, 51, 56, 57, 68, 81, 92, 99, 104, 107, 108], "function_react": 50, "fund": 19, "fundament": [68, 108], "funtion": 75, "further": [18, 19, 58, 60, 63, 64, 65, 68, 100, 104], "furthermor": [6, 107], "fuse": 107, "futur": [67, 68], "fv": [49, 56, 60, 63, 64, 65, 67], "fwd": [94, 95], "fzj": 19, "g": [2, 3, 4, 5, 6, 7, 15, 17, 18, 46, 56, 67, 72, 75, 85, 86, 93, 94, 95, 98, 99, 101, 104, 105, 107, 108], "g_": 107, "galerkin": [45, 56, 61], "gamma": 77, "gamma_i": [70, 77], "gang": 108, "gap": 5, "gauss": 56, "gcc": [13, 14], "ge": [20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 39, 40, 41, 42], "gel": 108, "gener": [1, 2, 6, 7, 15, 19, 26, 44, 45, 46, 56, 59, 61, 63, 64, 65, 67, 68, 75, 78, 81, 93, 95, 100, 102, 103, 107], "general_rate_model": [3, 45, 61], "general_rate_model_2d": [45, 61], "generalized_ion_exchang": 23, "generalratemodel": [2, 18], "genr": 108, "geometri": [3, 18, 58, 60, 63, 100], "georg": 108, "geoscienc": 19, "geq": [51, 54, 55, 56, 57, 58, 59, 60, 62, 63, 64, 65, 66, 67, 69, 79, 93, 97, 99], "get": [13, 15, 68, 104], "giex_ka": 23, "giex_ka_lin": 23, "giex_ka_prot": 23, "giex_ka_quad": 23, "giex_ka_salt": 23, "giex_kd": 23, "giex_kd_lin": 23, "giex_kd_prot": 23, "giex_kd_quad": 23, "giex_kd_salt": 23, "giex_lambda": 23, "giex_nu": 23, "giex_nu_lin": 23, "giex_nu_quad": 23, "giex_refc0": 23, "giex_refq": 23, "giex_sigma": 23, "git": [5, 13, 14, 15, 47], "github": [0, 5, 7, 13, 14, 15, 19], "give": [2, 3, 7, 18, 56, 68, 92, 93, 107], "given": [2, 3, 6, 18, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 50, 56, 58, 60, 63, 64, 67, 68, 69, 70, 71, 72, 75, 80, 83, 84, 85, 86, 88, 90, 93, 94, 95, 96, 97, 98, 99, 100, 101, 102, 103, 104, 107], "global": [44, 67], "globular": 108, "gmre": [57, 58, 60, 63], "gnu": 68, "go": [1, 6], "goal": 2, "godunov": 56, "goe": 3, "good": [6, 7], "gov": 108, "govern": [68, 97, 98, 99], "gpl": 68, "gradient": [56, 60, 63, 64, 108], "grain": 1, "gram": [57, 58, 60, 63], "grant": [68, 108], "graph": [18, 93], "grati": 68, "greatest": 68, "gregor": 108, "grid": [3, 56, 107], "griesbach": 108, "grm": [2, 49, 56, 60, 67, 97, 100, 102], "grm2d": [58, 100], "group": [3, 18, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 44, 50, 51, 52, 61, 93, 97, 107], "gs_type": [3, 57, 58, 60, 63], "gt": [20, 23, 29, 31, 33, 34, 35, 36, 37, 39, 40, 41, 42, 56], "gu": 108, "guarante": 68, "guard": 6, "gui": 68, "guid": [3, 7, 18, 55, 57, 58, 60, 63], "guidanc": 5, "guidelin": 5, "guiochon": 108, "h": [107, 108], "h5": [3, 4, 6, 7, 15], "h5tojson": 7, "h_i": 87, "ha": [2, 3, 6, 7, 18, 21, 26, 46, 48, 50, 57, 58, 59, 60, 63, 65, 68, 69, 70, 71, 75, 77, 79, 89, 90, 93, 94, 96, 97, 99, 107], "had": 68, "hahn": 108, "half": [58, 59, 60, 63, 64, 65, 96], "hand": 107, "handl": [2, 3, 19], "hansen": 108, "happen": [56, 102, 107], "hardli": 56, "hat": 93, "have": [2, 3, 5, 6, 7, 14, 15, 18, 26, 46, 50, 56, 58, 59, 60, 63, 68, 69, 75, 78, 79, 89, 93, 94, 97, 99, 107], "hdf5": [2, 3, 14, 19, 44], "hdf5_use_static_librari": 7, "hdf5view": 15, "header": 6, "heart": 19, "heidelberg": 108, "height": [67, 99], "help": [5, 16, 19, 105, 107], "henc": [7, 56, 57, 93, 95, 102, 107], "henri": 38, "hepbildikl": 108, "here": [3, 4, 6, 7, 18, 19, 49, 56, 67, 69, 75, 79, 93, 96, 97, 99, 104], "hereaft": 68, "heterogen": 71, "heurist": [57, 93], "hexagon": 81, "hic": [21, 26, 28, 45, 75], "hic_constant_water_act": 24, "hic_water_on_hydrophobic_surfac": 25, "hiccwa_beta0": 24, "hiccwa_beta1": 24, "hiccwa_ka": 24, "hiccwa_kd": 24, "hiccwa_nu": 24, "hiccwa_qmax": 24, "hicwhs_beta0": 25, "hicwhs_beta1": 25, "hicwhs_ka": 25, "hicwhs_kd": 25, "hicwhs_nu": 25, "hicwhs_qmax": 25, "high": [7, 46, 56, 108], "higher": [3, 56, 67, 81], "highli": [2, 6, 19, 24, 25, 56], "hindmarsh": 108, "histori": 15, "hold": [6, 46, 95, 97, 102, 103, 107], "holder": 68, "holdup": 98, "hollow": [99, 102, 103], "homebrew": 14, "homogen": [58, 97, 99, 102, 103], "hope": 68, "horv": 108, "host": [19, 68], "household": 68, "how": [6, 7, 18, 19, 46, 56, 68], "howev": [3, 19, 26, 46, 50, 56, 68, 93, 95, 97, 99, 105, 107], "hpp": 6, "html": [0, 68], "http": [0, 2, 13, 14, 15, 19, 68, 108], "hubbuch": 108, "huber": 108, "huuk": 108, "hydrophob": [21, 24, 26, 28, 45, 75, 77, 108], "hypothet": 68, "i": [0, 1, 2, 3, 4, 5, 6, 7, 14, 15, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 44, 46, 48, 49, 50, 52, 53, 54, 55, 56, 57, 58, 59, 60, 63, 64, 65, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 93, 94, 95, 96, 97, 98, 99, 100, 101, 102, 103, 104, 105, 107, 108], "i_": 104, "ibg": 19, "ibindingmodel": [2, 6], "id": [1, 4, 7, 93, 108], "ida": [2, 55, 57, 58, 60, 63, 107], "idea": 68, "ideal": 81, "identif": 107, "identifi": [6, 44, 52, 56, 68, 75, 94, 107], "idynamicreactionmodel": 2, "iex": [21, 28], "iexternalfunct": 2, "ignor": [3, 26, 42, 57, 58, 59, 60, 63, 64, 65, 67, 93, 99], "ij": [65, 87], "il": 104, "ill": 107, "illustr": 104, "imag": 104, "imagin": 56, "immisc": 104, "immobil": [88, 99], "imodelsystem": 2, "imperm": 99, "implem": 73, "implement": [1, 3, 5, 6, 13, 14, 44, 49, 56, 68, 74, 75, 96, 104, 107], "implementsanalyticjacobian": 6, "impli": 68, "implicit": 2, "implicitli": [6, 67], "import": [3, 6, 14, 18, 56, 68, 99, 107], "impos": 68, "imprecis": 107, "improv": [5, 56, 75, 97], "inabl": 68, "inaccur": 68, "inc": 68, "incident": 68, "includ": [2, 3, 6, 7, 13, 14, 15, 18, 19, 32, 48, 53, 55, 57, 58, 60, 68, 82, 93, 99], "inclus": 68, "incom": 93, "incompat": 68, "incompress": [3, 18, 99, 102, 103], "inconsist": 99, "incorpor": [1, 56, 67, 68], "increas": [3, 56, 60, 93, 107], "indemnif": 68, "independ": [6, 54, 58, 60, 63, 64, 65, 68, 69, 79, 107], "index": [26, 40, 46, 50, 52, 54, 57, 58, 60, 63, 65, 70, 75, 89, 93, 94, 96, 99, 102, 107], "indic": [3, 26, 50, 55, 56, 57, 58, 65, 68, 75, 93, 94, 104, 107], "individu": [1, 7, 58, 60, 63, 68, 93, 104], "induc": 108, "industri": [68, 108], "inert": [70, 77], "inf": 7, "infer": [58, 59, 60, 63, 64, 65, 93, 97, 99], "infin": 71, "infinit": [24, 25], "inflow": 93, "influenc": [57, 58, 60, 63, 77], "inform": [1, 3, 6, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 33, 34, 35, 36, 37, 38, 39, 40, 41, 46, 58, 59, 60, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 92, 94, 97, 99, 101, 102, 103, 104, 105], "infrastructur": 2, "infring": 68, "infti": [56, 99], "inhibit": [52, 96], "inhomogen": [58, 60, 63, 65, 97], "init_c": [3, 58, 59, 60, 63, 64, 65], "init_cp": [58, 60, 63], "init_damp": 42, "init_liquid_volum": 59, "init_q": [3, 58, 59, 60, 63, 64], "init_st": [58, 59, 60, 63, 64, 65], "init_state_i": 57, "init_state_sensy_xxx": 57, "init_state_sensydot_xxx": 57, "init_state_ydot": 57, "init_step_s": [3, 55, 107], "init_volum": 59, "initi": [2, 7, 44, 45, 55, 57, 58, 59, 60, 63, 64, 65, 68, 93, 95, 99, 102, 103], "inject": 97, "inlet": [2, 44, 45, 48, 53, 61, 75, 93, 97, 99, 100, 107], "inlet_typ": [3, 62], "inner": [67, 97, 99, 102, 103], "input": [3, 5, 17, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 44, 48, 50, 51, 52, 61, 93, 107], "insert": 107, "insid": [48, 56, 58, 60, 68, 97, 98, 99, 102, 103], "instal": [0, 1, 3, 4, 14, 15, 16, 18, 68], "instanc": [3, 7, 46, 107], "instanti": 18, "instead": [3, 15, 18, 19, 26, 48, 50, 56, 58, 59, 60, 64, 65, 68, 75, 93, 95, 105, 107], "institut": 19, "int": [6, 20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 43, 47, 49, 53, 54, 55, 57, 58, 59, 60, 62, 63, 64, 65, 66, 67, 97, 99], "intact": 68, "integ": [26, 50], "integr": [1, 2, 3, 7, 15, 46, 47, 48, 55, 56, 60, 63, 64, 107], "intel": [1, 13, 14, 19], "intel10_64lp": [1, 13, 14, 15], "intel10_64lp_seq": [1, 13, 14, 15], "intend": [5, 68], "intens": [58, 65], "intent": 68, "interact": [23, 24, 25, 32, 41, 68, 71, 77, 81, 87, 104, 108], "interchang": 68, "interest": [3, 6, 56, 68], "interf": 68, "interfac": [1, 2, 17, 19, 56, 68, 92], "intern": [60, 93, 107], "interplai": [99, 108], "interpol": [2, 56], "interpret": 68, "interprocedur": 1, "interstiti": [2, 3, 18, 46, 48, 49, 60, 63, 64, 67, 93, 97, 99, 102, 103], "interv": 101, "intim": 68, "introduc": [6, 7, 97, 104, 107], "introduct": [5, 16, 44, 56], "invalid": 68, "invers": [81, 108], "invert": 107, "involv": [99, 104, 107], "io": 0, "ion": [21, 26, 28, 45, 69, 75, 77, 81, 86, 90, 108], "ionic": [75, 81, 90], "iqbal": 108, "irregular": 97, "irrevoc": 68, "irv": 108, "is_kinet": [3, 18, 20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 75], "isbn": 108, "isimul": 2, "isimulatablemodel": 2, "isol": 7, "isotherm": [6, 56, 71, 73, 74, 75, 78, 81, 108], "issu": [5, 57, 58, 60, 63, 71], "istotherm": 71, "item": [2, 7, 68], "iter": [55, 57, 58, 60, 63, 93, 107], "its": [2, 3, 56, 68, 71, 81, 93, 97, 99, 104, 107], "itself": [2, 68, 93, 104], "iunitoper": 2, "iv": [46, 48, 58, 59, 60, 62, 63, 64, 67], "j": [2, 6, 19, 20, 52, 53, 58, 60, 65, 69, 70, 72, 73, 74, 75, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 93, 95, 96, 97, 98, 99, 102, 108], "j_": [53, 99], "j_f": [75, 95], "ja02268a002": 108, "jacobian": [1, 6, 7, 58, 59, 60, 64, 65, 71, 75, 93, 95, 107], "jacobianimpl": 6, "jakobsson": 108, "jan": 108, "januari": 108, "johann": 108, "john": 108, "joint": 53, "jona": [104, 108], "journal": 108, "json": [4, 5, 6, 7], "jtbi": 108, "jump": 107, "june": [68, 108], "just": [3, 6, 7, 46, 48, 107], "j\u00e4pel": [73, 108], "j\u00f8rgen": 108, "j\u00fclich": 19, "j\u00fcrgen": 108, "k": [43, 56, 65, 69, 75, 79, 80, 86, 89, 93, 95, 97, 101, 104, 108], "k_": [32, 52, 60, 65, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 90, 94, 95, 96, 97, 99, 102], "k_a": [75, 85, 104], "k_d": [75, 85, 104], "k_f": 71, "ka": 3, "kanji": 108, "kappa": 81, "kappa_": [32, 81], "kappa_f": 81, "karlsson": 108, "katharina": 108, "katti": 108, "kd": 3, "keep": 68, "kei": 68, "keith": 108, "kernel": [15, 68], "kin": [32, 75, 81], "kind": 68, "kinet": [3, 20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 44, 45, 50, 75, 81, 94, 108], "kl": 104, "know": [15, 68], "knowingli": 68, "knowledg": 68, "known": [97, 99], "krylov": [57, 58, 60, 63], "kth": 56, "ku": 108, "l": [7, 53, 75, 91, 94, 95, 97, 98, 99, 102, 103, 104, 108], "l_": 95, "l_i": 53, "l_j": 95, "label": 104, "lack": [57, 58, 60, 63], "lagrang": 56, "lambda": [72, 75, 86, 88, 90, 104], "lambda_j": [20, 69], "lang": 70, "langmuir": [3, 6, 18, 26, 45, 56, 69, 75, 85, 99, 108], "languag": [2, 68], "lapack": [1, 58, 65], "larg": [1, 15, 56, 99, 104, 107, 108], "larger": [1, 57, 58, 60, 63, 68, 99], "last": [3, 40, 48, 53, 57, 58, 107], "last_state_i": 48, "last_state_sensy_xxx": 48, "last_state_sensydot_xxx": 48, "last_state_ydot": 48, "later": [3, 58, 60, 68, 99, 104], "latest": 15, "latter": [6, 46, 93, 99], "lattic": 81, "launch": [4, 7], "law": [44, 45, 49, 50, 60, 68, 94], "lawsuit": 68, "layer": 17, "layout": [44, 46], "ldf": [26, 45, 92], "ldf_liquid_phas": 75, "le": [71, 107], "lead": [15, 99], "lean": 55, "least": [7, 56, 68, 93], "leav": [3, 56, 105], "lee": 108, "left": [2, 54, 57, 58, 59, 60, 63, 64, 65, 67, 69, 70, 71, 72, 73, 74, 75, 77, 78, 79, 81, 82, 84, 85, 86, 88, 89, 90, 91, 94, 95, 97, 98, 99, 101, 102, 103, 104, 107], "leftrightarrow": 75, "legal": 68, "legend": 18, "length": [3, 18, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 46, 48, 49, 50, 51, 52, 54, 55, 57, 58, 59, 60, 62, 63, 64, 65, 66, 67, 75, 81, 94, 99, 102, 103, 104], "lenhoff": 108, "leq": [69, 79, 80, 86, 101], "less": [1, 3, 43, 56, 57, 60, 63, 64, 75], "lesser": 68, "let": [89, 107], "letter": 2, "level": [46, 57], "levmar": 42, "lewek": [2, 19, 108], "lfloor": [60, 63, 64], "lgpl": 68, "liabil": 68, "liabl": 68, "libbla": 13, "libblas3": 13, "libcadet": [2, 4, 6], "libeigen3": 13, "libhdf5": 13, "liblapack": 13, "liblapack3": 13, "librari": [1, 2, 3, 15, 58, 65, 68], "libsuperlu": 13, "license": 68, "licensor": 68, "lier": [19, 108], "ligand": [24, 25, 108], "like": [4, 6, 7, 68], "likewis": 68, "limit": [19, 44, 52, 68, 69, 71, 79, 81, 96], "lin": [70, 72, 89], "lin_coeff": [3, 57, 62], "lin_ka": 27, "lin_kd": 27, "line": [1, 2, 6, 68], "linear": [2, 6, 21, 23, 26, 31, 32, 34, 35, 40, 45, 46, 54, 56, 57, 58, 60, 62, 63, 65, 70, 71, 80, 83, 84, 87, 92, 107, 108], "linear_interp_data": [44, 45], "linear_solution_mod": 57, "linear_solver_bulk": [58, 65], "linearbufferalloc": 6, "linearli": [58, 60, 75, 95, 107], "link": [1, 7, 68, 108], "linker": 1, "linkinghub": 108, "linspac": 3, "linux": [1, 2, 17, 19], "liquid": [19, 20, 23, 26, 37, 39, 40, 41, 45, 51, 56, 58, 59, 60, 63, 69, 75, 77, 80, 83, 86, 87, 90, 91, 95, 96, 98, 99, 104, 108], "liquid_salt_colloidal_affin": 60, "liquid_salt_exponenti": 60, "liquid_salt_pow": 60, "list": [3, 7, 18, 19, 26, 46, 50, 57, 65, 68, 93], "literatur": 7, "litig": 68, "lk": 104, "ll": [6, 99, 102, 104], "llc": 104, "ln": 81, "load": [1, 3, 9, 15, 31, 34, 35, 46, 108], "lobatto": 56, "local": [0, 55, 56, 68, 107], "locat": [1, 3, 15], "log": [1, 56], "logic": 7, "long": [3, 58, 60, 68, 81, 93, 108], "longer": 75, "look": [3, 6], "loss": [15, 68], "lot": [6, 56], "low": [3, 7, 56, 76, 107], "lower": [43, 56], "lowercas": [3, 46], "lrm": [6, 49, 56, 64, 67, 100, 104], "lrmp": [49, 56, 63, 67, 100, 103], "lu": [58, 65], "lump": [44, 45, 61, 67, 100], "lumped_rate_model_with_por": [45, 61], "lumped_rate_model_without_por": [45, 61], "lumpedratemodelwithpor": 7, "lvert": 89, "lwe": 15, "m": [1, 3, 4, 17, 18, 32, 48, 58, 59, 60, 62, 63, 64, 65, 67, 69, 75, 79, 80, 83, 84, 86, 93, 95, 107, 108], "m_": [20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 