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ReactionMechanismGenerator · Aug 21, 2017 · 9c6b1be · 9c6b1be
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diff --git a/input/kinetics/families/Birad_R_Recombination/training/reactions.py b/input/kinetics/families/Birad_R_Recombination/training/reactions.py
@@ -57,7 +57,7 @@
 #u"""
 #Taken from the SOxNOx library, Part of the "SOx" subset
 #T range: 200-2000 K
-#A. Goumri, J-D.R. Rocha, D. Laakso, C.E. Smith, P. Marshall, J. Phys. Chem. A, 1999, 103(51), 11328–11335 doi: 10.1021/jp9924070
+#A. Goumri, J-D.R. Rocha, D. Laakso, C.E. Smith, P. Marshall, J. Phys. Chem. A, 1999, 103(51), 11328-11335 doi: 10.1021/jp9924070
 #Table 7 on p. 11333
 #calculations done at the QCISD(T)/6-311+G(3df,2p)//MP2=FULL/6-31G(d) level of theory
 #Originally a Troe expression was given, only k_inf is taken here

diff --git a/input/kinetics/families/H_Abstraction/training/reactions.py b/input/kinetics/families/H_Abstraction/training/reactions.py
@@ -1878,9 +1878,9 @@
 u"""
 Experimental measurements
 
-Michael Röhrig and Heinz Georg Wagner
-A kinetic study about the reactions of NH(X3Σ−) with hydrocarbons part 1: Saturated hydrocarbons and acetaldehyde
-Berichte der Bunsengesellschaft für physikalische Chemie Volume 98, Issue 6, pages 858–863, June 1994
+Michael Rohrig and Heinz Georg Wagner
+A kinetic study about the reactions of NH(X3\Sigma-) with hydrocarbons part 1: Saturated hydrocarbons and acetaldehyde
+Berichte der Bunsengesellschaft fur physikalische Chemie Volume 98, Issue 6, pages 858-863, June 1994
 DOI: 10.1002/bbpc.19940980615
 """,
 )
@@ -1903,9 +1903,9 @@
 u"""
 Experimental measurements
 
-Michael Röhrig and Heinz Georg Wagner
-A kinetic study about the reactions of NH(X3Σ−) with hydrocarbons part 1: Saturated hydrocarbons and acetaldehyde
-Berichte der Bunsengesellschaft für physikalische Chemie Volume 98, Issue 6, pages 858–863, June 1994
+Michael Rohrig and Heinz Georg Wagner
+A kinetic study about the reactions of NH(X3\Sigma-) with hydrocarbons part 1: Saturated hydrocarbons and acetaldehyde
+Berichte der Bunsengesellschaft fur physikalische Chemie Volume 98, Issue 6, pages 858-863, June 1994
 DOI: 10.1002/bbpc.19940980615
 """,
 )
@@ -1928,8 +1928,8 @@
 u"""
 calculated at UQCISD(T)/6-311G** level
 Zhen-Feng Xu and Jia-Zhong Sun
-Theoretical Study on the Reaction Path and Variational Rate Constant of the Reaction HNCO + NH → NCO + NH2
-J. Phys. Chem. A, 1998, 102 (7), pp 1194–1199
+Theoretical Study on the Reaction Path and Variational Rate Constant of the Reaction HNCO + NH => NCO + NH2
+J. Phys. Chem. A, 1998, 102 (7), pp 1194-1199
 DOI: 10.1021/jp972959n
 """,
 )
@@ -1950,7 +1950,7 @@
     longDesc = 
 u"""
 Rate comes from quantum calculation at CBS-QB3 level
-J. Phys. Chem. A 2016, 120, 8941−8948; doi: 10.1021/acs.jpca.6b09357
+J. Phys. Chem. A 2016, 120, 8941-8948; doi: 10.1021/acs.jpca.6b09357
 """,
 )
 
