From 59c1c8fbc5aa24f5ab975e58100d5e4ec4e262c6 Mon Sep 17 00:00:00 2001 From: Jan Breuer Date: Wed, 24 Jul 2024 10:21:42 +0200 Subject: [PATCH] Move GRM surface diffusion salt-dependence doc to parameter dependence section --- doc/interface/parameter_dependencies.rst | 139 +++++++++++++++++- .../unit_operations/general_rate_model.rst | 136 +---------------- 2 files changed, 139 insertions(+), 136 deletions(-) diff --git a/doc/interface/parameter_dependencies.rst b/doc/interface/parameter_dependencies.rst index c632de17a..694bc2887 100644 --- a/doc/interface/parameter_dependencies.rst +++ b/doc/interface/parameter_dependencies.rst @@ -73,7 +73,144 @@ Here, :math:`p_{dep}` is the dependent parameter and :math:`p_{on}` is the param Parameter-State Dependencies ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ +Currently, the dependence of surface diffusion on the particle liquid salt component is the only available parameter-state dependence. + Group /input/model/unit_XXX --------------------------- -Parameter-State Dependencies are not fully implemented yet. +``PAR_SURFDIFFUSION_DEP`` + + Parameter dependence of :math:`\texttt{PAR_SURFDIFFUSION}` on the particle liquid salt component (i.e. component with index 0). Valid dependencies are: + + - :math:`\texttt{NONE}` Original parameter is used unmodified. + - :math:`\texttt{LIQUID_SALT_EXPONENTIAL}` Original parameter is modified by exponential law of liquid phase salt concentration. + - :math:`\texttt{LIQUID_SALT_POWER}` Original parameter is modified by power law of liquid phase salt concentration. + - :math:`\texttt{LIQUID_SALT_COLLOIDAL_AFFINITY}` Original parameter is modified by colloidal binding affinity based on liquid phase salt concentration. + + Optional: If left out, no parameter dependence is assumed and the original surface diffusion coefficients are used unmodified. + + ================ ========================================= + **Type:** string **Length:** :math:`1 / \texttt{NPARTYPE}` + ================ ========================================= + +``PAR_SURFDIFFUSION_EXPFACTOR`` + + Factor :math:`\texttt{p1}` in exponential law particle surface diffusion relation + :math:`D_{s, i, m} = \tilde{D}_{s, i, m} p_{1, i, m} exp \left(p_{2, i, m} c_{0}^{p} \right)` + where :math:`\tilde{D}_{s, i, m}` is the original surface diffusion coefficient. Only required if :math:`\texttt{PAR_SURFDIFFUSION_DEP}` is :math:`\texttt{LIQUID_SALT_EXPONENTIAL}`. + + ================ ========================= =================================== + **Type:** double **Range:** :math:`\geq 0` **Length:** :math:`\texttt{NBOUND}` + ================ ========================= =================================== + +``PAR_SURFDIFFUSION_EXPARGMULT`` + + Factor :math:`\texttt{p2}` in exponential law particle surface diffusion relation + :math:`D_{s, i, m} = \tilde{D}_{s, i, m} p_{1, i, m} exp \left(p_{2, i, m} c_{0}^{p} \right)` + where :math:`\tilde{D}_{s, i, m}` is the original surface diffusion coefficient. Only required if :math:`\texttt{PAR_SURFDIFFUSION_DEP}` is :math:`\texttt{LIQUID_SALT_EXPONENTIAL}`. + + ================ ============================= =================================== + **Type:** double **Range:** :math:`\mathbb{R}` **Length:** :math:`\texttt{NBOUND}` + ================ ============================= =================================== + +``PAR_SURFDIFFUSION_POWFACTOR`` + + Factor :math:`\texttt{p1}` in power law particle surface diffusion relation + :math:`D_{s, i, m} = \tilde{D}_{s, i, m} p_{1, i, m} \left( c_{0}^{p} \right)^{p_{2, i, m}}` + where :math:`\tilde{D}_{s, i, m}` is the original surface diffusion coefficient. Only required if :math:`\texttt{PAR_SURFDIFFUSION_DEP}` is :math:`\texttt{LIQUID_SALT_POWER}`. + + ================ ========================= =================================== + **Type:** double **Range:** :math:`\geq 0` **Length:** :math:`\texttt{NBOUND}` + ================ ========================= =================================== + +``PAR_SURFDIFFUSION_POWEXP`` + + Fjactor :math:`\texttt{p2}` in power law particle surface diffusion relation + :math:`D_{s, i, m} = \tilde{D}_{s, i, m} p_{1, i, m} \left( c_{0}^{p} \right)^{p_{2, i, m}}` + where :math:`\tilde{D}_{s, i, m}` is the original surface diffusion coefficient. Only required if :math:`\texttt{PAR_SURFDIFFUSION_DEP}` is :math:`\texttt{LIQUID_SALT_POWER}`. + + ================ ============================= =================================== + **Type:** double **Range:** :math:`\mathbb{R}` **Length:** :math:`\texttt{NBOUND}` + ================ ============================= =================================== + +``PAR_SURFDIFFUSION_LOGKEQFACTOR`` + + Factor :math:`\texttt{p1}` in colloidal affinity law particle surface diffusion relation + :math:`D_{s, i, m} = \tilde{D}_{s, i, m} \left[ p_{4, i, m} \left( k_{i, m} \left( c_{0}^{p} \right) \right)^{p_{5, i, m}} p_{6, i, m} exp \left( p_{7, i, m} k_{i, m} \left( c_{0}^{p} \right) \right) \right]` + where :math:`\tilde{D}_{s, i, m}` is the original surface diffusion coefficient and + :math:`k_{i, m} \left( c_{0}^{p} \right) = p_{1, i, m}\left( c_{0}^{p} \right)^{p_{2, i, m}} + p_{3, i, m}`. + Only required if :math:`\texttt{PAR_SURFDIFFUSION_DEP}` is :math:`\texttt{LIQUID_SALT_COLLOIDAL_AFFINITY}`. + + ================ ============================= =================================== + **Type:** double **Range:** :math:`\mathbb{R}` **Length:** :math:`\texttt{NBOUND}` + ================ ============================= =================================== + +``PAR_SURFDIFFUSION_LOGKEQEXP`` + + Factor :math:`\texttt{p2}` in colloidal affinity law particle surface diffusion relation + :math:`D_{s, i, m} = \tilde{D}_{s, i, m} \left[ p_{4, i, m} \left( k_{i, m} \left( c_{0}^{p} \right) \right)^{p_{5, i, m}} p_{6, i, m} exp \left( p_{7, i, m} k_{i, m} \left( c_{0}^{p} \right) \right) \right]` + where :math:`\tilde{D}_{s, i, m}` is the original surface diffusion coefficient and + :math:`k_{i, m} \left( c_{0}^{p} \right) = p_{1, i, m}\left( c_{0}^{p} \right)^{p_{2, i, m}} + p_{3, i, m}`. + Only required if :math:`\texttt{PAR_SURFDIFFUSION_DEP}` is :math:`\texttt{LIQUID_SALT_COLLOIDAL_AFFINITY}`. + + ================ ============================= =================================== + **Type:** double **Range:** :math:`\mathbb{R}` **Length:** :math:`\texttt{NBOUND}` + ================ ============================= =================================== + +``PAR_SURFDIFFUSION_LOGKEQCONST`` + + Factor :math:`\texttt{p3}` in colloidal affinity law particle surface diffusion relation + :math:`D_{s, i, m} = \tilde{D}_{s, i, m} \left[ p_{4, i, m} \left( k_{i, m} \left( c_{0}^{p} \right) \right)^{p_{5, i, m}} p_{6, i, m} exp \left( p_{7, i, m} k_{i, m} \left( c_{0}^{p} \right) \right) \right]` + where :math:`\tilde{D}_{s, i, m}` is the original surface diffusion coefficient and + :math:`k_{i, m} \left( c_{0}^{p} \right) = p_{1, i, m}\left( c_{0}^{p} \right)^{p_{2, i, m}} + p_{3, i, m}`. + Only required if :math:`\texttt{PAR_SURFDIFFUSION_DEP}` is :math:`\texttt{LIQUID_SALT_COLLOIDAL_AFFINITY}`. + + ================ ============================= =================================== + **Type:** double **Range:** :math:`\mathbb{R}` **Length:** :math:`\texttt{NBOUND}` + ================ ============================= =================================== + +``PAR_SURFDIFFUSION_POWFACTOR`` + + Factor :math:`\texttt{p4}` in colloidal affinity law particle surface diffusion relation + :math:`D_{s, i, m} = \tilde{D}_{s, i, m} \left[ p_{4, i, m} \left( k_{i, m} \left( c_{0}^{p} \right) \right)^{p_{5, i, m}} p_{6, i, m} exp \left( p_{7, i, m} k_{i, m} \left( c_{0}^{p} \right) \right) \right]` + where :math:`\tilde{D}_{s, i, m}` is the original surface diffusion coefficient and + :math:`k_{i, m} \left( c_{0}^{p} \right) = p_{1, i, m}\left( c_{0}^{p} \right)^{p_{2, i, m}} + p_{3, i, m}`. + Only required if :math:`\texttt{PAR_SURFDIFFUSION_DEP}` is :math:`\texttt{LIQUID_SALT_COLLOIDAL_AFFINITY}`. + + ================ ============================= =================================== + **Type:** double **Range:** :math:`\mathbb{R}` **Length:** :math:`\texttt{NBOUND}` + ================ ============================= =================================== + +``PAR_SURFDIFFUSION_POWEXP`` + + Factor :math:`\texttt{p5}` in colloidal affinity law particle surface diffusion relation + :math:`D_{s, i, m} = \tilde{D}_{s, i, m} \left[ p_{4, i, m} \left( k_{i, m} \left( c_{0}^{p} \right) \right)^{p_{5, i, m}} p_{6, i, m} exp \left( p_{7, i, m} k_{i, m} \left( c_{0}^{p} \right) \right) \right]` + where :math:`\tilde{D}_{s, i, m}` is the original surface diffusion coefficient and + :math:`k_{i, m} \left( c_{0}^{p} \right) = p_{1, i, m}\left( c_{0}^{p} \right)^{p_{2, i, m}} + p_{3, i, m}`. + Only required if :math:`\texttt{PAR_SURFDIFFUSION_DEP}` is :math:`\texttt{LIQUID_SALT_COLLOIDAL_AFFINITY}`. + + ================ ============================= =================================== + **Type:** double **Range:** :math:`\mathbb{R}` **Length:** :math:`\texttt{NBOUND}` + ================ ============================= =================================== + + ``PAR_SURFDIFFUSION_EXPFACTOR`` + :math:`D_{s, i, m} = \tilde{D}_{s, i, m} \left[ p_{4, i, m} \left( k_{i, m} \left( c_{0}^{p} \right) \right)^{p_{5, i, m}} p_{6, i, m} exp \left( p_{7, i, m} k_{i, m} \left( c_{0}^{p} \right) \right) \right]` + where :math:`\tilde{D}_{s, i, m}` is the original surface diffusion coefficient and + :math:`k_{i, m} \left( c_{0}^{p} \right) = p_{1, i, m}\left( c_{0}^{p} \right)^{p_{2, i, m}} + p_{3, i, m}`. + Only required if :math:`\texttt{PAR_SURFDIFFUSION_DEP}` is :math:`\texttt{LIQUID_SALT_COLLOIDAL_AFFINITY}`. + + ================ ============================= =================================== + **Type:** double **Range:** :math:`\mathbb{R}` **Length:** :math:`\texttt{NBOUND}` + ================ ============================= =================================== + +``PAR_SURFDIFFUSION_POWEXP`` + + Factor :math:`\texttt{p5}` in colloidal affinity law particle surface diffusion relation + :math:`D_{s, i, m} = \tilde{D}_{s, i, m} \left[ p_{4, i, m} \left( k_{i, m} \left( c_{0}^{p} \right) \right)^{p_{5, i, m}} p_{6, i, m} exp \left( p_{7, i, m} k_{i, m} \left( c_{0}^{p} \right) \right) \right]` + where :math:`\tilde{D}_{s, i, m}` is the original surface diffusion coefficient and + :math:`k_{i, m} \left( c_{0}^{p} \right) = p_{1, i, m}\left( c_{0}^{p} \right)^{p_{2, i, m}} + p_{3, i, m}`. + Only required if :math:`\texttt{PAR_SURFDIFFUSION_DEP}` is :math:`\texttt{LIQUID_SALT_COLLOIDAL_AFFINITY}`. + + ================ ============================= =================================== + **Type:** double **Range:** :math:`\mathbb{R}` **Length:** :math:`\texttt{NBOUND}` + ================ ============================= =================================== diff --git a/doc/interface/unit_operations/general_rate_model.rst b/doc/interface/unit_operations/general_rate_model.rst index c6bd0ee15..f28abfafe 100644 --- a/doc/interface/unit_operations/general_rate_model.rst +++ b/doc/interface/unit_operations/general_rate_model.rst @@ -275,141 +275,7 @@ For information on model equations, refer to :ref:`general_rate_model_model`. ``PAR_SURFDIFFUSION_DEP`` - Parameter dependence of :math:`\texttt{PAR_SURFDIFFUSION}`. Valid dependencies are: - - - :math:`\texttt{NONE}` Original parameter is used unmodified. - - :math:`\texttt{LIQUID_SALT_EXPONENTIAL}` Original parameter is modified by exponential law of liquid phase salt concentration. - - :math:`\texttt{LIQUID_SALT_POWER}` Original parameter is modified by power law of liquid phase salt concentration. - - :math:`\texttt{LIQUID_SALT_COLLOIDAL_AFFINITY}` Original parameter is modified by colloidal binding affinity based on liquid phase salt concentration. - - Optional: If left out, no parameter dependence is assumed and the original surface diffusion coefficients are used unmodified. - - - ================ ========================================= - **Type:** string **Length:** :math:`1 / \texttt{NPARTYPE}` - ================ ========================================= - -``PAR_SURFDIFFUSION_EXPFACTOR`` - - Factor :math:`\texttt{p1}` in exponential law particle surface diffusion relation - :math:`D_{s, i, m} = \tilde{D}_{s, i, m} p_{1, i, m} exp \left(p_{2, i, m} c_{0}^{p} \right)` - where :math:`\tilde{D}_{s, i, m}` is the original surface diffusion coefficient. Only required if :math:`\texttt{PAR_SURFDIFFUSION_DEP}` is :math:`\texttt{LIQUID_SALT_EXPONENTIAL}`. - - ================ ========================= =================================== - **Type:** double **Range:** :math:`\geq 0` **Length:** :math:`\texttt{NBOUND}` - ================ ========================= =================================== - -``PAR_SURFDIFFUSION_EXPARGMULT`` - - Factor :math:`\texttt{p2}` in exponential law particle surface diffusion relation - :math:`D_{s, i, m} = \tilde{D}_{s, i, m} p_{1, i, m} exp \left(p_{2, i, m} c_{0}^{p} \right)` - where :math:`\tilde{D}_{s, i, m}` is the original surface diffusion coefficient. Only required if :math:`\texttt{PAR_SURFDIFFUSION_DEP}` is :math:`\texttt{LIQUID_SALT_EXPONENTIAL}`. - - ================ ============================= =================================== - **Type:** double **Range:** :math:`\mathbb{R}` **Length:** :math:`\texttt{NBOUND}` - ================ ============================= =================================== - -``PAR_SURFDIFFUSION_POWFACTOR`` - - Factor :math:`\texttt{p1}` in power law particle surface diffusion relation - :math:`D_{s, i, m} = \tilde{D}_{s, i, m} p_{1, i, m} \left( c_{0}^{p} \right)^{p_{2, i, m}}` - where :math:`\tilde{D}_{s, i, m}` is the original surface diffusion coefficient. Only required if :math:`\texttt{PAR_SURFDIFFUSION_DEP}` is :math:`\texttt{LIQUID_SALT_POWER}`. - - ================ ========================= =================================== - **Type:** double **Range:** :math:`\geq 0` **Length:** :math:`\texttt{NBOUND}` - ================ ========================= =================================== - -``PAR_SURFDIFFUSION_POWEXP`` - - Fjactor :math:`\texttt{p2}` in power law particle surface diffusion relation - :math:`D_{s, i, m} = \tilde{D}_{s, i, m} p_{1, i, m} \left( c_{0}^{p} \right)^{p_{2, i, m}}` - where :math:`\tilde{D}_{s, i, m}` is the original surface diffusion coefficient. Only required if :math:`\texttt{PAR_SURFDIFFUSION_DEP}` is :math:`\texttt{LIQUID_SALT_POWER}`. - - ================ ============================= =================================== - **Type:** double **Range:** :math:`\mathbb{R}` **Length:** :math:`\texttt{NBOUND}` - ================ ============================= =================================== - -``PAR_SURFDIFFUSION_LOGKEQFACTOR`` - - Factor :math:`\texttt{p1}` in colloidal affinity law particle surface diffusion relation - :math:`D_{s, i, m} = \tilde{D}_{s, i, m} \left[ p_{4, i, m} \left( k_{i, m} \left( c_{0}^{p} \right) \right)^{p_{5, i, m}} p_{6, i, m} exp \left( p_{7, i, m} k_{i, m} \left( c_{0}^{p} \right) \right) \right]` - where :math:`\tilde{D}_{s, i, m}` is the original surface diffusion coefficient and - :math:`k_{i, m} \left( c_{0}^{p} \right) = p_{1, i, m}\left( c_{0}^{p} \right)^{p_{2, i, m}} + p_{3, i, m}`. - Only required if :math:`\texttt{PAR_SURFDIFFUSION_DEP}` is :math:`\texttt{LIQUID_SALT_COLLOIDAL_AFFINITY}`. - - ================ ============================= =================================== - **Type:** double **Range:** :math:`\mathbb{R}` **Length:** :math:`\texttt{NBOUND}` - ================ ============================= =================================== - -``PAR_SURFDIFFUSION_LOGKEQEXP`` - - Factor :math:`\texttt{p2}` in colloidal affinity law particle surface diffusion relation - :math:`D_{s, i, m} = \tilde{D}_{s, i, m} \left[ p_{4, i, m} \left( k_{i, m} \left( c_{0}^{p} \right) \right)^{p_{5, i, m}} p_{6, i, m} exp \left( p_{7, i, m} k_{i, m} \left( c_{0}^{p} \right) \right) \right]` - where :math:`\tilde{D}_{s, i, m}` is the original surface diffusion coefficient and - :math:`k_{i, m} \left( c_{0}^{p} \right) = p_{1, i, m}\left( c_{0}^{p} \right)^{p_{2, i, m}} + p_{3, i, m}`. - Only required if :math:`\texttt{PAR_SURFDIFFUSION_DEP}` is :math:`\texttt{LIQUID_SALT_COLLOIDAL_AFFINITY}`. - - ================ ============================= =================================== - **Type:** double **Range:** :math:`\mathbb{R}` **Length:** :math:`\texttt{NBOUND}` - ================ ============================= =================================== - -``PAR_SURFDIFFUSION_LOGKEQCONST`` - - Factor :math:`\texttt{p3}` in colloidal affinity law particle surface diffusion relation - :math:`D_{s, i, m} = \tilde{D}_{s, i, m} \left[ p_{4, i, m} \left( k_{i, m} \left( c_{0}^{p} \right) \right)^{p_{5, i, m}} p_{6, i, m} exp \left( p_{7, i, m} k_{i, m} \left( c_{0}^{p} \right) \right) \right]` - where :math:`\tilde{D}_{s, i, m}` is the original surface diffusion coefficient and - :math:`k_{i, m} \left( c_{0}^{p} \right) = p_{1, i, m}\left( c_{0}^{p} \right)^{p_{2, i, m}} + p_{3, i, m}`. - Only required if :math:`\texttt{PAR_SURFDIFFUSION_DEP}` is :math:`\texttt{LIQUID_SALT_COLLOIDAL_AFFINITY}`. - - ================ ============================= =================================== - **Type:** double **Range:** :math:`\mathbb{R}` **Length:** :math:`\texttt{NBOUND}` - ================ ============================= =================================== - -``PAR_SURFDIFFUSION_POWFACTOR`` - - Factor :math:`\texttt{p4}` in colloidal affinity law particle surface diffusion relation - :math:`D_{s, i, m} = \tilde{D}_{s, i, m} \left[ p_{4, i, m} \left( k_{i, m} \left( c_{0}^{p} \right) \right)^{p_{5, i, m}} p_{6, i, m} exp \left( p_{7, i, m} k_{i, m} \left( c_{0}^{p} \right) \right) \right]` - where :math:`\tilde{D}_{s, i, m}` is the original surface diffusion coefficient and - :math:`k_{i, m} \left( c_{0}^{p} \right) = p_{1, i, m}\left( c_{0}^{p} \right)^{p_{2, i, m}} + p_{3, i, m}`. - Only required if :math:`\texttt{PAR_SURFDIFFUSION_DEP}` is :math:`\texttt{LIQUID_SALT_COLLOIDAL_AFFINITY}`. - - ================ ============================= =================================== - **Type:** double **Range:** :math:`\mathbb{R}` **Length:** :math:`\texttt{NBOUND}` - ================ ============================= =================================== - -``PAR_SURFDIFFUSION_POWEXP`` - - Factor :math:`\texttt{p5}` in colloidal affinity law particle surface diffusion relation - :math:`D_{s, i, m} = \tilde{D}_{s, i, m} \left[ p_{4, i, m} \left( k_{i, m} \left( c_{0}^{p} \right) \right)^{p_{5, i, m}} p_{6, i, m} exp \left( p_{7, i, m} k_{i, m} \left( c_{0}^{p} \right) \right) \right]` - where :math:`\tilde{D}_{s, i, m}` is the original surface diffusion coefficient and - :math:`k_{i, m} \left( c_{0}^{p} \right) = p_{1, i, m}\left( c_{0}^{p} \right)^{p_{2, i, m}} + p_{3, i, m}`. - Only required if :math:`\texttt{PAR_SURFDIFFUSION_DEP}` is :math:`\texttt{LIQUID_SALT_COLLOIDAL_AFFINITY}`. - - ================ ============================= =================================== - **Type:** double **Range:** :math:`\mathbb{R}` **Length:** :math:`\texttt{NBOUND}` - ================ ============================= =================================== - - ``PAR_SURFDIFFUSION_EXPFACTOR`` - :math:`D_{s, i, m} = \tilde{D}_{s, i, m} \left[ p_{4, i, m} \left( k_{i, m} \left( c_{0}^{p} \right) \right)^{p_{5, i, m}} p_{6, i, m} exp \left( p_{7, i, m} k_{i, m} \left( c_{0}^{p} \right) \right) \right]` - where :math:`\tilde{D}_{s, i, m}` is the original surface diffusion coefficient and - :math:`k_{i, m} \left( c_{0}^{p} \right) = p_{1, i, m}\left( c_{0}^{p} \right)^{p_{2, i, m}} + p_{3, i, m}`. - Only required if :math:`\texttt{PAR_SURFDIFFUSION_DEP}` is :math:`\texttt{LIQUID_SALT_COLLOIDAL_AFFINITY}`. - - ================ ============================= =================================== - **Type:** double **Range:** :math:`\mathbb{R}` **Length:** :math:`\texttt{NBOUND}` - ================ ============================= =================================== - -``PAR_SURFDIFFUSION_POWEXP`` - - Factor :math:`\texttt{p5}` in colloidal affinity law particle surface diffusion relation - :math:`D_{s, i, m} = \tilde{D}_{s, i, m} \left[ p_{4, i, m} \left( k_{i, m} \left( c_{0}^{p} \right) \right)^{p_{5, i, m}} p_{6, i, m} exp \left( p_{7, i, m} k_{i, m} \left( c_{0}^{p} \right) \right) \right]` - where :math:`\tilde{D}_{s, i, m}` is the original surface diffusion coefficient and - :math:`k_{i, m} \left( c_{0}^{p} \right) = p_{1, i, m}\left( c_{0}^{p} \right)^{p_{2, i, m}} + p_{3, i, m}`. - Only required if :math:`\texttt{PAR_SURFDIFFUSION_DEP}` is :math:`\texttt{LIQUID_SALT_COLLOIDAL_AFFINITY}`. - - ================ ============================= =================================== - **Type:** double **Range:** :math:`\mathbb{R}` **Length:** :math:`\texttt{NBOUND}` - ================ ============================= =================================== + Parameter dependence of :math:`\texttt{PAR_SURFDIFFUSION}`, please refer to :ref:`parameter_dependencies`, section parameter-state dependencies, for more information. ``VELOCITY``