46, 53, 58, 91, 97, 98, 99, 102], "m_i": [86, 89, 103], "m_j": [86, 99], "ma": 108, "mac": [14, 19], "machin": 68, "maco": [1, 2], "macro": 6, "made": [67, 68, 107], "magnet": 104, "magnitud": [7, 99, 107], "mai": [2, 5, 26, 44, 50, 56, 60, 63, 64, 68, 75, 90, 93, 94, 95, 97, 98, 99, 107, 108], "mail": 68, "main": [6, 75, 99, 102, 103, 104], "mainli": 75, "maintain": [2, 5, 19, 68], "mainten": [2, 5], "major": [3, 7, 20, 30, 31, 32, 36, 37, 40, 46, 47, 48, 51, 52, 57, 58, 59, 60, 63, 64, 65, 68, 93], "make": [3, 6, 7, 13, 14, 56, 68, 98], "mal_exponents_bulk_bwd": 51, "mal_exponents_bulk_fwd": 51, "mal_exponents_liquid_bwd": 51, "mal_exponents_liquid_bwd_modsolid": 51, "mal_exponents_liquid_fwd": 51, "mal_exponents_liquid_fwd_modsolid": 51, "mal_exponents_solid_bwd": 51, "mal_exponents_solid_bwd_modliquid": 51, "mal_exponents_solid_fwd": 51, "mal_exponents_solid_fwd_modliquid": 51, "mal_kbwd_bulk": 51, "mal_kbwd_liquid": 51, "mal_kbwd_solid": 51, "mal_kfwd_bulk": 51, "mal_kfwd_liquid": 51, "mal_kfwd_solid": 51, "mal_stoichiometry_bulk": 51, "mal_stoichiometry_liquid": 51, "mal_stoichiometry_solid": 51, "mamba": [17, 19], "manag": [1, 6, 7, 14], "mandatori": [46, 57], "mani": [2, 6, 26, 46, 69, 79, 97, 101, 107], "manner": 68, "manual": [4, 44, 105, 107], "manufactur": 68, "map": [3, 57, 58, 60, 107], "mapsto": 2, "march": [68, 108], "mark": 68, "mask": 68, "mass": [26, 44, 45, 50, 72, 75, 88, 93, 94, 99, 101, 102, 103, 104, 105, 107, 108], "mass_action_law": [51, 94], "master": [0, 6], "match": [6, 71], "materi": 68, "math": 15, "mathbb": [2, 38, 40, 43, 49, 52, 54, 57, 58, 59, 60, 62, 63, 64, 65, 67, 75, 94, 95, 97, 99, 101, 102, 103, 107], "mathbf": [2, 96], "mathcal": [2, 7, 70, 107], "mathemat": [19, 56, 81, 108], "mathrm": [43, 47, 48, 52, 55, 57, 58, 59, 60, 62, 63, 64, 65, 67, 69, 70, 72, 73, 74, 75, 76, 77, 78, 79, 82, 85, 86, 87, 88, 90, 94, 95, 96, 98, 99, 102, 103, 107], "matlab": 2, "matplotlib": 3, "matric": [50, 93, 95], "matrix": [3, 6, 26, 46, 48, 51, 52, 53, 57, 58, 59, 60, 64, 65, 92, 93, 95, 96, 104, 107], "matter": 3, "matthia": 108, "max": [52, 70, 73, 74, 77, 78, 79, 82, 85, 89, 95, 96, 99], "max_convtest_fail": [55, 107], "max_errtest_fail": [55, 107], "max_krylov": [3, 57, 58, 60, 63], "max_newton_it": [55, 107], "max_newton_iter_sen": [55, 107], "max_restart": [3, 57, 58, 60, 63], "max_step": [3, 55, 107], "max_step_s": [55, 107], "maximum": [21, 24, 25, 28, 29, 30, 31, 33, 34, 35, 36, 46, 55, 56, 57, 58, 60, 63, 75, 93, 107], "mayb": 6, "mcal_antilangmuir": 29, "mcal_ka": 29, "mcal_kd": 29, "mcal_qmax": 29, "mcbl_ka": 30, "mcbl_kd": 30, "mcbl_qmax": 30, "mcblldf_keq": 31, "mcblldf_kkin": 31, "mcblldf_qmax": 31, "mcl_ka": [3, 33], "mcl_kd": [3, 33], "mcl_qmax": [3, 33], "mclldf_keq": 34, "mclldf_kkin": 34, "mclldf_qmax": 34, "mclldfc_keq": 35, "mclldfc_kkin": 35, "mclldfc_qmax": 35, "mcsgp": 93, "mcspr_k12": 36, "mcspr_k21": 36, "mcspr_ka": 36, "mcspr_kd": 36, "mcspr_qmax": 36, "mct": [6, 44, 45, 61, 100], "mean": [46, 68, 93, 102, 107], "meaning": 7, "measur": 68, "mechan": [56, 81, 94, 104], "mechanist": [6, 108], "media": 108, "medium": [58, 59, 60, 62, 63, 64, 65, 66, 68], "meet": [2, 68], "mei": 108, "meland": 108, "memori": [6, 19, 46, 57, 58, 60, 63, 65, 107], "menten": [44, 45, 50, 94], "mention": [3, 7], "menu": [7, 68], "merchant": 68, "mere": 68, "merg": [6, 68, 105], "messag": 15, "met": 68, "meta": [44, 46, 107], "metapress": 108, "method": [2, 3, 6, 7, 18, 44, 45, 54, 55, 58, 61, 65, 67, 68, 93, 107], "micha": [44, 45, 50, 94], "michaelis_menten": 52, "microsoft": 15, "might": [4, 56, 68, 96, 107], "mimick": 6, "min": [3, 89], "min_damp": 42, "minceva": 108, "minim": [42, 107], "minor": 47, "minut": 15, "mirjana": 108, "misrepresent": 68, "miss": [6, 69, 86, 90], "misspel": 3, "mix": 98, "mixtur": 104, "miyab": 108, "mkl": [13, 14, 15], "mklroot": [13, 14, 15], "mm": [18, 32, 52, 96], "mm_ki": 52, "mm_kmm": 52, "mm_stoichiometry_bulk": 52, "mm_vmax": 52, "mobil": [3, 18, 26, 45, 46, 48, 53, 58, 59, 60, 63, 64, 65, 67, 75, 81, 99], "mobile_phase_modul": 28, "mod": [23, 70], "mode": [1, 7, 20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 55, 57, 58, 59, 60, 63, 64, 65, 68, 75, 107, 108], "model": [1, 2, 4, 5, 16, 17, 19, 20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 44, 45, 51, 52, 55, 61, 68, 69, 70, 71, 72, 73, 74, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 93, 95, 101, 105, 107, 108], "modelbuild": 6, "modelbuilderimpl": 6, "modelparticlelrmp": 102, "modelsystem": 2, "modif": 68, "modifi": [2, 6, 17, 21, 23, 40, 51, 55, 57, 58, 60, 63, 68, 70, 72, 74, 75, 77, 95, 97], "modsim": [13, 14, 15, 19], "modul": [26, 45, 75, 81, 104], "modular": [2, 19], "mol": [3, 18, 20, 21, 22, 23, 24, 25, 28, 29, 30, 31, 33, 34, 35, 36, 37, 39, 40, 41, 48, 58, 59, 60, 62, 63, 64, 65], "molass": 108, "molecul": [24, 25, 81, 85, 86, 89, 90, 99, 102, 103, 104], "mollerup": 108, "moment": [44, 49, 56], "monoton": [56, 89, 93], "monoval": [20, 23, 37, 39, 40, 41], "more": [3, 6, 15, 18, 19, 26, 48, 56, 60, 63, 64, 68, 69, 70, 71, 72, 73, 74, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 93, 94, 107], "moreov": [3, 18, 56, 68, 100], "morlei": 108, "most": [3, 6, 7, 13, 14, 15, 19, 21, 44, 56, 60, 68, 75, 94, 95, 99, 100, 101, 107], "move": [2, 108], "mp": [20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 33, 34, 35, 36, 37, 38, 39, 40, 41, 46, 48, 58, 60, 63], "mpm_beta": 28, "mpm_gamma": 28, "mpm_ka": 28, "mpm_kd": 28, "mpm_qmax": 28, "mri": 104, "mrmassactionlawexpmatdefault": 95, "msbuild": 15, "mssma_ka": 37, "mssma_kd": 37, "mssma_lambda": 37, "mssma_nu": 37, "mssma_rat": 37, "mssma_refc0": 37, "mssma_refq": 37, "mssma_sigma": 37, "mu_": [52, 96], "much": [3, 56, 75, 99, 102, 103, 107], "multi": [1, 6, 26, 44, 45, 53, 69, 70, 75, 77], "multi_channel_transport": [45, 61], "multi_component_antilangmuir": 29, "multi_component_bilangmuir": 30, "multi_component_bilangmuir_ldf": 31, "multi_component_colloid": 32, "multi_component_langmuir": [3, 33, 75], "multi_component_langmuir_ldf": [34, 75], "multi_component_langmuir_ldf_liquid_phas": [35, 75], "multi_component_spread": 36, "multichannel": [1, 6, 44, 45, 61, 100], "multicompon": [74, 108], "multipl": [6, 15, 18, 44, 45, 48, 56, 57, 71, 73, 74, 75, 93, 100, 102, 105, 107, 108], "multiplex": [58, 59, 60, 63, 64, 65, 67], "multistate_steric_mass_act": 37, "multivers": 0, "must": [1, 3, 6, 18, 32, 56, 60, 67, 68, 69, 79, 93, 107], "my": 7, "myst": 106, "n": [2, 32, 65, 71, 81, 93, 104, 107, 108], "n1": [65, 104], "n_": [2, 48, 56, 69, 70, 71, 72, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 93, 95, 97, 98, 99, 101, 103], "n_c": [2, 104], "n_compon": [3, 18], "n_d": [56, 60, 63, 64], "n_k": 104, "n_thread": 1, "naiv": 74, "name": [3, 4, 6, 7, 18, 21, 26, 42, 46, 50, 53, 54, 57, 67, 68, 107], "nanoparticl": 108, "nativ": [14, 44, 75], "natur": [68, 99], "naumann": 19, "navig": 15, "nbnd": [37, 58, 60, 63], "nbound": [3, 46, 58, 59, 60, 63, 64], "ncbi": 108, "nchannel": 65, "ncol": [3, 48, 56, 58, 60, 63, 64, 65, 67], "ncomp": [3, 20, 21, 23, 24, 25, 26, 28, 29, 30, 31, 33, 34, 35, 36, 37, 38, 39, 40, 41, 46, 48, 51, 52, 58, 59, 60, 62, 63, 64, 65, 66], "nconnect": 57, "ndof": [46, 57, 58, 59, 60, 63, 64, 65], "necessari": [1, 68, 105, 107], "necessarili": 7, "need": [2, 3, 6, 7, 15, 17, 18, 44, 46, 60, 63, 64, 68, 99, 102, 103, 104, 107], "neg": [52, 56, 58, 65, 89, 97, 99], "neglect": [99, 102, 103], "neither": 68, "nelem": [56, 60, 63, 64], "neq": [43, 58, 60, 69, 79, 89], "nest": 3, "net": [94, 95, 99, 104], "network": [3, 18, 19, 57, 68, 92, 98, 99, 101, 105, 107], "neutral": [69, 86, 90], "never": 56, "new": [2, 3, 5, 6, 7, 44, 57, 68, 75, 107], "newmodel": 6, "newmodelmethod": 7, "newslett": 19, "newton": [55, 60, 63, 93, 107], "next": [3, 6, 18, 40, 68, 93, 107], "nih": 108, "nikla": 108, "nilsson": 108, "nk": 104, "nlm": 108, "node": [48, 53, 56, 58, 60, 93, 105], "non": [1, 19, 44, 45, 56, 60, 68, 72, 73, 74, 81, 89, 104, 107], "noncommerci": 68, "nondimension": 75, "none": [55, 60, 67], "nonetheless": 56, "nonlinear": [44, 45, 55, 57, 58, 60, 63, 64, 65, 75, 93, 95, 107, 108], "nor": 68, "norm": 56, "normal": [57, 68, 75], "notat": [3, 5, 44, 104, 107], "note": [1, 3, 6, 7, 13, 14, 15, 18, 21, 26, 44, 45, 46, 48, 50, 54, 58, 60, 63, 64, 69, 75, 79, 89, 93, 94, 95, 97, 98, 99, 100, 101, 103, 104, 107], "noth": [68, 99], "notic": 68, "notifi": 68, "notwithstand": 68, "novemb": 108, "now": [3, 6, 17, 18], "np": 3, "npar": [3, 48, 56, 58, 60], "npartyp": [46, 58, 59, 60, 63], "nport": 48, "nrad": [48, 58, 97], "nreact": [46, 51, 52], "nsec": [3, 46, 55, 58, 59, 60, 63, 64, 65, 67], "nsen": 54, "nstate": [20, 30, 31, 46], "nswitch": [3, 57], "nthread": [3, 55], "ntotalbnd": [20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 51, 58, 59, 60, 63, 64], "ntotalbound": 46, "ntotalcomp": 46, "nu": [23, 39, 41, 72, 90, 96], "nu_": [20, 69, 72, 86, 89], "nu_i": [72, 73, 74, 75, 88, 90], "nu_j": [72, 75, 88, 90, 96], "null": 14, "number": [1, 3, 13, 14, 15, 18, 23, 24, 25, 32, 37, 39, 40, 41, 46, 54, 55, 56, 57, 58, 59, 60, 62, 63, 64, 65, 66, 67, 68, 69, 71, 75, 79, 81, 86, 88, 90, 93, 99, 107], "numer": [6, 45, 56, 61, 107, 108], "numpi": 3, "nunit": [3, 57], "o": [1, 14, 19], "object": [2, 3, 17, 18, 68, 108], "oblig": 68, "obtain": [26, 50, 75, 99, 103], "occasion": 68, "occur": [56, 68, 107], "occurr": [6, 75], "octob": 108, "oder": 2, "off": 56, "offer": [56, 60, 63, 64, 68, 107], "offici": 68, "often": [56, 76, 90, 98], "oftentim": 56, "oh": 108, "old": [6, 44], "omit": [47, 93], "onc": [15, 55, 93], "one": [1, 3, 6, 7, 15, 18, 20, 21, 26, 46, 48, 50, 55, 56, 58, 60, 63, 68, 75, 77, 93, 94, 99, 102, 103, 104, 107], "oneapi": 1, "ones": [3, 6, 7], "ongo": 7, "onli": [1, 3, 6, 7, 15, 26, 42, 46, 48, 49, 50, 54, 57, 58, 60, 63, 64, 67, 68, 74, 75, 89, 93, 94, 95, 97, 99, 101, 102, 103, 104, 105, 107], "onlin": 15, "open": [0, 5, 13, 15, 17], "openmp": 1, "openurl": 108, "oper": [1, 3, 5, 7, 18, 19, 26, 44, 45, 48, 49, 50, 53, 54, 56, 58, 59, 60, 62, 63, 64, 65, 66, 67, 68, 75, 92, 94, 97, 98, 99, 101, 105, 107, 108], "operatornam": [99, 102, 103], "opt": [13, 14], "optim": [1, 6, 60, 75, 95, 108], "option": [3, 5, 6, 7, 13, 14, 17, 19, 20, 23, 29, 37, 39, 40, 41, 49, 51, 53, 54, 55, 57, 58, 59, 60, 63, 64, 65, 67, 68, 81], "order": [2, 3, 7, 20, 24, 25, 26, 30, 31, 32, 36, 37, 40, 43, 44, 45, 50, 58, 59, 60, 63, 64, 65, 67, 68, 71, 75, 93, 94, 95, 99, 101, 105, 107], "org": [68, 108], "organ": 68, "orient": [2, 17, 18, 75, 85, 86], "origin": [3, 55, 60, 68, 69, 71, 74, 75, 79, 81, 94, 104, 107], "orthogon": [57, 58, 60, 63], "oscil": 56, "oscillatori": 56, "osx": 17, "other": [0, 3, 6, 7, 46, 49, 56, 57, 67, 68, 75, 78, 81, 89, 90, 93, 95, 96, 99, 104, 105, 107], "otherwis": [7, 20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 46, 60, 63, 64, 68, 93, 107], "our": [1, 5, 7, 19, 56, 68], "out": [2, 15, 47, 54, 57, 58, 59, 60, 63, 64, 65, 67, 68, 91, 93, 98, 105], "outdat": 17, "outer": [58, 60, 67, 97, 99, 102, 103], "outflow": 99, "outgo": [3, 18, 93], "outlet": [2, 7, 18, 44, 45, 48, 53, 61, 93, 97, 99, 100, 101], "output": [0, 3, 7, 15, 44, 46, 53, 68, 105], "outsid": [68, 104], "ov": 96, "over": [1, 3, 6, 26, 44, 50, 93, 107], "overhead": 2, "overlap": 6, "overridden": 93, "overrul": 93, "overview": [2, 107], "own": [2, 6, 7, 68, 93, 97, 99], "p": [6, 15, 26, 43, 50, 53, 55, 57, 58, 60, 63, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 81, 82, 85, 86, 87, 88, 90, 95, 97, 99, 102, 103, 107, 108], "p1": 60, "p2": 60, "p3": 60, "p4": 60, "p5": 60, "p_": [3, 26, 49, 50, 53, 60, 95, 97, 99, 102], "p_1": 107, "p_2": 107, "p_c": 99, "p_i": [3, 107], "p_j": [2, 78, 95, 99, 102], "p_n": 107, "pack": 97, "packag": [1, 3, 13, 14, 15, 68], "page": [0, 108], "pair": 104, "paper": [6, 7, 68, 74], "par_boundary_ord": [58, 60], "par_core_radiu": 54, "par_coreradiu": [58, 60], "par_diffus": [3, 46, 58, 60], "par_diffusion_multiplex": [58, 60], "par_disc_typ": [3, 58, 60], "par_disc_vector": [58, 60], "par_geom": [58, 60, 63], "par_nelem": [56, 60], "par_polydeg": [56, 60], "par_poros": [3, 58, 60, 63], "par_radiu": [3, 54, 58, 60, 63], "par_surdiffus": 46, "par_surfdiffus": [3, 58, 60], "par_surfdiffusion_dep": 60, "par_surfdiffusion_expargmult": 60, "par_surfdiffusion_expfactor": 60, "par_surfdiffusion_logkeqconst": 60, "par_surfdiffusion_logkeqexp": 60, "par_surfdiffusion_logkeqfactor": 60, "par_surfdiffusion_multiplex": [58, 60], "par_surfdiffusion_powexp": 60, "par_surfdiffusion_powfactor": 60, "par_type_volfrac": [58, 59, 60, 63], "par_type_volfrac_multiplex": 58, "paragraph": [68, 69, 72, 86, 88, 90], "parallel": [1, 3, 13, 14, 15, 19, 57, 93, 104], "param": 48, "param_valu": [46, 54], "param_xxx": [44, 45, 107], "paramet": [2, 3, 6, 17, 18, 19, 21, 24, 25, 26, 28, 44, 45, 50, 55, 57, 58, 60, 63, 64, 65, 67, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 94, 95, 97, 98, 99, 101, 102, 103, 104, 105, 108], "parameter": 89, "paramt": [44, 45], "paramtyp": 6, "parpolydeg": 60, "parser": 106, "part": [6, 7, 17, 18, 46, 47, 55, 56, 68, 88, 108], "parti": 68, "partial": [2, 6, 19, 53, 72, 75, 97, 98, 99, 102, 103, 104, 107], "particl": [3, 44, 45, 46, 48, 51, 53, 54, 56, 58, 59, 60, 63, 64, 75, 91, 95, 98, 100, 102, 103], "particle_coordinates_xxx": 48, "particle_poros": 18, "particle_radiu": 18, "particular": 68, "particularli": 107, "partyp": 99, "pass": [18, 26, 46, 50, 68, 95, 107], "password": 