@@ -1970,7 +1970,7 @@
     longDesc = 
 u"""
 Rate comes from quantum calculation at CBS-QB3 level
-J. Phys. Chem. A 2016, 120, 8941−8948; doi: 10.1021/acs.jpca.6b09357
+J. Phys. Chem. A 2016, 120, 8941-8948; doi: 10.1021/acs.jpca.6b09357
 """,
 )
 
@@ -1990,7 +1990,7 @@
     longDesc = 
 u"""
 Rate comes from quantum calculation at CBS-QB3 level
-J. Phys. Chem. A 2016, 120, 8941−8948; doi: 10.1021/acs.jpca.6b09357
+J. Phys. Chem. A 2016, 120, 8941-8948; doi: 10.1021/acs.jpca.6b09357
 """,
 )
 
@@ -2010,7 +2010,7 @@
     longDesc = 
 u"""
 Rate comes from quantum calculation at CBS-QB3 level
-J. Phys. Chem. A 2016, 120, 8941−8948; doi: 10.1021/acs.jpca.6b09357
+J. Phys. Chem. A 2016, 120, 8941-8948; doi: 10.1021/acs.jpca.6b09357
 """,
 )
 
@@ -2030,7 +2030,7 @@
     longDesc = 
 u"""
 Rate comes from quantum calculation at CBS-QB3 level
-J. Phys. Chem. A 2016, 120, 8941−8948; doi: 10.1021/acs.jpca.6b09357
+J. Phys. Chem. A 2016, 120, 8941-8948; doi: 10.1021/acs.jpca.6b09357
 """,
 )
 
@@ -2050,7 +2050,7 @@
     longDesc = 
 u"""
 Rate comes from quantum calculation at CBS-QB3 level
-J. Phys. Chem. A 2016, 120, 8941−8948; doi: 10.1021/acs.jpca.6b09357
+J. Phys. Chem. A 2016, 120, 8941-8948; doi: 10.1021/acs.jpca.6b09357
 """,
 )
 
@@ -2070,7 +2070,7 @@
     longDesc = 
 u"""
 Rate comes from quantum calculation at CBS-QB3 level
-J. Phys. Chem. A 2016, 120, 8941−8948; doi: 10.1021/acs.jpca.6b09357
+J. Phys. Chem. A 2016, 120, 8941-8948; doi: 10.1021/acs.jpca.6b09357
 """,
 )
 
@@ -2090,7 +2090,7 @@
     longDesc = 
 u"""
 Rate comes from quantum calculation at CBS-QB3 level
-J. Phys. Chem. A 2016, 120, 8941−8948; doi: 10.1021/acs.jpca.6b09357
+J. Phys. Chem. A 2016, 120, 8941-8948; doi: 10.1021/acs.jpca.6b09357
 """,
 )
 
@@ -2110,7 +2110,7 @@
     longDesc = 
 u"""
 Rate comes from quantum calculation at CBS-QB3 level
-J. Phys. Chem. A 2016, 120, 8941−8948; doi: 10.1021/acs.jpca.6b09357
+J. Phys. Chem. A 2016, 120, 8941-8948; doi: 10.1021/acs.jpca.6b09357
 """,
 )
 
@@ -2130,7 +2130,7 @@
     longDesc = 
 u"""
 Rate comes from quantum calculation at CBS-QB3 level
-J. Phys. Chem. A 2016, 120, 8941−8948; doi: 10.1021/acs.jpca.6b09357
+J. Phys. Chem. A 2016, 120, 8941-8948; doi: 10.1021/acs.jpca.6b09357
 """,
 )
 
@@ -2150,7 +2150,7 @@
     longDesc = 
 u"""
 Rate comes from quantum calculation at CBS-QB3 level
-J. Phys. Chem. A 2016, 120, 8941−8948; doi: 10.1021/acs.jpca.6b09357
+J. Phys. Chem. A 2016, 120, 8941-8948; doi: 10.1021/acs.jpca.6b09357
 """,
 )
 