68, "past": 107, "patch": 47, "patent": 68, "path": [1, 3], "path_to_setup_fil": 4, "pathwai": 104, "pattern": [68, 75, 94], "paul": 108, "payment": 68, "pc": 15, "pdae": [2, 19], "pde": [2, 3], "peer": 68, "per": [15, 24, 25, 26, 47, 56, 75, 107], "perform": [2, 3, 15, 18, 56, 60, 63, 64, 68, 75, 95, 107], "perman": 68, "permiss": 68, "permit": 68, "perpetu": 68, "person": 68, "pertin": 68, "pesticid": 108, "pet": 104, "peter": 108, "petr": 108, "ph": [2, 32, 72, 81], "phantom": [81, 86], "phase": [3, 18, 20, 23, 26, 32, 37, 39, 40, 41, 45, 46, 48, 51, 53, 54, 58, 59, 60, 63, 64, 65, 67, 69, 71, 75, 80, 81, 83, 86, 87, 90, 91, 95, 96, 98, 99, 102, 103, 104, 107, 108], "phd": 2, "phenomena": 56, "phi": [32, 81], "philosophi": 68, "physic": [68, 75, 94, 101, 105], "pi": 97, "piec": [3, 18, 56, 57, 68, 101], "piecewis": [2, 3, 18, 57, 97, 101, 107], "piecewise_cubic_poli": [3, 44, 45, 62], "pii": 108, "pip": [0, 17], "pipelin": 7, "place": [26, 50, 68, 75, 107], "placehold": [75, 94], "placement": 99, "plai": 56, "plain": 18, "plan": [5, 6, 7, 67], "plant": 108, "platform": [1, 2, 15], "pleas": [5, 6, 7, 18, 19, 46, 67, 68, 104], "plot": 5, "plt": 3, "plu": 68, "plug": [93, 103], "pmatrix": [75, 95], "point": [1, 2, 3, 6, 48, 53, 56, 57, 60, 63, 64, 67, 99, 102, 103, 107], "pointer": 68, "polydeg": [56, 60, 63, 64], "polynomi": [2, 3, 18, 26, 50, 56, 57, 60, 63, 64, 75, 93, 94, 101, 107], "pore": [18, 44, 45, 58, 60, 61, 67, 71, 99, 100, 108], "pore_access": [58, 60, 63], "pore_accessibility_multiplex": [58, 60, 63], "pore_diffus": 18, "poros": [2, 3, 58, 60, 63, 64, 97, 99, 103, 104, 107], "porou": 99, "port": [2, 3, 48, 53, 57, 93, 97, 101], "portal": 108, "portion": 68, "pose": 107, "posit": [26, 50, 56, 57, 58, 65, 67, 93, 97, 99, 104], "positron": 104, "possess": [68, 93, 101], "possibl": [1, 17, 57, 58, 65, 68, 75, 93, 94, 107], "possibli": [6, 26, 50, 75, 99, 102, 107], "post": [2, 6, 105], "postprocess": [47, 107], "potenti": [75, 81, 85, 86, 95, 99], "power": [32, 49, 60, 68, 75, 94, 95], "power_law": 49, "powershel": 15, "pp": [32, 81], "pr": 19, "practic": [3, 5, 7, 68], "pre": [2, 16, 32], "preambl": 68, "preced": [26, 50], "precis": [7, 68], "predecessor": 68, "predomin": 93, "prefer": [1, 7, 68, 107], "prefix": [2, 67], "preliminari": 5, "prepar": [47, 107, 108], "prepareadvector": 6, "prepend": [75, 94], "presenc": 99, "present": [46, 48, 57, 60, 63, 64, 67, 68, 74, 75, 85, 86, 93, 95, 97], "preserv": 68, "press": 108, "prevent": [23, 41, 68, 75], "previou": [6, 46, 68, 93], "previous": [7, 18, 93], "price": 68, "primarili": [68, 81], "print": [1, 3, 15], "prior": 68, "privat": 68, "privileg": 15, "probabl": [6, 14], "problem": [1, 3, 56, 68, 93, 107], "procedur": [6, 68, 107], "process": [2, 3, 15, 71, 75, 77, 93, 104, 105, 107, 108], "process_simul": 18, "processmodel": 18, "procur": 68, "prod_": 95, "prod_i": 96, "produc": [1, 53, 68, 98, 104], "product": [68, 95], "product_outlet": 18, "profil": [2, 3, 18, 26, 50, 56, 57, 62, 75, 94, 97, 101, 107, 108], "program": [15, 68], "programm": 68, "prohibit": 68, "project": [4, 19], "projecttarget": 4, "promin": [68, 75, 100], "promot": 2, "prompt": 15, "propag": 68, "properli": [6, 75], "properti": [56, 68, 104, 108], "proport": [75, 95], "proprietari": 68, "prot": 72, "protect": 68, "protein": [20, 23, 24, 25, 32, 39, 41, 81, 88, 108], "protocol": 68, "prove": 68, "proven": 2, "provid": [1, 2, 3, 4, 6, 7, 13, 14, 15, 16, 17, 18, 19, 58, 67, 68, 75, 95, 99, 101, 107], "provis": 68, "provision": 68, "proxi": 68, "pseudo": [3, 18, 81, 93, 100, 101, 105], "pub": 108, "public": [2, 5, 7, 19, 56, 68], "publicli": [2, 68], "publish": 68, "pubm": 108, "pull": [5, 19], "puls": [3, 101], "pump": 19, "pure": [59, 98, 99, 107], "purif": 108, "purpos": [1, 2, 3, 18, 68, 107], "pursuant": 68, "push": 0, "put": 53, "py": 7, "pyplot": 3, "python": [2, 5, 7, 17, 18, 19], "p\u00fcttmann": 19, "q": [2, 3, 18, 57, 69, 71, 72, 75, 80, 83, 84, 86, 88, 90, 93, 103, 108], "q_": [69, 70, 72, 73, 74, 75, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 88, 89, 90, 93, 99, 107], "q_0": [57, 72, 77, 86, 88, 90, 93], "q_1": [57, 93], "q_2": [57, 93], "q_3": [57, 93], "q_i": [70, 72, 73, 74, 75, 76, 77, 78, 82, 83, 87, 88, 90], "q_j": [70, 72, 73, 74, 75, 77, 78, 82, 84, 85, 88, 90], "q_m": 75, "qmax": 3, "qquad": [75, 86, 93, 107], "quad": [69, 72, 81, 86, 89, 93, 99], "quad_coeff": [3, 57, 62], "quadrat": [23, 38, 40, 57, 62, 87, 88], "qualifi": 68, "qualiti": [6, 68], "quantiti": 3, "quasi": [20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 75, 98, 99, 102, 103], "quickli": 107, "quotient": 75, "r": [0, 2, 6, 38, 40, 43, 49, 52, 54, 57, 58, 59, 60, 62, 63, 64, 65, 67, 75, 81, 94, 95, 96, 97, 99, 101, 102, 103, 104, 107, 108], "r_": [58, 60, 81, 95, 97, 99, 102, 103], "r_i": 32, "rad": [58, 97, 99, 102, 103], "radial": [3, 7, 44, 45, 48, 58, 60, 61, 97, 100], "radial_": 67, "radial_compart": 58, "radial_coordin": 48, "radial_disc_typ": 58, "radial_general_rate_model": [45, 61], "radii": [99, 102, 103], "radioact": 104, "radiu": [26, 32, 50, 58, 60, 63, 67, 81, 97, 99, 102, 103], "radu": 108, "raena": 108, "rais": [3, 15], "rang": [20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 49, 51, 52, 53, 54, 55, 57, 58, 59, 60, 62, 63, 64, 65, 66, 67, 81, 97, 99], "rapid": [3, 18, 75, 108], "rassi": 108, "rate": [1, 2, 19, 20, 21, 23, 24, 25, 27, 28, 29, 30, 32, 33, 36, 37, 39, 40, 41, 44, 45, 51, 52, 56, 57, 59, 61, 65, 67, 72, 75, 81, 89, 91, 92, 94, 96, 98, 100, 107], "rather": [3, 56, 60, 63, 64], "ratio": [32, 81, 99, 103, 104], "rdm": 7, "re": 6, "reach": 56, "react": [2, 91, 94, 95, 96, 97, 98, 99, 102, 103, 104], "reactant": 95, "reaction": [2, 6, 9, 44, 45, 46, 51, 52, 54, 58, 59, 60, 63, 64, 65, 91, 92, 95, 96, 98, 99, 104, 107], "reaction_bulk": [58, 59, 60, 63, 65], "reaction_model": [51, 52, 59, 64], "reaction_model_bulk": [58, 60, 63, 65], "reaction_model_particl": [58, 59, 60, 63], "reaction_model_particles_multiplex": [58, 59, 60, 63], "reaction_particl": [50, 58, 59, 60, 63], "reaction_particle_000": 50, "reaction_particle_xxx": [58, 59, 60, 63], "reaction_particle_yyi": 50, "reactor": [18, 19, 44, 45, 61, 100, 103], "read": [6, 7, 26, 46, 50, 68], "readabl": 68, "readi": [6, 68], "readili": 68, "realationship": 2, "realiti": 56, "realiz": [56, 97], "realli": [75, 94], "reason": [3, 17, 68, 99], "rebuild": 6, "receipt": 68, "receiv": [68, 93], "recent": [13, 14, 15, 19, 44], "recipi": 68, "recogn": [46, 68], "recommend": [5, 6, 7, 15, 17, 19, 44, 45, 60, 63, 64, 75], "reconstruct": [3, 44, 45, 56, 58, 60, 63, 64, 65, 67], "record": 2, "recreat": 7, "rectangular": 3, "recycl": 105, "redistribut": 68, "reduc": [3, 6, 56, 74, 107], "ref": [50, 69, 72, 75, 86, 88, 90], "refer": [3, 5, 6, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 33, 34, 35, 36, 37, 38, 39, 40, 41, 46, 56, 58, 59, 60, 62, 63, 64, 65, 66, 67, 68, 69, 72, 86, 88, 90, 92, 93, 104, 107], "refin": [5, 44, 45], "reflect": [13, 14, 15, 56], "refrain": 68, "regard": [7, 68], "regardless": [68, 93], "regener": 68, "regist": 6, "registerexamplemodel": 6, "registerlinearmodel": 6, "registernewmodel": 6, "registeryourmodelnamemodel": 6, "regular": [58, 65], "reinstat": 68, "rel": [7, 55, 58, 60, 107], "relat": [3, 18, 60, 75, 92], "relationship": [2, 68, 107], "releas": [0, 1, 7, 15, 19, 68], "release_with_debug_info": 1, "release_with_test": 1, "releaseci": 7, "relev": [6, 46, 56, 68, 75, 104, 107], "reli": 68, "relicens": 68, "reltol": [3, 55, 107], "reltol_sen": 55, "remain": [3, 68, 70, 99], "remedi": 107, "rememb": 104, "remov": [48, 68, 98, 103, 104, 108], "renam": 6, "render": 68, "repair": 68, "reparameter": [75, 95], "replac": [26, 50, 67, 75, 81, 99], "report": [19, 56], "repositori": [0, 19], "repres": [2, 46, 68, 72, 81, 93, 97, 99, 101, 104], "represent": 75, "reproduc": [6, 7], "request": [5, 19, 46, 107], "requir": [0, 1, 2, 3, 6, 7, 15, 18, 19, 21, 42, 46, 49, 56, 58, 60, 63, 64, 65, 68, 69, 70, 71, 72, 73, 74, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 93, 94, 105, 107], "requiredaddir": 6, "rerun": 7, "research": [5, 6, 7], "reset": 107, "resid": [9, 108], "residu": [6, 107], "residualimpl": 6, "residualtyp": 6, "resin": [23, 32, 37, 39, 40, 41, 81, 82], "resist": [99, 102], "resolut": [6, 7, 56, 107], "resolv": [56, 68], "reson": 104, "respect": [2, 3, 6, 20, 24, 25, 26, 50, 57, 67, 68, 69, 72, 75, 77, 86, 88, 90, 93, 94, 95, 99, 102, 103, 104, 107], "respons": 68, "rest": 105, "restart": [3, 57, 58, 60, 63, 107], "restrict": [3, 18, 68, 93], "restrunn": 1, "result": [5, 6, 19, 46, 56, 68, 75, 97, 98, 99, 104, 107], "resulta": 7, "retain": 68, "retriev": 108, "return": [3, 6, 7, 15, 44, 45, 48, 68, 97, 99], "returncod": 3, "reus": 7, "revers": [97, 99, 108], "review": [68, 108], "revis": 68, "rfloor": [60, 63, 64], "rgen": 108, "rho": [97, 99, 102, 103, 104], "rho_": 97, "rho_k": 97, "right": [2, 60, 68, 69, 70, 71, 72, 73, 74, 75, 77, 78, 79, 81, 82, 84, 85, 86, 88, 89, 90, 91, 94, 95, 97, 98, 99, 101, 102, 103, 104, 107], "rightarrow": [56, 71, 75, 97, 99, 104], "rigor": [6, 7], "risk": 68, "robust": 2, "role": 56, "rom": 68, "ronald": 108, "root": [3, 6, 7, 14, 46], "row": [3, 37, 46, 48, 51, 57, 93, 104], "royalti": 68, "rpath": 1, "rse": 5, "rule": [54, 68], "run": [0, 1, 2, 4, 5, 6, 13, 15, 60, 68, 98, 107], "runner": 7, "runtim": 1, "rvert": 89, "rwth": 2, "s0009250915006168": 108, "s0021": 108, "s0021967301964374": 108, "s0021967301994579": 108, "s0021967304014554": 108, "s0021967309010103": 108, "s0021967316310263": 108, "s0021967319308659": 108, "s0021967322005830": 108, "s0022519313004530": 108, "s0168": 108, "s1": 108, "s10337": 108, "s_": [53, 91, 93, 95, 97, 98, 99, 102, 103], "s_j": [2, 91, 95, 98, 99, 102], "safest": 68, "safeti": [57, 58, 60, 63], "sai": [3, 15, 68], "sai_ka1": 39, "sai_ka2": 39, "sai_kd": 39, "sai_lambda": 39, "sai_nu": 39, "sai_refc0": 39, "sai_refq": 39, "sai_sigma": 39, "sake": [26, 49, 50, 68, 104], "sale": 68, "salt": [20, 23, 24, 25, 32, 37, 39, 40, 41, 60, 69, 72, 73, 74, 75, 77, 86, 90, 108], "same": [6, 7, 14, 18, 21, 56, 57, 58, 59, 60, 63, 64, 67, 68, 69, 75, 79, 82, 85, 86, 89, 93, 94, 99, 102, 103, 104, 105, 107], "sampl": 3, "samuel": [2, 108], "saniti": 3, "saska": [26, 45, 75, 108], "saska_h": 38, "saska_k": 38, "satisfi": [68, 107], "satur": [52, 82, 96, 99], "save": 3, "scalar": [6, 46, 107], "scale": [75, 108], "scenario": 56, "scheme": [3, 43, 53, 56, 58, 60, 104], "schmidt": [57, 58, 60, 63], "schneider": 108, "schnittert": [19, 108], "school": 68, "schur": [57, 58, 60, 63], "schur_safeti": [3, 57, 58, 60, 63], "scienc": [19, 104, 108], "sciencedirect": 108, "scientif": [7, 19, 107], "scope": [6, 49, 68], "scratch": 16, "screen": [32, 81], "script": [6, 7, 15, 68], "seal": 99, "search": 1, "sebastian": 108, "sec": [55, 93, 99], "sec_000": 3, "sec_xxx": [45, 61], "secidx": 6, "second": [3, 18, 36, 58, 59, 60, 63, 64, 65, 72, 81, 85, 89, 104, 107], "secondarili": 68, "sect": 101, "section": [2, 5, 6, 7, 16, 17, 18, 26, 44, 45, 50, 54, 56, 57, 58, 59, 60, 63, 64, 65, 67, 68, 69, 70, 71, 72, 75, 77, 78, 79, 85, 86, 88, 89, 90, 92, 93, 94, 97, 99, 102, 103, 104, 105], "section_continu": [3, 55, 107], "section_tim": [3, 55, 57, 107], "see": [3, 6, 7, 15, 19, 26, 30, 31, 42, 44, 46, 50, 55, 57, 58, 59, 60, 63, 64, 65, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 92, 93, 94, 95, 97, 98, 99, 101, 102, 103, 104, 105, 107], "seed": 107, "seen": [99, 102, 103], "select": [2, 3, 7, 15, 20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 56, 57, 58, 65, 70, 93, 108], "self": [26, 45, 56, 75], "self_associ": 39, "sell": 68, "semiconductor": 68, "send": 97, "sens": [60, 63, 64, 75], "sens_abstol": 54, "sens_boundphas": [54, 57], "sens_bulk": 48, "sens_comp": [54, 57], "sens_factor": [54, 107], "sens_flux": 48, "sens_inlet": 48, "sens_inlet_comp_xxx": 48, "sens_inlet_port_xxx": 48, "sens_inlet_port_xxx_comp_yyi": 48, "sens_method": 54, "sens_nam": 54, "sens_outlet": 48, "sens_outlet_comp_xxx": 48, "sens_outlet_port_xxx": 48, "sens_outlet_port_xxx_comp_yyi": 48, "sens_particl": 48, "sens_particle_partype_xxx": 48, "sens_partyp": [54, 57, 58, 65], "sens_react": [54, 57, 58], "sens_sect": [54, 57, 58, 60, 63], "sens_solid": 48, "sens_solid_partype_xxx": 48, "sens_unit": [54, 57], "sens_volum": 48, "sensdot_bulk": 48, "sensdot_flux": 48, "sensdot_inlet": 48, "sensdot_inlet_comp_xxx": 48, "sensdot_inlet_port_xxx": 48, "sensdot_inlet_port_xxx_comp_yyi": 48, "sensdot_outlet": 48, "sensdot_outlet_comp_xxx": 48, "sensdot_outlet_port_xxx": 48, "sensdot_outlet_port_xxx_comp_yyi": 48, "sensdot_particl": 48, "sensdot_particle_partype_xxx": 48, "sensdot_solid": 48, "sensdot_solid_partype_xxx": 48, "sensdot_volum": 48, "sensit": [2, 6, 19, 26, 44, 45, 50, 53, 55, 57, 58, 60, 63, 65, 108], "senstiv": 57, "separ": [2, 7, 18, 20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 53, 68, 75, 93, 104, 108], "separet": 7, "septemb": 108, "sequenc": [19, 107], "sequenti": [13, 14, 57, 93], "serban": 108, "seri": 16, "serv": [2, 3, 5, 18, 68, 75, 93, 101, 105], "server": 68, "servic": 68, "set": [1, 4, 5, 6, 15, 17, 20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 44, 56, 57, 58, 59, 60, 63, 65, 70, 75, 76, 93, 94, 98, 99, 103, 104, 107], "setup": [7, 93], "seven": 93, "seventh": 93, "sever": [3, 18, 107], "sha1": 47, "shall": [7, 68], "shape": [6, 78, 90, 104], "share": [19, 58, 59, 60, 63, 68], "sharp": [56, 78], "sharpen": 56, "sheet": 18, "shell": [17, 99, 102, 103], "shield": [23, 41, 89, 90], "shift": 101, "shirazi": 108, "short": [68, 75, 93, 100], "shortcom": 56, "should": [1, 3, 6, 7, 26, 49, 50, 55, 56, 58, 60, 63, 68, 99, 107], "show": [3, 56, 68], "shown": [75, 107], "shumak": 108, "side": [6, 99], "sigma": [23, 39, 41, 90], "sigma_": [20, 69, 86, 89], "sigma_j": [72, 75, 88, 90], "sign": [68, 75, 97, 99], "signal": [3, 18, 101], "signific": [68, 107], "silica": 108, "sim": [3, 101], "similar": [6, 68, 69, 88], "similarli": 56, "simpl": [3, 18, 75, 93, 98, 107], "simpler": 107, "simpli": [3, 26], "simplic": 97, "simplifi": [3, 26, 45, 75], "simplified_multistate_steric_mass_act": 40, "simul": [1, 2, 4, 5, 6, 15, 44, 46, 47, 55, 56, 57, 60, 93, 97, 98, 99, 101, 102, 108], "simulation_result": 18, "simulationresult": 18, "simultan": 68, "sinc": [3, 5, 18, 26, 46, 50, 81, 85, 86, 97, 99, 101, 104, 105, 107], "singh": 108, "singl": [7, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 48, 50, 53, 56, 68, 75, 93, 107], "single_as_multi_port": [48, 53], "singular": 81, "sink": [3, 18, 93, 100, 105], "site": [20, 23, 37, 39, 40, 41, 69, 75, 79, 82, 85, 86, 88, 90], "sitemap": 106, "situat": [95, 107], "size": [1, 6, 44, 45, 55, 57, 58, 60, 63, 81, 95, 102, 107], "slab": [58, 60, 63, 99], "slice": 107, "slightli": [56, 74], "slow": [58, 65], "slower": [58, 59, 60, 63, 64, 65], "slowest": 46, "sma": [69, 72, 86, 89], "sma_ka": 41, "sma_kd": 41, "sma_lambda": 41, "sma_nu": 41, "sma_refc0": 41, "sma_refq": 41, "sma_sigma": 41, "small": [43, 56, 71, 93, 99, 107], "smaller": [1, 56, 99, 102, 103, 107], "smb": [93, 105], "smith": 108, "smooth": [44, 45, 60, 63, 64, 101, 107], "smssma_ka": 40, "smssma_kd": 40, "smssma_ksw": 40, "smssma_ksw_lin": 40, "smssma_ksw_quad": 40, "smssma_kw": 40, "smssma_kws_lin": 40, "smssma_kws_quad": 40, "smssma_lambda": 40, "smssma_nu_max": 40, "smssma_nu_min": 40, "smssma_nu_quad": 40, "smssma_refc0": 40, "smssma_refq": 40, "smssma_sigma_max": 40, "smssma_sigma_min": 40, "smssma_sigma_quad": 40, "so": [1, 6, 7, 68, 99, 107], "societi": 108, "softwar": [1, 5, 6, 7, 19, 68, 108], "sold": 68, "soldot_bulk": 48, "soldot_flux": 48, "soldot_inlet": 48, "soldot_inlet_comp_xxx": 48, "soldot_inlet_port_xxx": 48, "soldot_inlet_port_xxx_comp_yyi": 48, "soldot_outlet": 48, "soldot_outlet_comp_xxx": 48, "soldot_outlet_port_xxx": 48, "soldot_outlet_port_xxx_comp_yyi": 48, "soldot_particl": 48, "soldot_particle_partype_xxx": 48, "soldot_solid": 48, "soldot_solid_partype_xxx": 48, "soldot_volum": 48, "sole": [26, 46, 50, 68], "solid": [3, 18, 20, 23, 37, 39, 40, 41, 46, 48, 51, 53, 56, 58, 59, 60, 63, 64, 69, 75, 77, 81, 84, 86, 90, 91, 95, 98, 99, 104, 108], "solut": [2, 3, 18, 19, 23, 41, 44, 45, 49, 53, 55, 57, 60, 63, 64, 92, 95, 99, 102, 103, 104, 107], "solution_bulk": 48, "solution_flux": 48, "solution_inlet": 48, "solution_inlet_comp_xxx": 48, "solution_inlet_port_xxx": 48, "solution_inlet_port_xxx_comp_yyi": 48, "solution_outlet": [3, 48], "solution_outlet_comp_xxx": 48, "solution_outlet_port_xxx": 48, "solution_outlet_port_xxx_comp_yyi": 48, "solution_particl": 48, "solution_particle_partype_xxx": 48, "solution_solid": 48, "solution_solid_partype_xxx": 48, "solution_tim": [3, 48], "solution_volum": 48, "solv": [2, 6, 19, 57, 60, 63, 93, 107], "solvent": 104, "solver": [2, 3, 17, 19, 44, 45, 58, 60, 63, 64, 65, 93, 107, 108], "solver_nam": 42, "some": [1, 2, 3, 5, 6, 7, 14, 26, 46, 49, 50, 56, 68, 70, 75, 88, 90, 93, 95, 99, 105, 107], "sometim": 19, "sourc": [3, 4, 6, 13, 14, 15, 18, 19, 26, 50, 65, 68, 75, 93, 94, 100, 101, 104], "source_xxx": [44, 45], "sp": [20, 21, 23, 24, 25, 27, 28, 29, 30, 31, 33, 34, 35, 36, 37, 38, 39, 40, 41, 46, 48, 58, 59, 60, 63, 64, 95], "space": [56, 57, 58, 60, 63], "span": 107, "spare": 68, "spars": [6, 58, 65], "spatial": [2, 3, 6, 44, 45, 58, 61, 65, 67, 99, 102, 103, 104, 107], "spatial_method": [44, 45, 60, 63, 64], "speak": 68, "speci": [74, 104], "special": [3, 68, 71], "speciefi": 3, "specif": [3, 4, 5, 6, 7, 17, 18, 56, 57, 58, 60, 63, 64, 65, 67, 68, 75, 92, 94, 102, 103, 104], "specifi": [1, 3, 7, 18, 26, 32, 46, 49, 50, 55, 56, 57, 58, 59, 60, 62, 63, 64, 65, 66, 67, 68, 69, 93, 99, 104, 107], "speed": [6, 95], "sphere": [58, 60, 63], "spheric": [99, 102, 103], "sphinx": [0, 106], "sphinx_multivers": 106, "sphinxcontrib": 106, "spirit": 68, "spline": [3, 18, 101], "split": 95, "split_components_data": [3, 48, 53], "split_ports_data": [3, 48, 53], "spread": [26, 45, 75], "springer": 108, "springerlink": 108, "sqrt": 81, "squar": 7, "src": [4, 6, 13, 14, 15], "stabil": [24, 25, 56], "stabl": [2, 19, 43], "stage": 4, "stagger": 107, "stagnant": [99, 102], "stand": 68, "standard": [1, 6, 7, 13, 14, 26, 43, 44, 50, 68, 78, 97, 99, 104], "star": 81, "start": [3, 6, 7, 18, 55, 56, 68, 107], "startup": 7, "state": [2, 3, 6, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 38, 39, 41, 44, 45, 46, 48, 53, 56, 57, 58, 59, 60, 63, 64, 65, 68, 70, 73, 74, 75, 77, 85, 95, 98, 99, 103, 107], "statement": [6, 68], "statetyp": 6, "static": [1, 7, 15], "stationari": [3, 18, 20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 75, 98, 99, 102, 103, 108], "statu": [15, 68], "std": 6, "steep": [56, 60, 63, 64, 107], "stefan": 108, "stem": 104, "step": [1, 2, 4, 5, 6, 15, 16, 18, 55, 68, 93, 101, 105, 108], "steric": [23, 26, 39, 45, 72, 75, 88, 108], "steric_mass_act": 41, "steven": 108, "stiff": 107, "still": [1, 3, 6, 7, 18, 26, 32, 102], "stir": [44, 45, 61, 93, 95, 100], "stirredtankmodel": 6, "stochiometr": 52, "stoichiometr": [50, 51, 95, 96], "stoichiometri": 52, "stop": [3, 4], "storag": [3, 46, 48, 51, 57, 68, 93, 104], "store": [3, 7, 18, 46], "strang": 56, "strategi": [44, 45], "stream": 105, "strength": [71, 81, 86], "strictli": [93, 105], "string": [6, 7, 18, 42, 47, 49, 54, 58, 59, 60, 62, 63, 64, 65, 66, 67], "strong": [56, 86, 107], "stronger": 40, "strongest": 40, "strongli": [6, 7, 19, 40, 86], "structur": [3, 13, 14, 15, 18, 44, 60, 107], "studi": 108, "studio": [1, 4, 7], "style": 5, "subdivid": 68, "subgroup": [58, 59, 60, 63, 64, 65], "subject": [13, 14, 15, 68], "sublicens": 68, "submit": [99, 102, 103], "submodel": 107, "subprogram": 68, "subroutin": 68, "subscript": 46, "subsect": [6, 68], "subsequ": [46, 60], "subsolv": 42, "subspac": [57, 58, 60, 63], "substanti": [68, 107], "substitut": 6, "substrat": [52, 96], "subtract": 104, "successfulli": [3, 107], "sudden": 56, "sudo": 13, "sue": 68, "suffer": 56, "suffic": 68, "suffici": [56, 107], "sugarcan": 108, "suggest": 5, "suit": [1, 108], "suitabl": 95, "suitespars": [58, 65], "sum": [46, 58, 59, 60, 63, 81, 99, 104], "sum_": [37, 58, 60, 63, 69, 70, 72, 75, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 90, 93, 95, 98, 99, 101, 102, 103, 104, 107], "sum_i": [58, 60, 95], "sum_j": [73, 74, 97, 98, 99], "sundial": [1, 2, 107, 108], "superfici": 99, "superlu": [58, 65], "supervis": 19, "supplement": 68, "suppli": [58, 97], "support": [1, 2, 3, 19, 26, 44, 68, 73, 74, 92, 94, 99, 102, 103, 107], "suppos": 46, "suppress": 56, "sure": [6, 7, 68, 98], "surfac": [3, 18, 23, 24, 26, 37, 39, 40, 41, 45, 58, 60, 71, 75, 81, 85, 86, 99, 102, 103, 104, 108], "surface_diffus": 18, "surpass": 56, "surrend": 68, "surviv": 68, "sustain": 68, "sw": 89, "swing": 108, "switch": [3, 32, 57, 92], "switch_000": 3, "switch_xxx": [44, 45, 93], "symmetri": 97, "system": [1, 2, 6, 14, 17, 44, 45, 46, 48, 55, 60, 63, 68, 92, 96, 100, 101, 104, 105, 107, 108], "systemat": 68, "s\u00fcleyman": 108, "t": [2, 3, 6, 26, 50, 52, 53, 56, 57, 69, 70, 72, 73, 74, 75, 76, 77, 78, 79, 82, 85, 86, 87, 88, 90, 93, 94, 96, 97, 98, 99, 101, 102, 103, 104, 107, 108], "t_": [2, 3, 57, 75, 93, 94, 97, 99, 101, 107], "t_0": 107, "t_1": [101, 107], "t_2": 101, "t_i": [3, 107], "t_k": 101, "tab": [44, 107], "tabl": [7, 46, 57, 75, 93, 99, 100, 107], "tail": 78, "take": [1, 15, 26, 50, 55, 68, 75, 82, 87, 90, 104, 107], "taken": [7, 26, 54, 55, 93, 103, 104, 105], "tandfonlin": 108, "tangibl": 68, "tank": [19, 44, 45, 61, 91, 93, 100], "target": 93, "task": 107, "tau": 107, "tbb": [1, 14, 15, 19], "tbbroot": 15, "technic": [6, 104], "techniqu": [19, 75], "technolog": 68, "technologi": 108, "tediou": 17, "tell": 68, "temperatur": [75, 94, 108], "templat": 6, "tend": 71, "tendenc": 56, "tensor": [48, 53], "tentacl": 86, "term": [32, 46, 56, 60, 63, 64, 68, 77, 81, 82, 87, 88, 95, 99, 102, 103, 104, 107], "termin": [13, 68, 93, 105], "test": [1, 5, 55, 107], "test_cas": 7, "testher": 7, "testradialkernel": 7, "testrunn": [1, 7], "text": [2, 7, 15, 23, 32, 37, 38, 48, 69, 70, 71, 72, 75, 76, 77, 78, 79, 80, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 93, 95, 96, 97, 98, 99, 101, 102, 103, 104, 107], "texttt": [26, 47, 48, 49, 50, 51, 52, 53, 54, 55, 57, 58, 59, 60, 62, 63, 64, 65, 66, 67], "th": [3, 20, 48, 57, 99, 108], "than": [3, 14, 17, 19, 48, 56, 57, 58, 60, 63, 68, 75, 99, 102, 103, 107], "thei": [3, 18, 56, 58, 60, 63, 64, 68, 69, 75, 79, 81, 99], "them": [1, 7, 18, 68, 93, 107], "theorem": 56, "theoret": [56, 108], "theori": [56, 107, 108], "therefor": [15, 68, 69, 70, 77, 79, 99, 102, 103, 104], "thermodynam": 108, "thesi": 2, "thi": [1, 2, 3, 4, 5, 6, 7, 14, 15, 16, 17, 18, 19, 21, 26, 32, 44, 46, 48, 50, 53, 56, 57, 58, 59, 60, 63, 64, 65, 67, 68, 70, 71, 73, 74, 75, 77, 80, 81, 83, 84, 85, 87, 88, 92, 93, 94, 95, 96, 97, 99, 102, 104, 105, 107], "thiemo": 108, "thing": [6, 68], "think": 6, "third": [6, 68, 75, 94, 104], "those": [26, 44, 46, 50, 56, 68, 75, 95], "though": [4, 68], "thread": [1, 15, 55], "threaten": 68, "three": [6, 46, 57, 67, 68, 75], "threshold": [32, 81], "through": [1, 4, 19, 68, 97, 99, 102, 103], "throughout": [93, 99], "thrown": 6, "thu": [3, 26, 50, 56, 68, 89, 90, 99, 102, 103, 107], "thumb": 54, "tild": [60, 75], "time": [1, 2, 5, 6, 9, 15, 18, 44, 46, 47, 48, 51, 53, 55, 56, 57, 58, 59, 60, 63, 64, 65, 68, 75, 93, 94, 95, 97, 99, 101, 104, 108], "time_integr": [3, 44, 45, 60, 63, 107], "time_sim": 47, "timepoint": 55, "timer": 1, "timespan": 107, "timestep": 55, "tingyu": 108, "tobia": 108, "togeth": [60, 63, 105, 107], "toler": [3, 7, 54, 55, 56, 107], "tolsma": 108, "tomographi": 104, "too": [68, 107], "took": 47, "tool": [1, 15, 68], "toolkit": 19, "top": [15, 56], "topologi": 93, "tot": 81, "total": [3, 18, 23, 37, 39, 40, 41, 46, 56, 60, 63, 64, 81, 93, 99, 103, 104, 107], "total_poros": 64, "toward": 75, "tracer": 108, "trade": [56, 68], "trademark": 68, "tradeoff": [57, 58, 60, 63], "transact": [68, 108], "transfer": [68, 89, 99, 102], "transform": [75, 95], "transit": [3, 55, 93], "translat": [7, 18], "transmiss": 68, "transport": [1, 2, 3, 6, 18, 44, 45, 61, 67, 75, 97, 99, 100, 102, 103, 108], "treament": 71, "treat": [6, 46, 53, 58, 60, 63, 64, 65, 68], "treati": 68, "treatment": 56, "tri": 107, "trigger": [6, 93], "triplet": 1, "troubl": 6, "true": [3, 14, 18, 58, 60], "truncat": 107, "try": [3, 6], "tt": [26, 50], "ttmann": [6, 108], "ttt": [26, 50], "tube": [19, 93], "tune": 56, "turn": [90, 93], "tutori": [3, 16, 18], "twice": 93, "two": [3, 6, 17, 44, 45, 47, 56, 60, 61, 63, 64, 68, 69, 75, 79, 81, 85, 89, 93, 99, 100, 104, 107], "txt": [0, 4, 6, 7], "type": [4, 6, 7, 20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 64, 65, 67, 68, 69, 75, 79, 85, 91, 94, 98, 100, 102, 107], "typic": [3, 7, 19, 56, 68], "u": [2, 19, 97, 99, 102, 103, 104], "u_": [97, 99], "u_k": 97, "u_l": 104, "ultim": 56, "umfpack": [58, 65], "unaccept": 68, "unavoid": 19, "unbalanc": 105, "undefin": 56, "under": [4, 19, 56, 67, 68, 95, 108], "underbrac": [86, 99], "undergo": 104, "underli": [1, 56, 60, 63, 64], "underresolv": 56, "unfortun": 56, "uniqu": [6, 7], "unit": [3, 5, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 44, 45, 47, 48, 49, 50, 53, 54, 55, 58, 59, 60, 63, 64, 65, 67, 75, 92, 94, 97, 98, 99, 101, 105, 107], "unit_000": 3, "unit_001": 3, "unit_002": 3, "unit_typ": [3, 45, 61, 62, 66], "unit_xxx": [20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 44, 45, 50, 51, 52, 61], "unit_yyi": 44, "unitopid": [3, 57], "unitopord": 48, "unknown": 56, "unless": [15, 57, 68], "unlik": 107, "unlimit": [55, 68], "unmodifi": [60, 68], "unnecessari": 68, "unordered_map": 6, "unpack": 68, "unphys": 98, "unreason": 98, "unset": 1, "unsign": 6, "unspecifi": 46, "unstabl": 43, "unsur": 3, "until": [56, 68, 93], "unus": 57, "up": [2, 5, 6, 17, 90, 93, 97, 108], "updat": [1, 6, 13, 14, 44, 68, 107], "upgrad": 19, "uppercas": 46, "uptak": 98, "upwind": [3, 43], "url": 108, "us": [0, 1, 2, 3, 4, 5, 6, 7, 13, 14, 15, 17, 18, 19, 26, 32, 44, 49, 50, 54, 55, 56, 57, 58, 59, 60, 63, 64, 65, 67, 68, 70, 71, 75, 77, 81, 90, 93, 94, 95, 97, 98, 99, 102, 107, 108], "use_analytic_jacobian": [3, 58, 59, 60, 64, 65], "use_modified_newton": [55, 60, 63], "useanalyticjacobian": 6, "user": [2, 6, 56, 68, 98, 99], "user_defin": 58, "user_defined_par": [58, 60], "user_solution_tim": [3, 55, 107], "usual": [3, 7, 60, 67, 95], "util": [1, 7, 19, 93, 108], "v": [4, 7, 53, 91, 98, 99, 102, 103, 104, 108], "v3": 68, "v_": 104, "v_1": 104, "v_2": 104, "v_n": 104, "valid": [6, 7, 17, 26, 46, 50, 55, 58, 60, 63, 64, 65, 68, 104], "valu": [3, 6, 7, 17, 20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 44, 46, 49, 55, 56, 57, 58, 59, 60, 63, 64, 65, 75, 93, 99, 107], "valuabl": 5, "valv": [19, 57, 92], "varepsilon": [43, 71], "varepsilon_": [56, 97, 99, 102], "varepsilon_c": [97, 99, 103], "varepsilon_p": 103, "varepsilon_t": [103, 104], "vari": [26, 81, 