@@ -2193,7 +2193,7 @@
     shortDesc = u"""Training reaction from kinetics library: SOxNOx""",
     longDesc = 
 u"""
-D.F. Davidson, R.K. Hanson, Int. J. Chem. Kin., 1990, 22(8), 843–861, doi: 10.1002/kin.550220805
+D.F. Davidson, R.K. Hanson, Int. J. Chem. Kin., 1990, 22(8), 843-861, doi: 10.1002/kin.550220805
 """,
 )
 
@@ -2237,7 +2237,7 @@
 u"""
 P. Raghunath, N.T. Nghia, M.C. Lin, Advances in Quantum Chemistry, 2014, 69, 253-301, doi: 10.1016/B978-0-12-800345-9.00007-6
 p. 265
-calculations done at the G2M(CC2)//B3LYP/6-311þþG(3df,2p) level of theoty
+calculations done at the G2M(CC2)//B3LYP/6-311++G(3df,2p) level of theoty
 """,
 )
 
@@ -2252,7 +2252,7 @@
 u"""
 P. Raghunath, N.T. Nghia, M.C. Lin, Advances in Quantum Chemistry, 2014, 69, 253-301, doi: 10.1016/B978-0-12-800345-9.00007-6
 p. 269
-CCSD(T)//BHandHLYP/6-311þþG(3df,2p) level of theoty
+CCSD(T)//BHandHLYP/6-311++G(3df,2p) level of theoty
 Pressure independent at least up to 100 atm
 """,
 )
@@ -2358,7 +2358,7 @@
     longDesc = 
 u"""
 Shock Tube
-H. Shiina, M. Oya, K. Yamashita, A. Miyoshi, H. Matsui, J. Phys. Chem., 1996, 100(6), 2136–2140, doi: 10.1021/jp952472j
+H. Shiina, M. Oya, K. Yamashita, A. Miyoshi, H. Matsui, J. Phys. Chem., 1996, 100(6), 2136-2140, doi: 10.1021/jp952472j
 """,
 )
 
@@ -2371,7 +2371,7 @@
     shortDesc = u"""Training reaction from kinetics library: SOxNOx""",
     longDesc = 
 u"""
-K. Tsuchiya, K. Yamashita, A. Miyoshi, H. Matsui, J. Phys. Chem., 1996, 100(43), 17202–17206, doi: 10.1021/jp961252i
+K. Tsuchiya, K. Yamashita, A. Miyoshi, H. Matsui, J. Phys. Chem., 1996, 100(43), 17202-17206, doi: 10.1021/jp961252i
 Shock Tube
 T > 830 K
 """,
@@ -2386,7 +2386,7 @@
     shortDesc = u"""Training reaction from kinetics library: SOxNOx""",
     longDesc = 
 u"""
-K. Tsuchiya, K. Yamashita, A. Miyoshi, H. Matsui, J. Phys. Chem., 1996, 100(43), 17202–17206, doi: 10.1021/jp961252i
+K. Tsuchiya, K. Yamashita, A. Miyoshi, H. Matsui, J. Phys. Chem., 1996, 100(43), 17202-17206, doi: 10.1021/jp961252i
 Shock Tube
 T > 830 K
 """,
@@ -2443,7 +2443,7 @@
     shortDesc = u"""Training reaction from kinetics library: SOxNOx""",
     longDesc = 
 u"""
-C.C. Hsu, M.C. Lin, A.M. Mebel, C.F. Melius, J. Phys. Chem. A, 1997, 101(1), 60–66, doi: 10.1021/jp962286t
+C.C. Hsu, M.C. Lin, A.M. Mebel, C.F. Melius, J. Phys. Chem. A, 1997, 101(1), 60-66, doi: 10.1021/jp962286t
 G2 and BAC-MP4
 """,
 )
@@ -2500,7 +2500,7 @@
     longDesc = 
 u"""
 Z.F. Xu, M.C. Lin, Int. J. Chem. Kin., 2003, 35(5), 184-190, doi: 10.1002/kin.10115
-calculations done at the G2M//B3LYP/6−311+G(d,p) and G2M//MPW1PW91/6−311+G(3df,2p) levels of theory
+calculations done at the G2M//B3LYP/6-311+G(d,p) and G2M//MPW1PW91/6-311+G(3df,2p) levels of theory
 * There are two other pathways for the formation of these products, this is the fastest one. k_tot was also given in the paper.
 """,
 )