93, 97, 98], "variabl": [2, 3, 6, 7, 18, 49, 67, 86, 93, 102, 107], "variant": [1, 21, 26, 50, 60, 63, 64, 71, 80, 83, 84, 100], "variat": 71, "variou": [58, 59, 60, 63, 64, 65, 107], "varphi": 95, "vascular": 104, "vcpkg": [1, 15], "vcpkg_root": 15, "vcxproj": 15, "vdot": [65, 104], "veclib": 14, "vector": [1, 2, 3, 6, 18, 26, 42, 44, 45, 46, 48, 50, 53, 55, 57, 58, 59, 60, 63, 64, 65, 99, 107], "veloc": [2, 46, 49, 57, 58, 60, 63, 64, 65, 67, 93, 102, 103, 104], "velocity_coeff": 67, "velocity_multiplex": [58, 65], "vendor": 1, "verbatim": 68, "veri": [3, 7, 14, 17, 56, 71, 107], "verifi": [6, 7], "versa": 95, "version": [1, 3, 4, 6, 13, 14, 15, 46, 47, 68, 74, 75], "vessel": 95, "via": [2, 6, 14, 17, 19, 56, 81, 93, 97, 99, 107], "vice": 95, "view": 68, "violat": 68, "visibl": 68, "visual": [1, 4, 7], "void": [6, 68], "volum": [3, 18, 45, 46, 48, 51, 53, 54, 56, 58, 59, 61, 65, 68, 81, 91, 93, 97, 98, 99, 102, 103, 104], "volumetr": [2, 3, 57, 67, 93, 97, 99, 102, 103, 104], "von": [19, 108], "w": [6, 52, 68, 89, 96, 104], "wa": [2, 3, 4, 7, 47, 53, 68, 74, 104], "wai": [1, 6, 7, 15, 26, 46, 50, 68, 71, 78, 107], "wait": 15, "waiv": 68, "waiver": 68, "wall": [56, 99, 102, 103], "wang": [74, 108], "want": [3, 6, 7, 15, 17, 18, 68], "warranti": 68, "wash": [3, 9, 46], "water": [23, 26, 45, 75, 108], "wayn": 108, "we": [1, 2, 3, 4, 5, 6, 7, 15, 17, 18, 19, 49, 56, 60, 63, 64, 67, 68, 75, 100, 104], "weak": 86, "weaken": 95, "weaker": 40, "weakest": 40, "weakli": 40, "web": 19, "weight": [43, 93], "welcom": 68, "well": [2, 6, 7, 18, 56, 68, 95, 98, 107], "weno": [3, 44, 45, 56, 58, 60, 63, 64, 65], "weno_ep": [3, 43], "weno_ord": [3, 43], "went": 6, "were": [68, 107], "wessl": 108, "westerberg": 108, "what": 68, "whatev": 68, "when": [1, 3, 5, 6, 7, 18, 26, 46, 50, 56, 58, 60, 63, 64, 65, 68, 71, 75, 93, 98, 99, 107], "where": [2, 3, 6, 15, 17, 18, 26, 50, 56, 57, 60, 68, 69, 71, 72, 75, 77, 81, 86, 88, 90, 93, 94, 95, 96, 97, 98, 99, 101, 102, 103, 104, 107], "wherea": [46, 95, 97, 99, 107], "whether": [3, 49, 53, 55, 57, 58, 59, 60, 63, 64, 65, 68, 75, 93, 98], "which": [1, 2, 3, 6, 7, 14, 17, 18, 19, 26, 46, 47, 48, 53, 55, 56, 57, 67, 68, 70, 72, 75, 76, 77, 81, 85, 86, 88, 90, 93, 95, 96, 97, 98, 99, 101, 104, 107], "while": [1, 46, 56, 60, 63, 64, 75, 93, 94, 97, 104, 107], "whitlei": 108, "who": [19, 68], "whole": [68, 107], "whom": 68, "whose": [6, 68], "why": [7, 56, 68], "wide": [7, 68], "wilei": 108, "william": 108, "window": [1, 2, 17, 19, 68], "wipo": 68, "wise": 56, "wish": 68, "within": [6, 7, 15, 56, 60, 63, 68, 104], "without": [3, 6, 7, 14, 15, 44, 45, 57, 59, 61, 67, 68, 69, 70, 73, 74, 77, 79, 98, 99, 100], "won": 56, "woodward": 108, "work": [19, 44, 56, 68, 93, 107], "workload": 15, "workspac": 6, "worldwid": 68, "would": [68, 99, 107], "wrap": 2, "write": [3, 5, 6, 53, 68, 93], "write_coordin": 53, "write_sens_bulk": 53, "write_sens_flux": 53, "write_sens_inlet": 53, "write_sens_last": [48, 53], "write_sens_last_unit": 53, "write_sens_outlet": 53, "write_sens_particl": 53, "write_sens_solid": 53, "write_sens_volum": 53, "write_sensdot_bulk": 53, "write_sensdot_flux": 53, "write_sensdot_inlet": 53, "write_sensdot_outlet": 53, "write_sensdot_particl": 53, "write_sensdot_solid": 53, "write_sensdot_volum": 53, "write_soldot_bulk": 53, "write_soldot_flux": 53, "write_soldot_inlet": 53, "write_soldot_outlet": 53, "write_soldot_particl": 53, "write_soldot_solid": 53, "write_soldot_volum": 53, "write_solution_bulk": [3, 53], "write_solution_flux": 53, "write_solution_inlet": [3, 53], "write_solution_last": [48, 53], "write_solution_last_unit": [48, 53], "write_solution_outlet": [3, 53], "write_solution_particl": 53, "write_solution_solid": 53, "write_solution_tim": [48, 53], "write_solution_volum": 53, "written": [5, 46, 48, 68], "wrong": [3, 6, 7, 26, 50], "wu": 108, "www": [68, 108], "x": [6, 14, 19, 49, 75, 104, 108], "x64": [1, 15], "x86": 15, "xlabel": 3, "xml": [19, 44], "xu": 108, "xuankuo": 108, "xxx": [26, 48, 50, 57, 75, 94], "xxx_comp_000": 53, "xxx_comp_001": 53, "xxx_ka": 75, "xxx_ka_t": 75, "xxx_ka_tt": 75, "xxx_ka_ttt": 75, "xxx_kfwd": 94, "xxx_kfwd_t": 94, "xxx_kfwd_tt": 94, "xxx_kfwd_ttt": 94, "xxx_port_000": 53, "xxx_port_001": 53, "xxx_refc0": 26, "xxx_refq": 26, "xxx_yyi": [26, 50], "xyz": 46, "y": [2, 6, 13, 107], "y_": 107, "y_0": 107, "ycp": 6, "ye": 32, "year": [6, 68], "yet": [3, 49], "yield": [56, 93], "ylabel": 3, "you": [3, 4, 5, 6, 7, 13, 14, 15, 17, 19, 46, 56, 68], "your": [5, 6, 13, 15, 68], "youremodelnam": 6, "yourmodelnamebind": 6, "yourself": 68, "yukawa": 81, "yyi": [26, 48, 50], "y\u00fcce": 108, "z": [2, 97, 99, 102, 103, 104, 108], "zero": [43, 56, 60, 81, 104, 107], "ziad": 108, "zone": [58, 97], "\u00e1": 108, "\u00fc": 108, "\u010d": 108}, "titles": ["CADET Documentation", "CADET build options", "Software Architecture", "CADET-Python Introduction", "CADET-Core debugging", "Developer Guide", "Model Expansion", "CADET-Core testing", "Batch chromatography", "Examples", "Load Wash Elute", "Chemical reactions", "Residence time distributions", "Build for Linux", "Build for OSX", "Build for MS Windows", "Getting started", "Installation", "CADET Introduction", "CADET", "Bi Steric Mass Action", "Extended Mobile Phase Modulator Langmuir", "Freundlich LDF", "Generalized Ion Exchange", "HIC Constant Water Activity", "HIC Water on Hydrophobic Surfaces", "Binding models", "Linear", "Mobile Phase Modulator Langmuir", "Multi Component Anti-Langmuir", "Multi Component Bi-Langmuir", "Multi Component Bi-Langmuir LDF", "Multi Component Colloidal", "Multi Component Langmuir", "Multi Component Langmuir LDF", "Multi Component Langmuir LDF Liquid Phase", "Multi Component Spreading", "Multi-State Steric Mass Action", "Saska", "Self Association", "Simplified Multi-State Steric Mass Action", "Steric Mass Action", "Nonlinear solver for consistent initialization", "Flux reconstruction methods", "Interface specifications", "Input Group", "Introduction", "Meta Group", "Output Group", "Parameter Dependencies", "Reaction models", "Mass Action Law", "Michaelis Menten kinetics", "Return data", "Parameter Sensitivities", "Solver Configuration", "Spatial discretization methods", "System of unit operations", "Two dimensional general rate model", "Continuous stirred tank reactor model", "General Rate Model", "Unit Operations", "Inlet", "Lumped rate model with pores", "Lumped Rate Model Without Pores", "Multichannel Transport model (MCT model)", "Outlet", "Radial Flow Models", "License", "Bi Steric Mass Action", "Extended Mobile Phase Modulator Langmuir", "Freundlich LDF", "Generalized Ion Exchange", "HIC Constant Water Activity", "HIC Water on Hydrophobic Surfaces", "Binding models", "Linear", "Mobile Phase Modulator Langmuir", "Multi Component Anti-Langmuir", "Multi Component Bi-Langmuir", "Multi Component Bi-Langmuir LDF", "Multi Component Colloidal", "Multi Component Langmuir", "Multi Component Langmuir LDF", "Multi Component Langmuir LDF Liquid Phase", "Multi Component Spreading", "Multi-State Steric Mass Action", "Saska", "Self Association", "Simplified Multi-State Steric Mass Action", "Steric Mass Action", "&lt;no title&gt;", "Modelling", "Networks of unit operations", "Reaction models", "Mass action law", "Michaelis Menten kinetics", "Two Dimensional General rate model (GRM2D)", "Continuous stirred tank reactor model (CSTR)", "General rate model (GRM)", "Unit operation models", "Inlet", "Lumped rate model with pores (LRMP)", "Lumped rate model without pores (LRM)", "Multichannel Transport model (MCT model)", "Outlet", "&lt;no title&gt;", "Simulation", "Bibliography"], "titleterms": {"0": 3, "1": [3, 18], "1d": 46, "2": 3, "3": [3, 18], "4": [3, 18], "acknowledg": 19, "action": [20, 37, 40, 41, 51, 69, 86, 89, 90, 95], "activ": [24, 73], "ad": 7, "adapt": 107, "adsorpt": [3, 18], "algorithm": 6, "anti": [29, 78], "architectur": 2, "associ": [39, 88], "assumpt": 2, "backward": 95, "base": 15, "batch": 8, "bi": [20, 30, 31, 69, 79, 80], "bibliographi": 108, "binari": 17, "bind": [6, 26, 75, 104], "bug": 19, "build": [1, 13, 14, 15], "built": 17, "cadet": [0, 1, 3, 4, 7, 13, 14, 15, 17, 18, 19], "capabl": 2, "case": 104, "chemic": 11, "choic": 56, "chromatographi": [8, 99], "cite": 19, "clink": 15, "cmakeset": 1, "code": 15, "colloid": [32, 81], "column": 18, "command": 15, "common": 46, "compon": [26, 29, 30, 31, 32, 33, 34, 35, 36, 78, 79, 80, 81, 82, 83, 84, 85], "concentr": 75, "condit": [3, 18], "configur": 55, "connect": [3, 18, 57, 93], "consist": [42, 107], "consistency_solv": 42, "constant": [24, 73, 75, 95], "continu": [59, 98], "converg": 56, "coordin": 48, "core": [4, 7, 17], "correl": [49, 95], "cstr": [59, 98], "data": [46, 53], "dataset": 46, "debug": 4, "default": [60, 63, 64], "depend": [13, 14, 26, 46, 49, 50, 75, 94], "descript": 46, "detail": [2, 56], "develop": [5, 19], "dg": 56, "differ": [75, 100], "differenti": 6, "dimension": [46, 58, 97], "direct": [97, 99], "discontinu": [60, 63, 64], "discret": [3, 42, 43, 56, 58, 60, 63, 64, 65, 67], "distribut": 12, "document": 0, "donat": 19, "drive": 75, "dynam": 93, "elut": 10, "equilibrium": 75, "exampl": 9, "exchang": [23, 72], "exclus": 99, "exercis": 3, "expans": 6, "extend": [21, 70], "extern": [26, 50, 57, 75, 94], "extfun_typ": 57, "featur": [2, 19, 75, 100], "file": [44, 46], "finit": [60, 63, 64], "flow": [67, 93, 97, 99, 102, 103], "flux": 43, "forc": 75, "format": [44, 46], "forward": 95, "freundlich": [22, 71], "from": [15, 17], "frontend": 17, "function": [75, 94], "galerkin": [60, 63, 64], "gener": [3, 18, 23, 58, 60, 72, 97, 99], "general_rate_model": 60, "general_rate_model_2d": 58, "geometri": 99, "get": 16, "global": 46, "grm": 99, "grm2d": 97, "group": [42, 43, 45, 46, 47, 48, 49, 53, 54, 55, 56, 57, 58, 59, 60, 62, 63, 64, 65, 66, 67], "guid": 5, "hic": [24, 25, 73, 74], "hydrophob": [25, 74], "identifi": 46, "implement": [2, 7], "initi": [3, 18, 42, 107], "inlet": [3, 18, 62, 101], "input": [42, 43, 45, 46, 49, 53, 54, 55, 56, 57, 58, 59, 60, 62, 63, 64, 65, 66, 67], "instal": [13, 17, 19], "intel": 15, "interfac": 44, "introduct": [3, 18, 46], "ion": [23, 72], "joint": 107, "json": 1, "kinet": [52, 96, 104], "langmuir": [21, 28, 29, 30, 31, 33, 34, 35, 70, 77, 78, 79, 80, 82, 83, 84], "lapack": [13, 14], "law": [51, 95], "ldf": [22, 31, 34, 35, 71, 75, 80, 83, 84], "licens": 68, "line": 15, "linear": [27, 75, 76, 93, 104], "linear_interp_data": 57, "linux": 13, "liquid": [35, 84], "load": 10, "lrm": 103, "lrmp": 102, "lump": [63, 64, 102, 103, 104], "lumped_rate_model_with_por": 63, "lumped_rate_model_without_por": 64, "m": 15, "mainten": 7, "manufactur": 7, "mass": [20, 37, 40, 41, 51, 69, 86, 89, 90, 95], "matrix": 75, "mct": [65, 104], "menten": [52, 96], "meta": 47, "method": [43, 56, 60, 63, 64], "micha": [52, 96], "mobil": [21, 28, 70, 77], "model": [3, 6, 7, 18, 26, 42, 43, 46, 49, 50, 56, 57, 58, 59, 60, 62, 63, 64, 65, 66, 67, 75, 92, 94, 97, 98, 99, 100, 102, 103, 104], "modul": [21, 28, 70, 77], "multi": [29, 30, 31, 32, 33, 34, 35, 36, 37, 40, 46, 78, 79, 80, 81, 82, 83, 84, 85, 86, 89], "multi_channel_transport": 65, "multichannel": [65, 104], "multipl": [26, 50, 99], "network": 93, "non": 26, "nonlinear": 42, "notat": 46, "note": 56, "numer": [7, 60, 63, 64], "oneapi": 15, "ongo": 19, "oper": [2, 6, 46, 57, 61, 93, 100], "option": [1, 15], "order": [46, 56], "osx": 14, "outlet": [3, 66, 105], "output": 48, "param_xxx": [48, 54], "paramet": [43, 46, 49, 54, 56, 107], "paramt": 42, "particl": [26, 50, 99], "phase": [21, 28, 35, 70, 77, 84], "piecewise_cubic_poli": 57, "plant": 104, "plot": [3, 18], "pore": [63, 64, 102, 103, 104], "pre": 17, "preliminari": 3, "prepar": 15, "prerequisit": [13, 14, 15], "procedur": 7, "process": [17, 18], "properti": 18, "public": 6, "python": 3, "radial": [67, 99, 102, 103], "radial_general_rate_model": 67, "rate": [3, 18, 58, 60, 63, 64, 93, 95, 97, 99, 102, 103, 104], "reaction": [11, 50, 94], "reactor": [59, 98], "recommend": 56, "reconstruct": 43, "refer": [7, 75], "refin": 56, "resid": 12, "result": [3, 15, 18], "return": 53, "run": [3, 7, 18], "saska": [38, 87], "sec_xxx": 62, "section": [3, 46, 55, 107], "self": [39, 88], "sensit": [48, 54, 107], "set": [3, 18], "setup": 107, "simplifi": [40, 89], "simul": [3, 17, 18, 107], "size": [56, 99], "smooth": 56, "softwar": 2, "solut": [7, 48, 56, 93], "solver": [42, 55, 57], "sourc": 17, "source_xxx": 57, "spatial": [56, 60, 63, 64], "spatial_method": 56, "specif": [44, 93, 97, 99, 107], "spread": [36, 85], "start": 16, "state": [37, 40, 49, 86, 89], "step": [3, 107], "steric": [20, 37, 40, 41, 69, 86, 89, 90], "stir": [59, 98], "strategi": 56, "structur": 46, "studio": 15, "submodel": 2, "support": [75, 100], "surfac": [25, 74], "switch": 93, "switch_xxx": 57, "system": [3, 18, 56, 57, 93], "tank": [59, 98], "test": [6, 7, 15], "time": [3, 12, 107], "time_integr": 55, "toolkit": 15, "tracer": 104, "transit": 107, "transport": [65, 104], "two": [58, 97], "type": [26, 50, 62, 66, 99], "unit": [2, 6, 7, 46, 57, 61, 62, 66, 93, 100], "unit_typ": [58, 59, 60, 63, 64, 65, 67], "unit_xxx": [42, 43, 46, 48, 49, 53, 56, 58, 59, 60, 62, 63, 64, 65, 66, 67], "unit_yyi": 48, "unknown": 99, "up": [3, 18], "us": [46, 104], "valv": 93, "variabl": 99, "vector": 56, "veloc": [97, 99], "version": 44, "visual": 15, "volum": [60, 63, 64], "wash": 10, "water": [24, 25, 73, 74], "weno": 43, "window": 15, "without": [64, 103, 104], "your": 7}})
\ No newline at end of file
diff --git a/v4.3.0/.buildinfo b/v4.3.0/.buildinfo
index efce210eb..4d4b6c018 100644
--- a/v4.3.0/.buildinfo
+++ b/v4.3.0/.buildinfo
@@ -1,4 +1,4 @@
 # Sphinx build info version 1
 # This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done.
-config: 6b7902909c0c5d2574ad07464032ddf0
+config: ee7842348a90b8f2d326b616ca62a6ee
 tags: 645f666f9bcd5a90fca523b33c5a78b7
diff --git a/v4.3.0/.doctrees/README.doctree b/v4.3.0/.doctrees/README.doctree
index 19afe22f1..a25a3ae84 100644
Binary files a/v4.3.0/.doctrees/README.doctree and b/v4.3.0/.doctrees/README.doctree differ
diff --git a/v4.3.0/.doctrees/environment.pickle b/v4.3.0/.doctrees/environment.pickle
index a7f993a6f..e28a3f8a4 100644
Binary files a/v4.3.0/.doctrees/environment.pickle and b/v4.3.0/.doctrees/environment.pickle differ
diff --git a/v4.3.0/.doctrees/examples/batch_chromatography.doctree b/v4.3.0/.doctrees/examples/batch_chromatography.doctree
index 9883cb048..117b1bf5e 100644
Binary files a/v4.3.0/.doctrees/examples/batch_chromatography.doctree and b/v4.3.0/.doctrees/examples/batch_chromatography.doctree differ
diff --git a/v4.3.0/.doctrees/examples/index.doctree b/v4.3.0/.doctrees/examples/index.doctree
index ba9ea10be..e82369e4e 100644
Binary files a/v4.3.0/.doctrees/examples/index.doctree and b/v4.3.0/.doctrees/examples/index.doctree differ
diff --git a/v4.3.0/.doctrees/examples/load_wash_elute.doctree b/v4.3.0/.doctrees/examples/load_wash_elute.doctree
index b07ae1f99..50e2ea1f8 100644
Binary files a/v4.3.0/.doctrees/examples/load_wash_elute.doctree and b/v4.3.0/.doctrees/examples/load_wash_elute.doctree differ
diff --git a/v4.3.0/.doctrees/examples/reaction_cstr.doctree b/v4.3.0/.doctrees/examples/reaction_cstr.doctree
index 59f9435e4..08f47b125 100644
Binary files a/v4.3.0/.doctrees/examples/reaction_cstr.doctree and b/v4.3.0/.doctrees/examples/reaction_cstr.doctree differ
diff --git a/v4.3.0/.doctrees/examples/rtd.doctree b/v4.3.0/.doctrees/examples/rtd.doctree
index 60716c774..7770bc065 100644
Binary files a/v4.3.0/.doctrees/examples/rtd.doctree and b/v4.3.0/.doctrees/examples/rtd.doctree differ
diff --git a/v4.3.0/.doctrees/getting_started/build_linux.doctree b/v4.3.0/.doctrees/getting_started/build_linux.doctree
index 8a79e8f6a..d40d03101 100644
Binary files a/v4.3.0/.doctrees/getting_started/build_linux.doctree and b/v4.3.0/.doctrees/getting_started/build_linux.doctree differ
diff --git a/v4.3.0/.doctrees/getting_started/build_osx.doctree b/v4.3.0/.doctrees/getting_started/build_osx.doctree
index 1c9fff0db..03a977b78 100644
Binary files a/v4.3.0/.doctrees/getting_started/build_osx.doctree and b/v4.3.0/.doctrees/getting_started/build_osx.doctree differ
diff --git a/v4.3.0/.doctrees/getting_started/build_windows.doctree b/v4.3.0/.doctrees/getting_started/build_windows.doctree
index f05bae360..52a6a2ba3 100644
Binary files a/v4.3.0/.doctrees/getting_started/build_windows.doctree and b/v4.3.0/.doctrees/getting_started/build_windows.doctree differ
diff --git a/v4.3.0/.doctrees/getting_started/index.doctree b/v4.3.0/.doctrees/getting_started/index.doctree
index c535c1c3a..83b174b32 100644
Binary files a/v4.3.0/.doctrees/getting_started/index.doctree and b/v4.3.0/.doctrees/getting_started/index.doctree differ
diff --git a/v4.3.0/.doctrees/getting_started/installation.doctree b/v4.3.0/.doctrees/getting_started/installation.doctree
index fc323cf11..ac2f0cd50 100644
Binary files a/v4.3.0/.doctrees/getting_started/installation.doctree and b/v4.3.0/.doctrees/getting_started/installation.doctree differ
diff --git a/v4.3.0/.doctrees/getting_started/overview.doctree b/v4.3.0/.doctrees/getting_started/overview.doctree
index 7cbe4e967..bf9dc149f 100644
Binary files a/v4.3.0/.doctrees/getting_started/overview.doctree and b/v4.3.0/.doctrees/getting_started/overview.doctree differ
diff --git a/v4.3.0/.doctrees/getting_started/tutorials/breakthrough.doctree b/v4.3.0/.doctrees/getting_started/tutorials/breakthrough.doctree
index e486faea2..07e2bfbd0 100644
Binary files a/v4.3.0/.doctrees/getting_started/tutorials/breakthrough.doctree and b/v4.3.0/.doctrees/getting_started/tutorials/breakthrough.doctree differ
diff --git a/v4.3.0/.doctrees/index.doctree b/v4.3.0/.doctrees/index.doctree
index 53a811295..8bbf7dc92 100644
Binary files a/v4.3.0/.doctrees/index.doctree and b/v4.3.0/.doctrees/index.doctree differ
diff --git a/v4.3.0/.doctrees/interface/binding/bi_steric_mass_action.doctree b/v4.3.0/.doctrees/interface/binding/bi_steric_mass_action.doctree
index b11b24d9d..70ac59d91 100644
Binary files a/v4.3.0/.doctrees/interface/binding/bi_steric_mass_action.doctree and b/v4.3.0/.doctrees/interface/binding/bi_steric_mass_action.doctree differ
diff --git a/v4.3.0/.doctrees/interface/binding/extended_mobile_phase_modulator_langmuir.doctree b/v4.3.0/.doctrees/interface/binding/extended_mobile_phase_modulator_langmuir.doctree
index 5897b6b1e..a97b677be 100644
Binary files a/v4.3.0/.doctrees/interface/binding/extended_mobile_phase_modulator_langmuir.doctree and b/v4.3.0/.doctrees/interface/binding/extended_mobile_phase_modulator_langmuir.doctree differ
diff --git a/v4.3.0/.doctrees/interface/binding/generalized_ion_exchange.doctree b/v4.3.0/.doctrees/interface/binding/generalized_ion_exchange.doctree
index 4f14536d5..ed0d0dfea 100644
Binary files a/v4.3.0/.doctrees/interface/binding/generalized_ion_exchange.doctree and b/v4.3.0/.doctrees/interface/binding/generalized_ion_exchange.doctree differ
diff --git a/v4.3.0/.doctrees/interface/binding/index.doctree b/v4.3.0/.doctrees/interface/binding/index.doctree
index 9d845b617..b84958c0f 100644
Binary files a/v4.3.0/.doctrees/interface/binding/index.doctree and b/v4.3.0/.doctrees/interface/binding/index.doctree differ
diff --git a/v4.3.0/.doctrees/interface/binding/kumar_langmuir.doctree b/v4.3.0/.doctrees/interface/binding/kumar_langmuir.doctree
index 54e9bf49f..50b207d2f 100644
Binary files a/v4.3.0/.doctrees/interface/binding/kumar_langmuir.doctree and b/v4.3.0/.doctrees/interface/binding/kumar_langmuir.doctree differ
diff --git a/v4.3.0/.doctrees/interface/binding/linear.doctree b/v4.3.0/.doctrees/interface/binding/linear.doctree
index 3321c29ae..1f010e27a 100644
Binary files a/v4.3.0/.doctrees/interface/binding/linear.doctree and b/v4.3.0/.doctrees/interface/binding/linear.doctree differ
diff --git a/v4.3.0/.doctrees/interface/binding/mobile_phase_modulator_langmuir.doctree b/v4.3.0/.doctrees/interface/binding/mobile_phase_modulator_langmuir.doctree
index 48eaf47cf..4d3957b08 100644
Binary files a/v4.3.0/.doctrees/interface/binding/mobile_phase_modulator_langmuir.doctree and b/v4.3.0/.doctrees/interface/binding/mobile_phase_modulator_langmuir.doctree differ
diff --git a/v4.3.0/.doctrees/interface/binding/multi_component_anti_langmuir.doctree b/v4.3.0/.doctrees/interface/binding/multi_component_anti_langmuir.doctree
index c634ee5d9..6eef74e4b 100644
Binary files a/v4.3.0/.doctrees/interface/binding/multi_component_anti_langmuir.doctree and b/v4.3.0/.doctrees/interface/binding/multi_component_anti_langmuir.doctree differ
diff --git a/v4.3.0/.doctrees/interface/binding/multi_component_bi_langmuir.doctree b/v4.3.0/.doctrees/interface/binding/multi_component_bi_langmuir.doctree
index 4eabfb6f8..cdf97b3ba 100644
Binary files a/v4.3.0/.doctrees/interface/binding/multi_component_bi_langmuir.doctree and b/v4.3.0/.doctrees/interface/binding/multi_component_bi_langmuir.doctree differ
diff --git a/v4.3.0/.doctrees/interface/binding/multi_component_langmuir.doctree b/v4.3.0/.doctrees/interface/binding/multi_component_langmuir.doctree
index 511b6e8dd..cde67e642 100644
Binary files a/v4.3.0/.doctrees/interface/binding/multi_component_langmuir.doctree and b/v4.3.0/.doctrees/interface/binding/multi_component_langmuir.doctree differ
diff --git a/v4.3.0/.doctrees/interface/binding/multi_component_spreading.doctree b/v4.3.0/.doctrees/interface/binding/multi_component_spreading.doctree
index 48df6f27c..a004cf360 100644
Binary files a/v4.3.0/.doctrees/interface/binding/multi_component_spreading.doctree and b/v4.3.0/.doctrees/interface/binding/multi_component_spreading.doctree differ
diff --git a/v4.3.0/.doctrees/interface/binding/multi_state_steric_mass_action.doctree b/v4.3.0/.doctrees/interface/binding/multi_state_steric_mass_action.doctree
index c780c68fc..4fca74634 100644
Binary files a/v4.3.0/.doctrees/interface/binding/multi_state_steric_mass_action.doctree and b/v4.3.0/.doctrees/interface/binding/multi_state_steric_mass_action.doctree differ
diff --git a/v4.3.0/.doctrees/interface/binding/saska.doctree b/v4.3.0/.doctrees/interface/binding/saska.doctree
index fc88c19f5..186ab04df 100644
Binary files a/v4.3.0/.doctrees/interface/binding/saska.doctree and b/v4.3.0/.doctrees/interface/binding/saska.doctree differ
diff --git a/v4.3.0/.doctrees/interface/binding/self_association.doctree b/v4.3.0/.doctrees/interface/binding/self_association.doctree
index cc3ad840e..83b8984aa 100644
Binary files a/v4.3.0/.doctrees/interface/binding/self_association.doctree and b/v4.3.0/.doctrees/interface/binding/self_association.doctree differ
diff --git a/v4.3.0/.doctrees/interface/binding/simplified_multi_state_steric_mass_action.doctree b/v4.3.0/.doctrees/interface/binding/simplified_multi_state_steric_mass_action.doctree
index ececde176..a5739f609 100644
Binary files a/v4.3.0/.doctrees/interface/binding/simplified_multi_state_steric_mass_action.doctree and b/v4.3.0/.doctrees/interface/binding/simplified_multi_state_steric_mass_action.doctree differ
diff --git a/v4.3.0/.doctrees/interface/binding/steric_mass_action.doctree b/v4.3.0/.doctrees/interface/binding/steric_mass_action.doctree
index 86a0c36f4..ea839ce1a 100644
Binary files a/v4.3.0/.doctrees/interface/binding/steric_mass_action.doctree and b/v4.3.0/.doctrees/interface/binding/steric_mass_action.doctree differ
diff --git a/v4.3.0/.doctrees/interface/consistent_initialization.doctree b/v4.3.0/.doctrees/interface/consistent_initialization.doctree
index b5fcec250..ca5202ccd 100644
Binary files a/v4.3.0/.doctrees/interface/consistent_initialization.doctree and b/v4.3.0/.doctrees/interface/consistent_initialization.doctree differ
diff --git a/v4.3.0/.doctrees/interface/flux_reconstruction.doctree b/v4.3.0/.doctrees/interface/flux_reconstruction.doctree
index 537241cb7..c0925ba38 100644
Binary files a/v4.3.0/.doctrees/interface/flux_reconstruction.doctree and b/v4.3.0/.doctrees/interface/flux_reconstruction.doctree differ
diff --git a/v4.3.0/.doctrees/interface/index.doctree b/v4.3.0/.doctrees/interface/index.doctree
index 21a2e27df..75b57506d 100644
Binary files a/v4.3.0/.doctrees/interface/index.doctree and b/v4.3.0/.doctrees/interface/index.doctree differ
diff --git a/v4.3.0/.doctrees/interface/input_group.doctree b/v4.3.0/.doctrees/interface/input_group.doctree
index 7f23014f0..d9624fe63 100644
Binary files a/v4.3.0/.doctrees/interface/input_group.doctree and b/v4.3.0/.doctrees/interface/input_group.doctree differ
diff --git a/v4.3.0/.doctrees/interface/introduction.doctree b/v4.3.0/.doctrees/interface/introduction.doctree
index 173f5c9bf..f8bd65f68 100644
Binary files a/v4.3.0/.doctrees/interface/introduction.doctree and b/v4.3.0/.doctrees/interface/introduction.doctree differ
diff --git a/v4.3.0/.doctrees/interface/meta_group.doctree b/v4.3.0/.doctrees/interface/meta_group.doctree
index b4bbe6f6d..371a05375 100644
Binary files a/v4.3.0/.doctrees/interface/meta_group.doctree and b/v4.3.0/.doctrees/interface/meta_group.doctree differ
diff --git a/v4.3.0/.doctrees/interface/output_group.doctree b/v4.3.0/.doctrees/interface/output_group.doctree
index 756dd3bd2..57a2c7bd3 100644
Binary files a/v4.3.0/.doctrees/interface/output_group.doctree and b/v4.3.0/.doctrees/interface/output_group.doctree differ
diff --git a/v4.3.0/.doctrees/interface/reactions.doctree b/v4.3.0/.doctrees/interface/reactions.doctree
index 1d937aa0d..216b91d9c 100644
Binary files a/v4.3.0/.doctrees/interface/reactions.doctree and b/v4.3.0/.doctrees/interface/reactions.doctree differ
diff --git a/v4.3.0/.doctrees/interface/return_data.doctree b/v4.3.0/.doctrees/interface/return_data.doctree
index 8438d7d1f..b0e10aa36 100644
Binary files a/v4.3.0/.doctrees/interface/return_data.doctree and b/v4.3.0/.doctrees/interface/return_data.doctree differ
diff --git a/v4.3.0/.doctrees/interface/sensitivities.doctree b/v4.3.0/.doctrees/interface/sensitivities.doctree
index b293ce2e0..116ccf60c 100644
Binary files a/v4.3.0/.doctrees/interface/sensitivities.doctree and b/v4.3.0/.doctrees/interface/sensitivities.doctree differ
diff --git a/v4.3.0/.doctrees/interface/solver.doctree b/v4.3.0/.doctrees/interface/solver.doctree
index 7fe474769..93cb3ac97 100644
Binary files a/v4.3.0/.doctrees/interface/solver.doctree and b/v4.3.0/.doctrees/interface/solver.doctree differ
diff --git a/v4.3.0/.doctrees/interface/system.doctree b/v4.3.0/.doctrees/interface/system.doctree
index 74beed38b..c3e021646 100644
Binary files a/v4.3.0/.doctrees/interface/system.doctree and b/v4.3.0/.doctrees/interface/system.doctree differ
diff --git a/v4.3.0/.doctrees/interface/unit_operations/2d_general_rate_model.doctree b/v4.3.0/.doctrees/interface/unit_operations/2d_general_rate_model.doctree
index aa11233a0..10fa574b2 100644
Binary files a/v4.3.0/.doctrees/interface/unit_operations/2d_general_rate_model.doctree and b/v4.3.0/.doctrees/interface/unit_operations/2d_general_rate_model.doctree differ
diff --git a/v4.3.0/.doctrees/interface/unit_operations/cstr.doctree b/v4.3.0/.doctrees/interface/unit_operations/cstr.doctree
index b6dc09fc1..059cc13be 100644
Binary files a/v4.3.0/.doctrees/interface/unit_operations/cstr.doctree and b/v4.3.0/.doctrees/interface/unit_operations/cstr.doctree differ
diff --git a/v4.3.0/.doctrees/interface/unit_operations/general_rate_model.doctree b/v4.3.0/.doctrees/interface/unit_operations/general_rate_model.doctree
index 68fefd95b..5a880cf92 100644
Binary files a/v4.3.0/.doctrees/interface/unit_operations/general_rate_model.doctree and b/v4.3.0/.doctrees/interface/unit_operations/general_rate_model.doctree differ
diff --git a/v4.3.0/.doctrees/interface/unit_operations/index.doctree b/v4.3.0/.doctrees/interface/unit_operations/index.doctree
index 3d3f75af0..6a988799b 100644
Binary files a/v4.3.0/.doctrees/interface/unit_operations/index.doctree and b/v4.3.0/.doctrees/interface/unit_operations/index.doctree differ
diff --git a/v4.3.0/.doctrees/interface/unit_operations/inlet.doctree b/v4.3.0/.doctrees/interface/unit_operations/inlet.doctree
index c959c6d4b..37cfb6372 100644
Binary files a/v4.3.0/.doctrees/interface/unit_operations/inlet.doctree and b/v4.3.0/.doctrees/interface/unit_operations/inlet.doctree differ
diff --git a/v4.3.0/.doctrees/interface/unit_operations/lumped_rate_model_with_pores.doctree b/v4.3.0/.doctrees/interface/unit_operations/lumped_rate_model_with_pores.doctree
index a85550691..53870de12 100644
Binary files a/v4.3.0/.doctrees/interface/unit_operations/lumped_rate_model_with_pores.doctree and b/v4.3.0/.doctrees/interface/unit_operations/lumped_rate_model_with_pores.doctree differ
diff --git a/v4.3.0/.doctrees/interface/unit_operations/lumped_rate_model_without_pores.doctree b/v4.3.0/.doctrees/interface/unit_operations/lumped_rate_model_without_pores.doctree
index 0bc73aa6a..bc09f9c29 100644
Binary files a/v4.3.0/.doctrees/interface/unit_operations/lumped_rate_model_without_pores.doctree and b/v4.3.0/.doctrees/interface/unit_operations/lumped_rate_model_without_pores.doctree differ
diff --git a/v4.3.0/.doctrees/interface/unit_operations/outlet.doctree b/v4.3.0/.doctrees/interface/unit_operations/outlet.doctree
index 273c2d7e6..ba77f1a9b 100644
Binary files a/v4.3.0/.doctrees/interface/unit_operations/outlet.doctree and b/v4.3.0/.doctrees/interface/unit_operations/outlet.doctree differ
diff --git a/v4.3.0/.doctrees/license.doctree b/v4.3.0/.doctrees/license.doctree
index 01e85756d..b7db987d1 100644
Binary files a/v4.3.0/.doctrees/license.doctree and b/v4.3.0/.doctrees/license.doctree differ
diff --git a/v4.3.0/.doctrees/modelling/binding/bi_steric_mass_action.doctree b/v4.3.0/.doctrees/modelling/binding/bi_steric_mass_action.doctree
index 0404a4287..1d2a415b4 100644
Binary files a/v4.3.0/.doctrees/modelling/binding/bi_steric_mass_action.doctree and b/v4.3.0/.doctrees/modelling/binding/bi_steric_mass_action.doctree differ
diff --git a/v4.3.0/.doctrees/modelling/binding/extended_mobile_phase_modulator_langmuir.doctree b/v4.3.0/.doctrees/modelling/binding/extended_mobile_phase_modulator_langmuir.doctree
index 7192902d8..79a21fdc7 100644
Binary files a/v4.3.0/.doctrees/modelling/binding/extended_mobile_phase_modulator_langmuir.doctree and b/v4.3.0/.doctrees/modelling/binding/extended_mobile_phase_modulator_langmuir.doctree differ
diff --git a/v4.3.0/.doctrees/modelling/binding/generalized_ion_exchange.doctree b/v4.3.0/.doctrees/modelling/binding/generalized_ion_exchange.doctree
index fca2cbe68..0b4969935 100644
Binary files a/v4.3.0/.doctrees/modelling/binding/generalized_ion_exchange.doctree and b/v4.3.0/.doctrees/modelling/binding/generalized_ion_exchange.doctree differ
diff --git a/v4.3.0/.doctrees/modelling/binding/index.doctree b/v4.3.0/.doctrees/modelling/binding/index.doctree
index a00bfa0f5..4fd259b01 100644
Binary files a/v4.3.0/.doctrees/modelling/binding/index.doctree and b/v4.3.0/.doctrees/modelling/binding/index.doctree differ
diff --git a/v4.3.0/.doctrees/modelling/binding/kumar_langmuir.doctree b/v4.3.0/.doctrees/modelling/binding/kumar_langmuir.doctree
index a861fe973..9dea0c476 100644
Binary files a/v4.3.0/.doctrees/modelling/binding/kumar_langmuir.doctree and b/v4.3.0/.doctrees/modelling/binding/kumar_langmuir.doctree differ
diff --git a/v4.3.0/.doctrees/modelling/binding/linear.doctree b/v4.3.0/.doctrees/modelling/binding/linear.doctree
index c7c986aa8..2173b76df 100644
Binary files a/v4.3.0/.doctrees/modelling/binding/linear.doctree and b/v4.3.0/.doctrees/modelling/binding/linear.doctree differ
diff --git a/v4.3.0/.doctrees/modelling/binding/mobile_phase_modulator_langmuir.doctree b/v4.3.0/.doctrees/modelling/binding/mobile_phase_modulator_langmuir.doctree
index 23095223a..662a51bc6 100644
Binary files a/v4.3.0/.doctrees/modelling/binding/mobile_phase_modulator_langmuir.doctree and b/v4.3.0/.doctrees/modelling/binding/mobile_phase_modulator_langmuir.doctree differ
diff --git a/v4.3.0/.doctrees/modelling/binding/multi_component_anti_langmuir.doctree b/v4.3.0/.doctrees/modelling/binding/multi_component_anti_langmuir.doctree
index 19aafd300..758974267 100644
Binary files a/v4.3.0/.doctrees/modelling/binding/multi_component_anti_langmuir.doctree and b/v4.3.0/.doctrees/modelling/binding/multi_component_anti_langmuir.doctree differ
diff --git a/v4.3.0/.doctrees/modelling/binding/multi_component_bi_langmuir.doctree b/v4.3.0/.doctrees/modelling/binding/multi_component_bi_langmuir.doctree
index b59009c9c..eb74da768 100644
Binary files a/v4.3.0/.doctrees/modelling/binding/multi_component_bi_langmuir.doctree and b/v4.3.0/.doctrees/modelling/binding/multi_component_bi_langmuir.doctree differ
diff --git a/v4.3.0/.doctrees/modelling/binding/multi_component_langmuir.doctree b/v4.3.0/.doctrees/modelling/binding/multi_component_langmuir.doctree
index cd12c6b83..f5b3faef1 100644
Binary files a/v4.3.0/.doctrees/modelling/binding/multi_component_langmuir.doctree and b/v4.3.0/.doctrees/modelling/binding/multi_component_langmuir.doctree differ
diff --git a/v4.3.0/.doctrees/modelling/binding/multi_component_spreading.doctree b/v4.3.0/.doctrees/modelling/binding/multi_component_spreading.doctree
index 959a019e0..7d6eb1272 100644
Binary files a/v4.3.0/.doctrees/modelling/binding/multi_component_spreading.doctree and b/v4.3.0/.doctrees/modelling/binding/multi_component_spreading.doctree differ
diff --git a/v4.3.0/.doctrees/modelling/binding/multi_state_steric_mass_action.doctree b/v4.3.0/.doctrees/modelling/binding/multi_state_steric_mass_action.doctree
index 932d1c970..3a943e398 100644
Binary files a/v4.3.0/.doctrees/modelling/binding/multi_state_steric_mass_action.doctree and b/v4.3.0/.doctrees/modelling/binding/multi_state_steric_mass_action.doctree differ
diff --git a/v4.3.0/.doctrees/modelling/binding/saska.doctree b/v4.3.0/.doctrees/modelling/binding/saska.doctree
index 4b9ded965..86cb50a98 100644
Binary files a/v4.3.0/.doctrees/modelling/binding/saska.doctree and b/v4.3.0/.doctrees/modelling/binding/saska.doctree differ
diff --git a/v4.3.0/.doctrees/modelling/binding/self_association.doctree b/v4.3.0/.doctrees/modelling/binding/self_association.doctree
index f29f73c43..d15a5e058 100644
Binary files a/v4.3.0/.doctrees/modelling/binding/self_association.doctree and b/v4.3.0/.doctrees/modelling/binding/self_association.doctree differ
diff --git a/v4.3.0/.doctrees/modelling/binding/simplified_multi_state_steric_mass_action.doctree b/v4.3.0/.doctrees/modelling/binding/simplified_multi_state_steric_mass_action.doctree
index f5d6824ac..1da3b461f 100644
Binary files a/v4.3.0/.doctrees/modelling/binding/simplified_multi_state_steric_mass_action.doctree and b/v4.3.0/.doctrees/modelling/binding/simplified_multi_state_steric_mass_action.doctree differ
diff --git a/v4.3.0/.doctrees/modelling/binding/steric_mass_action.doctree b/v4.3.0/.doctrees/modelling/binding/steric_mass_action.doctree
index 4a42377a9..8394fec42 100644
Binary files a/v4.3.0/.doctrees/modelling/binding/steric_mass_action.doctree and b/v4.3.0/.doctrees/modelling/binding/steric_mass_action.doctree differ
diff --git a/v4.3.0/.doctrees/modelling/index.doctree b/v4.3.0/.doctrees/modelling/index.doctree
index 94b656145..cae643a41 100644
Binary files a/v4.3.0/.doctrees/modelling/index.doctree and b/v4.3.0/.doctrees/modelling/index.doctree differ
diff --git a/v4.3.0/.doctrees/modelling/networks.doctree b/v4.3.0/.doctrees/modelling/networks.doctree
index 7b6abe533..9d112a06a 100644
Binary files a/v4.3.0/.doctrees/modelling/networks.doctree and b/v4.3.0/.doctrees/modelling/networks.doctree differ
diff --git a/v4.3.0/.doctrees/modelling/reactions.doctree b/v4.3.0/.doctrees/modelling/reactions.doctree
index 7554dcaf4..59013dda5 100644
Binary files a/v4.3.0/.doctrees/modelling/reactions.doctree and b/v4.3.0/.doctrees/modelling/reactions.doctree differ
diff --git a/v4.3.0/.doctrees/modelling/unit_operations/2d_general_rate_model.doctree b/v4.3.0/.doctrees/modelling/unit_operations/2d_general_rate_model.doctree
index e9181b9ca..473c5430e 100644
Binary files a/v4.3.0/.doctrees/modelling/unit_operations/2d_general_rate_model.doctree and b/v4.3.0/.doctrees/modelling/unit_operations/2d_general_rate_model.doctree differ
diff --git a/v4.3.0/.doctrees/modelling/unit_operations/cstr.doctree b/v4.3.0/.doctrees/modelling/unit_operations/cstr.doctree
index e8d03923c..9a3ed11ab 100644
Binary files a/v4.3.0/.doctrees/modelling/unit_operations/cstr.doctree and b/v4.3.0/.doctrees/modelling/unit_operations/cstr.doctree differ
diff --git a/v4.3.0/.doctrees/modelling/unit_operations/general_rate_model.doctree b/v4.3.0/.doctrees/modelling/unit_operations/general_rate_model.doctree
index 854537305..41e661bcf 100644
Binary files a/v4.3.0/.doctrees/modelling/unit_operations/general_rate_model.doctree and b/v4.3.0/.doctrees/modelling/unit_operations/general_rate_model.doctree differ
diff --git a/v4.3.0/.doctrees/modelling/unit_operations/index.doctree b/v4.3.0/.doctrees/modelling/unit_operations/index.doctree
index 6e4e45e22..1a7722cf1 100644
Binary files a/v4.3.0/.doctrees/modelling/unit_operations/index.doctree and b/v4.3.0/.doctrees/modelling/unit_operations/index.doctree differ
diff --git a/v4.3.0/.doctrees/modelling/unit_operations/inlet.doctree b/v4.3.0/.doctrees/modelling/unit_operations/inlet.doctree
index d21296888..3b3ad689e 100644
Binary files a/v4.3.0/.doctrees/modelling/unit_operations/inlet.doctree and b/v4.3.0/.doctrees/modelling/unit_operations/inlet.doctree differ
diff --git a/v4.3.0/.doctrees/modelling/unit_operations/lumped_rate_model_with_pores.doctree b/v4.3.0/.doctrees/modelling/unit_operations/lumped_rate_model_with_pores.doctree
index 4d8626769..63b3df108 100644
Binary files a/v4.3.0/.doctrees/modelling/unit_operations/lumped_rate_model_with_pores.doctree and b/v4.3.0/.doctrees/modelling/unit_operations/lumped_rate_model_with_pores.doctree differ
diff --git a/v4.3.0/.doctrees/modelling/unit_operations/lumped_rate_model_without_pores.doctree b/v4.3.0/.doctrees/modelling/unit_operations/lumped_rate_model_without_pores.doctree
index 63dabf41f..57bdd49eb 100644
Binary files a/v4.3.0/.doctrees/modelling/unit_operations/lumped_rate_model_without_pores.doctree and b/v4.3.0/.doctrees/modelling/unit_operations/lumped_rate_model_without_pores.doctree differ
diff --git a/v4.3.0/.doctrees/modelling/unit_operations/outlet.doctree b/v4.3.0/.doctrees/modelling/unit_operations/outlet.doctree
index 6a523415b..1e25aa094 100644
Binary files a/v4.3.0/.doctrees/modelling/unit_operations/outlet.doctree and b/v4.3.0/.doctrees/modelling/unit_operations/outlet.doctree differ
diff --git a/v4.3.0/.doctrees/requirements.doctree b/v4.3.0/.doctrees/requirements.doctree
index 34dda6f89..5bbec84f4 100644
Binary files a/v4.3.0/.doctrees/requirements.doctree and b/v4.3.0/.doctrees/requirements.doctree differ
diff --git a/v4.3.0/.doctrees/simulation/index.doctree b/v4.3.0/.doctrees/simulation/index.doctree
index b3f479406..27a24c2f0 100644
Binary files a/v4.3.0/.doctrees/simulation/index.doctree and b/v4.3.0/.doctrees/simulation/index.doctree differ
diff --git a/v4.3.0/.doctrees/zbibliography.doctree b/v4.3.0/.doctrees/zbibliography.doctree
index 0d7b9d2b2..7c67c3986 100644
Binary files a/v4.3.0/.doctrees/zbibliography.doctree and b/v4.3.0/.doctrees/zbibliography.doctree differ