diff --git a/input/kinetics/families/R_Recombination/rules.py b/input/kinetics/families/R_Recombination/rules.py
@@ -2437,7 +2437,7 @@
     longDesc = 
 u"""
 J. Hahn, K. Luther and J. Troe
-Experimental and theoretical study of the temperature and pressure dependences of the recombination reactions O + NO2(+M) → NO3(+M) and NO2 + NO3(+M) → N2O5(+M)
+Experimental and theoretical study of the temperature and pressure dependences of the recombination reactions O + NO2(+M) => NO3(+M) and NO2 + NO3(+M) => N2O5(+M)
 Phys. Chem. Chem. Phys., 2000, 2, 5098-5104
 DOI: 10.1039/B005756H
 
@@ -2475,8 +2475,8 @@
     longDesc = 
 u"""
 J. Troe
-Analysis of the temperature and pressure dependence of the reaction HO + NO2 + M ⇔ HONO2 + M
-International Journal of Chemical Kinetics, Volume 33, Issue 12 December 2001 Pages 878–889
+Analysis of the temperature and pressure dependence of the reaction HO + NO2 + M = HONO2 + M
+International Journal of Chemical Kinetics, Volume 33, Issue 12 December 2001 Pages 878-889
 DOI: 10.1002/kin.10019
 
 NO2 + OH <=> HONO2; T range: 50 to 1400 K, P range: 10E-4 to 10E3 bar

diff --git a/input/kinetics/families/R_Recombination/training/reactions.py b/input/kinetics/families/R_Recombination/training/reactions.py
@@ -270,7 +270,7 @@
 u"""
 P. Glarborg, A.B. Bendtsen, J.A. Miller
 Nitromethane Dissociation: Implications for the CH3 + NO2 Reaction
-International Journal of Chemical Kinetics Volume 31, Issue 9, pages 591–602, 1999
+International Journal of Chemical Kinetics Volume 31, Issue 9, pages 591-602, 1999
 DOI: 10.1002/(SICI)1097-4601(1999)31:9<591::AID-KIN1>3.0.CO;2-E
 
 Also appears in the Nitrogen_Glarborg_Zhang_et_al library (index 671)

diff --git a/input/kinetics/libraries/BurkeH2O2inArHe/reactions.py b/input/kinetics/libraries/BurkeH2O2inArHe/reactions.py
@@ -7,7 +7,7 @@
 Comprehensive H2/O2 kinetic model for high-pressure combustion
 M.P. Burke, M. Chaos, Y. Ju, F.L. Dryer, S.J. Klippenstein
 International Journal of Chemical Kinetics
-Volume 44, Issue 7, pages 444–474, July 2012
+Volume 44, Issue 7, pages 444-474, July 2012
 DOI: 10.1002/kin.20603
 
 In this version of the library, the reaction H+O2(+M)=HO2(+M)
@@ -274,6 +274,6 @@
             Arrhenius(A=(7.59e+13, 'cm^3/(mol*s)'), n=0, Ea=(7270, 'cal/mol'), T0=(1, 'K')),
         ],
     ),
-    shortDesc = u"""Hong et al., J. Phys. Chem. A 114 (2010) 5718–5727""",
+    shortDesc = u"""Hong et al., J. Phys. Chem. A 114 (2010) 5718-5727""",
 )
 
diff --git a/input/kinetics/libraries/BurkeH2O2inN2/reactions.py b/input/kinetics/libraries/BurkeH2O2inN2/reactions.py
@@ -7,7 +7,7 @@
 Comprehensive H2/O2 kinetic model for high-pressure combustion
 M.P. Burke, M. Chaos, Y. Ju, F.L. Dryer, S.J. Klippenstein
 International Journal of Chemical Kinetics
-Volume 44, Issue 7, pages 444–474, July 2012
+Volume 44, Issue 7, pages 444-474, July 2012
 DOI: 10.1002/kin.20603
 
 In this version of the library, the reaction H+O2(+M)=HO2(+M)
@@ -274,6 +274,6 @@
             Arrhenius(A=(7.59e+13, 'cm^3/(mol*s)'), n=0, Ea=(7270, 'cal/mol'), T0=(1, 'K')),
         ],
     ),
-    shortDesc = u"""Hong et al., J. Phys. Chem. A 114 (2010) 5718–5727""",
+    shortDesc = u"""Hong et al., J. Phys. Chem. A 114 (2010) 5718-5727""",
 )
 
diff --git a/input/kinetics/libraries/C10H11/reactions.py b/input/kinetics/libraries/C10H11/reactions.py
@@ -8,7 +8,7 @@
 
 Citation:
 
-Aäron G. Vandeputte, Shamel S. Merchant, Marko R. Djokic, Kevin M. Van Geem, 
+Aaron G. Vandeputte, Shamel S. Merchant, Marko R. Djokic, Kevin M. Van Geem, 
 Guy B. Marin, William H. Green, "Detailed study of cyclopentadiene pyrolysis in the 
 presence of ethene: realistic pathways from C5H5 to naphthalene." (2016)
 """

diff --git a/input/kinetics/libraries/C3/reactions.py b/input/kinetics/libraries/C3/reactions.py
@@ -8,7 +8,7 @@
 
 Citation:
 
-Aäron G. Vandeputte, Shamel S. Merchant, Marko R. Djokic, Kevin M. Van Geem, 
+Aaron G. Vandeputte, Shamel S. Merchant, Marko R. Djokic, Kevin M. Van Geem, 
 Guy B. Marin, William H. Green, "Detailed study of cyclopentadiene pyrolysis in the 
 presence of ethene: realistic pathways from C5H5 to naphthalene." (2016)
 """

diff --git a/input/kinetics/libraries/Ethylamine/reactions.py b/input/kinetics/libraries/Ethylamine/reactions.py
@@ -7,10 +7,10 @@
 Automated Reaction Mechanism Generation Including Heteroatoms: Nitrogen
 Alon Grinberg Dana, Beat Buesser, Shamel S. Merchant, William H. Green
 Table 2
-Kinetic data for reactions 1–9, 13–24 were calculated using:
+Kinetic data for reactions 1-9, 13-24 were calculated using:
 CBS-QB3 for energy barriers, B3LYP/6-311G(2d,d,p) for partition functions, hybrid meta-GGA BMK/6-311G(2d,d,p) for addition reactions.
 
-Kinetic data for reactions 10–12 (NCC + OH) were adopted from the literature (VTST):
+Kinetic data for reactions 10-12 (NCC + OH) were adopted from the literature (VTST):
 S. Li, E. Dames, D.F. Davidson, R.K. Hanson
 "High-Temperature Measurements of the Reactions of OH with Ethylamine and Dimethylamine"
 The Journal of Physical Chemistry A, 2014, 118, 70-77, http://dx.doi.org/10.1021/jp411141w

diff --git a/input/kinetics/libraries/Fulvene_H/reactions.py b/input/kinetics/libraries/Fulvene_H/reactions.py
@@ -8,7 +8,7 @@
 
 Citation:
 
-Aäron G. Vandeputte, Shamel S. Merchant, Marko R. Djokic, Kevin M. Van Geem, 
+Aaron G. Vandeputte, Shamel S. Merchant, Marko R. Djokic, Kevin M. Van Geem, 
 Guy B. Marin, William H. Green, "Detailed study of cyclopentadiene pyrolysis in the 
 presence of ethene: realistic pathways from C5H5 to naphthalene." (2016)
 """

diff --git a/input/kinetics/libraries/JetSurF2.0/reactions.py b/input/kinetics/libraries/JetSurF2.0/reactions.py
@@ -4,7 +4,7 @@
 name = "JetSurF2.0"
 shortDesc = u""
 longDesc = u"""
-JetSurF – A Jet Surrogate Fuel Model
+JetSurF - A Jet Surrogate Fuel Model
 JetSurF is a detailed chemical reaction model for the combustion of jet-fuel surrogate.
 