diff --git a/v4.4.0/.buildinfo b/v4.4.0/.buildinfo
index 5e88f8bc6..bd4ded04c 100644
--- a/v4.4.0/.buildinfo
+++ b/v4.4.0/.buildinfo
@@ -1,4 +1,4 @@
 # Sphinx build info version 1
 # This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done.
-config: 0c09f318f7616da0cb5b34b6897e9b31
+config: cf462177ecb3cc8031c73ba6bf442693
 tags: 645f666f9bcd5a90fca523b33c5a78b7
diff --git a/v4.4.0/.doctrees/README.doctree b/v4.4.0/.doctrees/README.doctree
index 28a4ccaf2..802fcc017 100644
Binary files a/v4.4.0/.doctrees/README.doctree and b/v4.4.0/.doctrees/README.doctree differ
diff --git a/v4.4.0/.doctrees/environment.pickle b/v4.4.0/.doctrees/environment.pickle
index 44bff766f..9d4fed81b 100644
Binary files a/v4.4.0/.doctrees/environment.pickle and b/v4.4.0/.doctrees/environment.pickle differ
diff --git a/v4.4.0/.doctrees/examples/batch_chromatography.doctree b/v4.4.0/.doctrees/examples/batch_chromatography.doctree
index 6dd9a1a21..a506f53e0 100644
Binary files a/v4.4.0/.doctrees/examples/batch_chromatography.doctree and b/v4.4.0/.doctrees/examples/batch_chromatography.doctree differ
diff --git a/v4.4.0/.doctrees/examples/index.doctree b/v4.4.0/.doctrees/examples/index.doctree
index 6df780c83..ed5614781 100644
Binary files a/v4.4.0/.doctrees/examples/index.doctree and b/v4.4.0/.doctrees/examples/index.doctree differ
diff --git a/v4.4.0/.doctrees/examples/load_wash_elute.doctree b/v4.4.0/.doctrees/examples/load_wash_elute.doctree
index b61c13269..ca73e3eab 100644
Binary files a/v4.4.0/.doctrees/examples/load_wash_elute.doctree and b/v4.4.0/.doctrees/examples/load_wash_elute.doctree differ
diff --git a/v4.4.0/.doctrees/examples/reaction_cstr.doctree b/v4.4.0/.doctrees/examples/reaction_cstr.doctree
index ba14911c7..6328b9774 100644
Binary files a/v4.4.0/.doctrees/examples/reaction_cstr.doctree and b/v4.4.0/.doctrees/examples/reaction_cstr.doctree differ
diff --git a/v4.4.0/.doctrees/examples/rtd.doctree b/v4.4.0/.doctrees/examples/rtd.doctree
index 4d40e1b7f..7ff1258de 100644
Binary files a/v4.4.0/.doctrees/examples/rtd.doctree and b/v4.4.0/.doctrees/examples/rtd.doctree differ
diff --git a/v4.4.0/.doctrees/getting_started/build_linux.doctree b/v4.4.0/.doctrees/getting_started/build_linux.doctree
index f230b05ac..f583dfa37 100644
Binary files a/v4.4.0/.doctrees/getting_started/build_linux.doctree and b/v4.4.0/.doctrees/getting_started/build_linux.doctree differ
diff --git a/v4.4.0/.doctrees/getting_started/build_osx.doctree b/v4.4.0/.doctrees/getting_started/build_osx.doctree
index bd7c663e2..c91716acb 100644
Binary files a/v4.4.0/.doctrees/getting_started/build_osx.doctree and b/v4.4.0/.doctrees/getting_started/build_osx.doctree differ
diff --git a/v4.4.0/.doctrees/getting_started/build_windows.doctree b/v4.4.0/.doctrees/getting_started/build_windows.doctree
index 94d758169..db18d31e4 100644
Binary files a/v4.4.0/.doctrees/getting_started/build_windows.doctree and b/v4.4.0/.doctrees/getting_started/build_windows.doctree differ
diff --git a/v4.4.0/.doctrees/getting_started/index.doctree b/v4.4.0/.doctrees/getting_started/index.doctree
index 9146101e7..c46e23189 100644
Binary files a/v4.4.0/.doctrees/getting_started/index.doctree and b/v4.4.0/.doctrees/getting_started/index.doctree differ
diff --git a/v4.4.0/.doctrees/getting_started/installation.doctree b/v4.4.0/.doctrees/getting_started/installation.doctree
index 26cce9e47..e667a0be5 100644
Binary files a/v4.4.0/.doctrees/getting_started/installation.doctree and b/v4.4.0/.doctrees/getting_started/installation.doctree differ
diff --git a/v4.4.0/.doctrees/getting_started/overview.doctree b/v4.4.0/.doctrees/getting_started/overview.doctree
index c25a2d3b1..842bf9e2b 100644
Binary files a/v4.4.0/.doctrees/getting_started/overview.doctree and b/v4.4.0/.doctrees/getting_started/overview.doctree differ
diff --git a/v4.4.0/.doctrees/getting_started/tutorials/breakthrough.doctree b/v4.4.0/.doctrees/getting_started/tutorials/breakthrough.doctree
index 37a3b16bf..3651b127d 100644
Binary files a/v4.4.0/.doctrees/getting_started/tutorials/breakthrough.doctree and b/v4.4.0/.doctrees/getting_started/tutorials/breakthrough.doctree differ
diff --git a/v4.4.0/.doctrees/index.doctree b/v4.4.0/.doctrees/index.doctree
index d059b49cc..4127dc1c5 100644
Binary files a/v4.4.0/.doctrees/index.doctree and b/v4.4.0/.doctrees/index.doctree differ
diff --git a/v4.4.0/.doctrees/interface/binding/bi_steric_mass_action.doctree b/v4.4.0/.doctrees/interface/binding/bi_steric_mass_action.doctree
index a7c5eff9e..4ede2b61b 100644
Binary files a/v4.4.0/.doctrees/interface/binding/bi_steric_mass_action.doctree and b/v4.4.0/.doctrees/interface/binding/bi_steric_mass_action.doctree differ
diff --git a/v4.4.0/.doctrees/interface/binding/extended_mobile_phase_modulator_langmuir.doctree b/v4.4.0/.doctrees/interface/binding/extended_mobile_phase_modulator_langmuir.doctree
index cff8b258c..6c25ac121 100644
Binary files a/v4.4.0/.doctrees/interface/binding/extended_mobile_phase_modulator_langmuir.doctree and b/v4.4.0/.doctrees/interface/binding/extended_mobile_phase_modulator_langmuir.doctree differ
diff --git a/v4.4.0/.doctrees/interface/binding/freundlich_ldf.doctree b/v4.4.0/.doctrees/interface/binding/freundlich_ldf.doctree
index 28e1fad53..ee79f69cd 100644
Binary files a/v4.4.0/.doctrees/interface/binding/freundlich_ldf.doctree and b/v4.4.0/.doctrees/interface/binding/freundlich_ldf.doctree differ
diff --git a/v4.4.0/.doctrees/interface/binding/generalized_ion_exchange.doctree b/v4.4.0/.doctrees/interface/binding/generalized_ion_exchange.doctree
index cd822e457..c173e9ee4 100644
Binary files a/v4.4.0/.doctrees/interface/binding/generalized_ion_exchange.doctree and b/v4.4.0/.doctrees/interface/binding/generalized_ion_exchange.doctree differ
diff --git a/v4.4.0/.doctrees/interface/binding/hic_constant_water_activity.doctree b/v4.4.0/.doctrees/interface/binding/hic_constant_water_activity.doctree
index 35b96136f..b6e2d76e0 100644
Binary files a/v4.4.0/.doctrees/interface/binding/hic_constant_water_activity.doctree and b/v4.4.0/.doctrees/interface/binding/hic_constant_water_activity.doctree differ
diff --git a/v4.4.0/.doctrees/interface/binding/hic_water_on_hydrophobic_surfaces.doctree b/v4.4.0/.doctrees/interface/binding/hic_water_on_hydrophobic_surfaces.doctree
index 970ca1d78..a95adc630 100644
Binary files a/v4.4.0/.doctrees/interface/binding/hic_water_on_hydrophobic_surfaces.doctree and b/v4.4.0/.doctrees/interface/binding/hic_water_on_hydrophobic_surfaces.doctree differ
diff --git a/v4.4.0/.doctrees/interface/binding/index.doctree b/v4.4.0/.doctrees/interface/binding/index.doctree
index 5b5294bac..a2093f9bb 100644
Binary files a/v4.4.0/.doctrees/interface/binding/index.doctree and b/v4.4.0/.doctrees/interface/binding/index.doctree differ
diff --git a/v4.4.0/.doctrees/interface/binding/linear.doctree b/v4.4.0/.doctrees/interface/binding/linear.doctree
index c152e5ade..ef9d36338 100644
Binary files a/v4.4.0/.doctrees/interface/binding/linear.doctree and b/v4.4.0/.doctrees/interface/binding/linear.doctree differ
diff --git a/v4.4.0/.doctrees/interface/binding/mobile_phase_modulator_langmuir.doctree b/v4.4.0/.doctrees/interface/binding/mobile_phase_modulator_langmuir.doctree
index 89ee5f7bf..70d2eb91e 100644
Binary files a/v4.4.0/.doctrees/interface/binding/mobile_phase_modulator_langmuir.doctree and b/v4.4.0/.doctrees/interface/binding/mobile_phase_modulator_langmuir.doctree differ
diff --git a/v4.4.0/.doctrees/interface/binding/multi_component_anti_langmuir.doctree b/v4.4.0/.doctrees/interface/binding/multi_component_anti_langmuir.doctree
index b740c861a..bd7a10c7c 100644
Binary files a/v4.4.0/.doctrees/interface/binding/multi_component_anti_langmuir.doctree and b/v4.4.0/.doctrees/interface/binding/multi_component_anti_langmuir.doctree differ
diff --git a/v4.4.0/.doctrees/interface/binding/multi_component_bi_langmuir.doctree b/v4.4.0/.doctrees/interface/binding/multi_component_bi_langmuir.doctree
index 2af6f79f9..ec917dbbb 100644
Binary files a/v4.4.0/.doctrees/interface/binding/multi_component_bi_langmuir.doctree and b/v4.4.0/.doctrees/interface/binding/multi_component_bi_langmuir.doctree differ
diff --git a/v4.4.0/.doctrees/interface/binding/multi_component_bi_langmuir_ldf.doctree b/v4.4.0/.doctrees/interface/binding/multi_component_bi_langmuir_ldf.doctree
index 497444637..80a2496b3 100644
Binary files a/v4.4.0/.doctrees/interface/binding/multi_component_bi_langmuir_ldf.doctree and b/v4.4.0/.doctrees/interface/binding/multi_component_bi_langmuir_ldf.doctree differ
diff --git a/v4.4.0/.doctrees/interface/binding/multi_component_langmuir.doctree b/v4.4.0/.doctrees/interface/binding/multi_component_langmuir.doctree
index d18bdfb57..3485c029e 100644
Binary files a/v4.4.0/.doctrees/interface/binding/multi_component_langmuir.doctree and b/v4.4.0/.doctrees/interface/binding/multi_component_langmuir.doctree differ
diff --git a/v4.4.0/.doctrees/interface/binding/multi_component_langmuir_ldf.doctree b/v4.4.0/.doctrees/interface/binding/multi_component_langmuir_ldf.doctree
index eab85cfaf..36d5d3e5f 100644
Binary files a/v4.4.0/.doctrees/interface/binding/multi_component_langmuir_ldf.doctree and b/v4.4.0/.doctrees/interface/binding/multi_component_langmuir_ldf.doctree differ
diff --git a/v4.4.0/.doctrees/interface/binding/multi_component_langmuir_ldf_liquid_phase.doctree b/v4.4.0/.doctrees/interface/binding/multi_component_langmuir_ldf_liquid_phase.doctree
index 9f9244a8d..e36f37161 100644
Binary files a/v4.4.0/.doctrees/interface/binding/multi_component_langmuir_ldf_liquid_phase.doctree and b/v4.4.0/.doctrees/interface/binding/multi_component_langmuir_ldf_liquid_phase.doctree differ
diff --git a/v4.4.0/.doctrees/interface/binding/multi_component_spreading.doctree b/v4.4.0/.doctrees/interface/binding/multi_component_spreading.doctree
index 1c784cd89..b3a60530b 100644
Binary files a/v4.4.0/.doctrees/interface/binding/multi_component_spreading.doctree and b/v4.4.0/.doctrees/interface/binding/multi_component_spreading.doctree differ
diff --git a/v4.4.0/.doctrees/interface/binding/multi_state_steric_mass_action.doctree b/v4.4.0/.doctrees/interface/binding/multi_state_steric_mass_action.doctree
index e59ec8df4..fb4e466b4 100644
Binary files a/v4.4.0/.doctrees/interface/binding/multi_state_steric_mass_action.doctree and b/v4.4.0/.doctrees/interface/binding/multi_state_steric_mass_action.doctree differ
diff --git a/v4.4.0/.doctrees/interface/binding/saska.doctree b/v4.4.0/.doctrees/interface/binding/saska.doctree
index ec6fca28e..4df2a70aa 100644
Binary files a/v4.4.0/.doctrees/interface/binding/saska.doctree and b/v4.4.0/.doctrees/interface/binding/saska.doctree differ
diff --git a/v4.4.0/.doctrees/interface/binding/self_association.doctree b/v4.4.0/.doctrees/interface/binding/self_association.doctree
index a46bae485..5b419ede9 100644
Binary files a/v4.4.0/.doctrees/interface/binding/self_association.doctree and b/v4.4.0/.doctrees/interface/binding/self_association.doctree differ
diff --git a/v4.4.0/.doctrees/interface/binding/simplified_multi_state_steric_mass_action.doctree b/v4.4.0/.doctrees/interface/binding/simplified_multi_state_steric_mass_action.doctree
index f8c3fd10a..4375efdec 100644
Binary files a/v4.4.0/.doctrees/interface/binding/simplified_multi_state_steric_mass_action.doctree and b/v4.4.0/.doctrees/interface/binding/simplified_multi_state_steric_mass_action.doctree differ
diff --git a/v4.4.0/.doctrees/interface/binding/steric_mass_action.doctree b/v4.4.0/.doctrees/interface/binding/steric_mass_action.doctree
index 7f6eec8a3..87a6eb9c0 100644
Binary files a/v4.4.0/.doctrees/interface/binding/steric_mass_action.doctree and b/v4.4.0/.doctrees/interface/binding/steric_mass_action.doctree differ
diff --git a/v4.4.0/.doctrees/interface/consistent_initialization.doctree b/v4.4.0/.doctrees/interface/consistent_initialization.doctree
index 4641f2d8b..a98595e5c 100644
Binary files a/v4.4.0/.doctrees/interface/consistent_initialization.doctree and b/v4.4.0/.doctrees/interface/consistent_initialization.doctree differ
diff --git a/v4.4.0/.doctrees/interface/flux_reconstruction.doctree b/v4.4.0/.doctrees/interface/flux_reconstruction.doctree
index 8a1916178..d29e8e4d1 100644
Binary files a/v4.4.0/.doctrees/interface/flux_reconstruction.doctree and b/v4.4.0/.doctrees/interface/flux_reconstruction.doctree differ
diff --git a/v4.4.0/.doctrees/interface/index.doctree b/v4.4.0/.doctrees/interface/index.doctree
index ec8edd61d..3b3d992ba 100644
Binary files a/v4.4.0/.doctrees/interface/index.doctree and b/v4.4.0/.doctrees/interface/index.doctree differ
diff --git a/v4.4.0/.doctrees/interface/input_group.doctree b/v4.4.0/.doctrees/interface/input_group.doctree
index 9cefd40e4..9a36e177c 100644
Binary files a/v4.4.0/.doctrees/interface/input_group.doctree and b/v4.4.0/.doctrees/interface/input_group.doctree differ
diff --git a/v4.4.0/.doctrees/interface/introduction.doctree b/v4.4.0/.doctrees/interface/introduction.doctree
index 93b4e639f..86d14dfb9 100644
Binary files a/v4.4.0/.doctrees/interface/introduction.doctree and b/v4.4.0/.doctrees/interface/introduction.doctree differ
diff --git a/v4.4.0/.doctrees/interface/meta_group.doctree b/v4.4.0/.doctrees/interface/meta_group.doctree
index dfbb54a83..628c8c41c 100644
Binary files a/v4.4.0/.doctrees/interface/meta_group.doctree and b/v4.4.0/.doctrees/interface/meta_group.doctree differ
diff --git a/v4.4.0/.doctrees/interface/output_group.doctree b/v4.4.0/.doctrees/interface/output_group.doctree
index 21017e4f3..0e41b7830 100644
Binary files a/v4.4.0/.doctrees/interface/output_group.doctree and b/v4.4.0/.doctrees/interface/output_group.doctree differ
diff --git a/v4.4.0/.doctrees/interface/reactions.doctree b/v4.4.0/.doctrees/interface/reactions.doctree
index d59cb2f26..f80c9b521 100644
Binary files a/v4.4.0/.doctrees/interface/reactions.doctree and b/v4.4.0/.doctrees/interface/reactions.doctree differ
diff --git a/v4.4.0/.doctrees/interface/return_data.doctree b/v4.4.0/.doctrees/interface/return_data.doctree
index be0ac5d25..e466853b6 100644
Binary files a/v4.4.0/.doctrees/interface/return_data.doctree and b/v4.4.0/.doctrees/interface/return_data.doctree differ
diff --git a/v4.4.0/.doctrees/interface/sensitivities.doctree b/v4.4.0/.doctrees/interface/sensitivities.doctree
index 489ede0bc..7722d897c 100644
Binary files a/v4.4.0/.doctrees/interface/sensitivities.doctree and b/v4.4.0/.doctrees/interface/sensitivities.doctree differ
diff --git a/v4.4.0/.doctrees/interface/solver.doctree b/v4.4.0/.doctrees/interface/solver.doctree
index 317c99561..cc695e85a 100644
Binary files a/v4.4.0/.doctrees/interface/solver.doctree and b/v4.4.0/.doctrees/interface/solver.doctree differ
diff --git a/v4.4.0/.doctrees/interface/system.doctree b/v4.4.0/.doctrees/interface/system.doctree
index 97987cc4e..e788b3190 100644
Binary files a/v4.4.0/.doctrees/interface/system.doctree and b/v4.4.0/.doctrees/interface/system.doctree differ
diff --git a/v4.4.0/.doctrees/interface/unit_operations/2d_general_rate_model.doctree b/v4.4.0/.doctrees/interface/unit_operations/2d_general_rate_model.doctree
index 5fd359b17..616a56970 100644
Binary files a/v4.4.0/.doctrees/interface/unit_operations/2d_general_rate_model.doctree and b/v4.4.0/.doctrees/interface/unit_operations/2d_general_rate_model.doctree differ
diff --git a/v4.4.0/.doctrees/interface/unit_operations/cstr.doctree b/v4.4.0/.doctrees/interface/unit_operations/cstr.doctree
index d9b0517f3..7b1ee4f3a 100644
Binary files a/v4.4.0/.doctrees/interface/unit_operations/cstr.doctree and b/v4.4.0/.doctrees/interface/unit_operations/cstr.doctree differ
diff --git a/v4.4.0/.doctrees/interface/unit_operations/general_rate_model.doctree b/v4.4.0/.doctrees/interface/unit_operations/general_rate_model.doctree
index fafe387f0..281e90aaf 100644
Binary files a/v4.4.0/.doctrees/interface/unit_operations/general_rate_model.doctree and b/v4.4.0/.doctrees/interface/unit_operations/general_rate_model.doctree differ
diff --git a/v4.4.0/.doctrees/interface/unit_operations/index.doctree b/v4.4.0/.doctrees/interface/unit_operations/index.doctree
index 5ae8fe7ec..ec659dcd4 100644
Binary files a/v4.4.0/.doctrees/interface/unit_operations/index.doctree and b/v4.4.0/.doctrees/interface/unit_operations/index.doctree differ
diff --git a/v4.4.0/.doctrees/interface/unit_operations/inlet.doctree b/v4.4.0/.doctrees/interface/unit_operations/inlet.doctree
index 04a502bd1..200f37706 100644
Binary files a/v4.4.0/.doctrees/interface/unit_operations/inlet.doctree and b/v4.4.0/.doctrees/interface/unit_operations/inlet.doctree differ
diff --git a/v4.4.0/.doctrees/interface/unit_operations/lumped_rate_model_with_pores.doctree b/v4.4.0/.doctrees/interface/unit_operations/lumped_rate_model_with_pores.doctree
index 7594565c6..48af26d02 100644
Binary files a/v4.4.0/.doctrees/interface/unit_operations/lumped_rate_model_with_pores.doctree and b/v4.4.0/.doctrees/interface/unit_operations/lumped_rate_model_with_pores.doctree differ
diff --git a/v4.4.0/.doctrees/interface/unit_operations/lumped_rate_model_without_pores.doctree b/v4.4.0/.doctrees/interface/unit_operations/lumped_rate_model_without_pores.doctree
index ea52477bf..05542965a 100644
Binary files a/v4.4.0/.doctrees/interface/unit_operations/lumped_rate_model_without_pores.doctree and b/v4.4.0/.doctrees/interface/unit_operations/lumped_rate_model_without_pores.doctree differ
diff --git a/v4.4.0/.doctrees/interface/unit_operations/outlet.doctree b/v4.4.0/.doctrees/interface/unit_operations/outlet.doctree
index 8b4209053..67b1a84af 100644
Binary files a/v4.4.0/.doctrees/interface/unit_operations/outlet.doctree and b/v4.4.0/.doctrees/interface/unit_operations/outlet.doctree differ
diff --git a/v4.4.0/.doctrees/license.doctree b/v4.4.0/.doctrees/license.doctree
index 152f8cae5..8e2e75ffc 100644
Binary files a/v4.4.0/.doctrees/license.doctree and b/v4.4.0/.doctrees/license.doctree differ
diff --git a/v4.4.0/.doctrees/modelling/binding/bi_steric_mass_action.doctree b/v4.4.0/.doctrees/modelling/binding/bi_steric_mass_action.doctree
index a201a579e..5407ec8c2 100644
Binary files a/v4.4.0/.doctrees/modelling/binding/bi_steric_mass_action.doctree and b/v4.4.0/.doctrees/modelling/binding/bi_steric_mass_action.doctree differ
diff --git a/v4.4.0/.doctrees/modelling/binding/extended_mobile_phase_modulator_langmuir.doctree b/v4.4.0/.doctrees/modelling/binding/extended_mobile_phase_modulator_langmuir.doctree
index 551c591b5..50588714b 100644
Binary files a/v4.4.0/.doctrees/modelling/binding/extended_mobile_phase_modulator_langmuir.doctree and b/v4.4.0/.doctrees/modelling/binding/extended_mobile_phase_modulator_langmuir.doctree differ
diff --git a/v4.4.0/.doctrees/modelling/binding/freundlich_ldf.doctree b/v4.4.0/.doctrees/modelling/binding/freundlich_ldf.doctree
index 163e91fd6..d8e89982c 100644
Binary files a/v4.4.0/.doctrees/modelling/binding/freundlich_ldf.doctree and b/v4.4.0/.doctrees/modelling/binding/freundlich_ldf.doctree differ
diff --git a/v4.4.0/.doctrees/modelling/binding/generalized_ion_exchange.doctree b/v4.4.0/.doctrees/modelling/binding/generalized_ion_exchange.doctree
index 93418da69..79a6ba81e 100644
Binary files a/v4.4.0/.doctrees/modelling/binding/generalized_ion_exchange.doctree and b/v4.4.0/.doctrees/modelling/binding/generalized_ion_exchange.doctree differ
diff --git a/v4.4.0/.doctrees/modelling/binding/hic_constant_water_activity.doctree b/v4.4.0/.doctrees/modelling/binding/hic_constant_water_activity.doctree
index bccb23912..099fd34ac 100644
Binary files a/v4.4.0/.doctrees/modelling/binding/hic_constant_water_activity.doctree and b/v4.4.0/.doctrees/modelling/binding/hic_constant_water_activity.doctree differ
diff --git a/v4.4.0/.doctrees/modelling/binding/hic_water_on_hydrophobic_surfaces.doctree b/v4.4.0/.doctrees/modelling/binding/hic_water_on_hydrophobic_surfaces.doctree
index f6d75dd22..2f07ca235 100644
Binary files a/v4.4.0/.doctrees/modelling/binding/hic_water_on_hydrophobic_surfaces.doctree and b/v4.4.0/.doctrees/modelling/binding/hic_water_on_hydrophobic_surfaces.doctree differ
diff --git a/v4.4.0/.doctrees/modelling/binding/index.doctree b/v4.4.0/.doctrees/modelling/binding/index.doctree
index 41c714c26..c1441905c 100644
Binary files a/v4.4.0/.doctrees/modelling/binding/index.doctree and b/v4.4.0/.doctrees/modelling/binding/index.doctree differ
diff --git a/v4.4.0/.doctrees/modelling/binding/linear.doctree b/v4.4.0/.doctrees/modelling/binding/linear.doctree
index e947410df..fc6d3b87e 100644
Binary files a/v4.4.0/.doctrees/modelling/binding/linear.doctree and b/v4.4.0/.doctrees/modelling/binding/linear.doctree differ
diff --git a/v4.4.0/.doctrees/modelling/binding/mobile_phase_modulator_langmuir.doctree b/v4.4.0/.doctrees/modelling/binding/mobile_phase_modulator_langmuir.doctree
index 5df07141d..cb0eb8d2a 100644
Binary files a/v4.4.0/.doctrees/modelling/binding/mobile_phase_modulator_langmuir.doctree and b/v4.4.0/.doctrees/modelling/binding/mobile_phase_modulator_langmuir.doctree differ
diff --git a/v4.4.0/.doctrees/modelling/binding/multi_component_anti_langmuir.doctree b/v4.4.0/.doctrees/modelling/binding/multi_component_anti_langmuir.doctree
index fddb0f044..fbcc07665 100644
Binary files a/v4.4.0/.doctrees/modelling/binding/multi_component_anti_langmuir.doctree and b/v4.4.0/.doctrees/modelling/binding/multi_component_anti_langmuir.doctree differ
diff --git a/v4.4.0/.doctrees/modelling/binding/multi_component_bi_langmuir.doctree b/v4.4.0/.doctrees/modelling/binding/multi_component_bi_langmuir.doctree
index c3ddad74f..aa2d81ee5 100644
Binary files a/v4.4.0/.doctrees/modelling/binding/multi_component_bi_langmuir.doctree and b/v4.4.0/.doctrees/modelling/binding/multi_component_bi_langmuir.doctree differ
diff --git a/v4.4.0/.doctrees/modelling/binding/multi_component_bi_langmuir_ldf.doctree b/v4.4.0/.doctrees/modelling/binding/multi_component_bi_langmuir_ldf.doctree
index 395782232..a9efd2bf6 100644
Binary files a/v4.4.0/.doctrees/modelling/binding/multi_component_bi_langmuir_ldf.doctree and b/v4.4.0/.doctrees/modelling/binding/multi_component_bi_langmuir_ldf.doctree differ
diff --git a/v4.4.0/.doctrees/modelling/binding/multi_component_langmuir.doctree b/v4.4.0/.doctrees/modelling/binding/multi_component_langmuir.doctree
index dfae3f16a..05428bd1e 100644
Binary files a/v4.4.0/.doctrees/modelling/binding/multi_component_langmuir.doctree and b/v4.4.0/.doctrees/modelling/binding/multi_component_langmuir.doctree differ
diff --git a/v4.4.0/.doctrees/modelling/binding/multi_component_langmuir_ldf.doctree b/v4.4.0/.doctrees/modelling/binding/multi_component_langmuir_ldf.doctree
index fb632ae94..05e6b0017 100644
Binary files a/v4.4.0/.doctrees/modelling/binding/multi_component_langmuir_ldf.doctree and b/v4.4.0/.doctrees/modelling/binding/multi_component_langmuir_ldf.doctree differ
diff --git a/v4.4.0/.doctrees/modelling/binding/multi_component_langmuir_ldf_liquid_phase.doctree b/v4.4.0/.doctrees/modelling/binding/multi_component_langmuir_ldf_liquid_phase.doctree
index f5797e802..abf843253 100644
Binary files a/v4.4.0/.doctrees/modelling/binding/multi_component_langmuir_ldf_liquid_phase.doctree and b/v4.4.0/.doctrees/modelling/binding/multi_component_langmuir_ldf_liquid_phase.doctree differ
diff --git a/v4.4.0/.doctrees/modelling/binding/multi_component_spreading.doctree b/v4.4.0/.doctrees/modelling/binding/multi_component_spreading.doctree
index dde8a34cc..101293902 100644
Binary files a/v4.4.0/.doctrees/modelling/binding/multi_component_spreading.doctree and b/v4.4.0/.doctrees/modelling/binding/multi_component_spreading.doctree differ
diff --git a/v4.4.0/.doctrees/modelling/binding/multi_state_steric_mass_action.doctree b/v4.4.0/.doctrees/modelling/binding/multi_state_steric_mass_action.doctree
index b30c1afc9..4a5d6ee22 100644
Binary files a/v4.4.0/.doctrees/modelling/binding/multi_state_steric_mass_action.doctree and b/v4.4.0/.doctrees/modelling/binding/multi_state_steric_mass_action.doctree differ
diff --git a/v4.4.0/.doctrees/modelling/binding/saska.doctree b/v4.4.0/.doctrees/modelling/binding/saska.doctree
index 4edb48bbd..2de8dce31 100644
Binary files a/v4.4.0/.doctrees/modelling/binding/saska.doctree and b/v4.4.0/.doctrees/modelling/binding/saska.doctree differ
diff --git a/v4.4.0/.doctrees/modelling/binding/self_association.doctree b/v4.4.0/.doctrees/modelling/binding/self_association.doctree
index ced8c66df..d663e9671 100644
Binary files a/v4.4.0/.doctrees/modelling/binding/self_association.doctree and b/v4.4.0/.doctrees/modelling/binding/self_association.doctree differ
diff --git a/v4.4.0/.doctrees/modelling/binding/simplified_multi_state_steric_mass_action.doctree b/v4.4.0/.doctrees/modelling/binding/simplified_multi_state_steric_mass_action.doctree
index d327e1d08..a43cdef86 100644
Binary files a/v4.4.0/.doctrees/modelling/binding/simplified_multi_state_steric_mass_action.doctree and b/v4.4.0/.doctrees/modelling/binding/simplified_multi_state_steric_mass_action.doctree differ
diff --git a/v4.4.0/.doctrees/modelling/binding/steric_mass_action.doctree b/v4.4.0/.doctrees/modelling/binding/steric_mass_action.doctree
index 13e6ccf19..e7fbd123b 100644
Binary files a/v4.4.0/.doctrees/modelling/binding/steric_mass_action.doctree and b/v4.4.0/.doctrees/modelling/binding/steric_mass_action.doctree differ
diff --git a/v4.4.0/.doctrees/modelling/index.doctree b/v4.4.0/.doctrees/modelling/index.doctree
index 0d9fcbf01..ea2690f43 100644
Binary files a/v4.4.0/.doctrees/modelling/index.doctree and b/v4.4.0/.doctrees/modelling/index.doctree differ
diff --git a/v4.4.0/.doctrees/modelling/networks.doctree b/v4.4.0/.doctrees/modelling/networks.doctree
index 42f9220ad..310f41d05 100644
Binary files a/v4.4.0/.doctrees/modelling/networks.doctree and b/v4.4.0/.doctrees/modelling/networks.doctree differ
diff --git a/v4.4.0/.doctrees/modelling/reactions.doctree b/v4.4.0/.doctrees/modelling/reactions.doctree
index 99126e824..3f4d5b074 100644
Binary files a/v4.4.0/.doctrees/modelling/reactions.doctree and b/v4.4.0/.doctrees/modelling/reactions.doctree differ
diff --git a/v4.4.0/.doctrees/modelling/unit_operations/2d_general_rate_model.doctree b/v4.4.0/.doctrees/modelling/unit_operations/2d_general_rate_model.doctree
index 0bd5d516e..15a1407bd 100644
Binary files a/v4.4.0/.doctrees/modelling/unit_operations/2d_general_rate_model.doctree and b/v4.4.0/.doctrees/modelling/unit_operations/2d_general_rate_model.doctree differ
diff --git a/v4.4.0/.doctrees/modelling/unit_operations/cstr.doctree b/v4.4.0/.doctrees/modelling/unit_operations/cstr.doctree
index ea87d75ad..929fddada 100644
Binary files a/v4.4.0/.doctrees/modelling/unit_operations/cstr.doctree and b/v4.4.0/.doctrees/modelling/unit_operations/cstr.doctree differ
diff --git a/v4.4.0/.doctrees/modelling/unit_operations/general_rate_model.doctree b/v4.4.0/.doctrees/modelling/unit_operations/general_rate_model.doctree
index ff178a39f..42fca796b 100644
Binary files a/v4.4.0/.doctrees/modelling/unit_operations/general_rate_model.doctree and b/v4.4.0/.doctrees/modelling/unit_operations/general_rate_model.doctree differ
diff --git a/v4.4.0/.doctrees/modelling/unit_operations/index.doctree b/v4.4.0/.doctrees/modelling/unit_operations/index.doctree
index 850dcf00f..7b01b6717 100644
Binary files a/v4.4.0/.doctrees/modelling/unit_operations/index.doctree and b/v4.4.0/.doctrees/modelling/unit_operations/index.doctree differ
diff --git a/v4.4.0/.doctrees/modelling/unit_operations/inlet.doctree b/v4.4.0/.doctrees/modelling/unit_operations/inlet.doctree
index 1575bd018..20d3b5d25 100644
Binary files a/v4.4.0/.doctrees/modelling/unit_operations/inlet.doctree and b/v4.4.0/.doctrees/modelling/unit_operations/inlet.doctree differ
diff --git a/v4.4.0/.doctrees/modelling/unit_operations/lumped_rate_model_with_pores.doctree b/v4.4.0/.doctrees/modelling/unit_operations/lumped_rate_model_with_pores.doctree
index 9b05400e0..607472d18 100644
Binary files a/v4.4.0/.doctrees/modelling/unit_operations/lumped_rate_model_with_pores.doctree and b/v4.4.0/.doctrees/modelling/unit_operations/lumped_rate_model_with_pores.doctree differ
diff --git a/v4.4.0/.doctrees/modelling/unit_operations/lumped_rate_model_without_pores.doctree b/v4.4.0/.doctrees/modelling/unit_operations/lumped_rate_model_without_pores.doctree
index 6615aaa41..d61a4cd9d 100644
Binary files a/v4.4.0/.doctrees/modelling/unit_operations/lumped_rate_model_without_pores.doctree and b/v4.4.0/.doctrees/modelling/unit_operations/lumped_rate_model_without_pores.doctree differ
diff --git a/v4.4.0/.doctrees/modelling/unit_operations/outlet.doctree b/v4.4.0/.doctrees/modelling/unit_operations/outlet.doctree
index 3eca022e3..dfa23347e 100644
Binary files a/v4.4.0/.doctrees/modelling/unit_operations/outlet.doctree and b/v4.4.0/.doctrees/modelling/unit_operations/outlet.doctree differ
diff --git a/v4.4.0/.doctrees/requirements.doctree b/v4.4.0/.doctrees/requirements.doctree
index fa9ad5201..be89ed1a5 100644
Binary files a/v4.4.0/.doctrees/requirements.doctree and b/v4.4.0/.doctrees/requirements.doctree differ
diff --git a/v4.4.0/.doctrees/simulation/index.doctree b/v4.4.0/.doctrees/simulation/index.doctree
index fe9bd2d8a..0840a260a 100644
Binary files a/v4.4.0/.doctrees/simulation/index.doctree and b/v4.4.0/.doctrees/simulation/index.doctree differ
diff --git a/v4.4.0/.doctrees/zbibliography.doctree b/v4.4.0/.doctrees/zbibliography.doctree
index ac0c91b06..3b8ae67dd 100644
Binary files a/v4.4.0/.doctrees/zbibliography.doctree and b/v4.4.0/.doctrees/zbibliography.doctree differ