 H. Wang, E. Dames, B. Sirjean, D. A. Sheen, R. Tango, A. Violi, J. Y. W. Lai, F. N. Egolfopoulos,

diff --git a/input/kinetics/libraries/Nitrogen_Glarborg_Gimenez_et_al/reactions.py b/input/kinetics/libraries/Nitrogen_Glarborg_Gimenez_et_al/reactions.py
@@ -6,7 +6,7 @@
 longDesc = u"""
 Jorge Gimenez Lopeza, Christian Lund Rasmussena, Maria U. Alzuetab, Yide Gaoc, Paul Marshall, Peter Glarborg
 Experimental and kinetic modeling study of C2H4 oxidation at high pressure
-Proceedings of the Combustion Institute Volume 32, Issue 1, 2009, Pages 367–375
+Proceedings of the Combustion Institute Volume 32, Issue 1, 2009, Pages 367-375
 """
 entry(
     index = 1,

diff --git a/input/kinetics/libraries/Nitrogen_Glarborg_Lucassen_et_al/reactions.py b/input/kinetics/libraries/Nitrogen_Glarborg_Lucassen_et_al/reactions.py
@@ -4,9 +4,9 @@
 name = "Nitrogen_Glarborg_Lucassen_et_al"
 shortDesc = u""
 longDesc = u"""
-Arnas Lucassen, Kuiwen Zhang, Julia Warkentin, Kai Moshammer, Peter Glarborg, Paul Marshall, Katharina Kohse-Höinghaus
+Arnas Lucassen, Kuiwen Zhang, Julia Warkentin, Kai Moshammer, Peter Glarborg, Paul Marshall, Katharina Kohse-Hoinghaus
 Fuel-nitrogen conversion in the combustion of small amines using dimethylamine and ethylamine as biomass-related model fuels
-Combustion and Flame 159 (2012) 2254–2279
+Combustion and Flame 159 (2012) 2254-2279
 """
 entry(
     index = 1,

diff --git a/input/kinetics/libraries/Nitrogen_Glarborg_Zhang_et_al/reactions.py b/input/kinetics/libraries/Nitrogen_Glarborg_Zhang_et_al/reactions.py
@@ -6,7 +6,7 @@
 longDesc = u"""
 Kuiwen Zhang, Lidong Zhang, Mingfeng Xie, Lili Ye, Feng Zhang, Peter Glarborg, Fei Qi
 An experimental and kinetic modeling study of premixed nitroethane flames at low pressure
-Proceedings of the Combustion Institute 34 (2013) 617–624
+Proceedings of the Combustion Institute 34 (2013) 617-624
 """
 entry(
     index = 1,

diff --git a/input/kinetics/libraries/naphthalene_H/reactions.py b/input/kinetics/libraries/naphthalene_H/reactions.py
@@ -8,7 +8,7 @@
 
 Citation:
 
-Aäron G. Vandeputte, Shamel S. Merchant, Marko R. Djokic, Kevin M. Van Geem, 
+Aaron G. Vandeputte, Shamel S. Merchant, Marko R. Djokic, Kevin M. Van Geem, 
 Guy B. Marin, William H. Green, "Detailed study of cyclopentadiene pyrolysis in the 
 presence of ethene: realistic pathways from C5H5 to naphthalene." (2016)
 """

diff --git a/input/kinetics/libraries/vinylCPD_H/reactions.py b/input/kinetics/libraries/vinylCPD_H/reactions.py
@@ -8,7 +8,7 @@
 
 Citation:
 
-Aäron G. Vandeputte, Shamel S. Merchant, Marko R. Djokic, Kevin M. Van Geem, 
+Aaron G. Vandeputte, Shamel S. Merchant, Marko R. Djokic, Kevin M. Van Geem, 
 Guy B. Marin, William H. Green, "Detailed study of cyclopentadiene pyrolysis in the 
 presence of ethene: realistic pathways from C5H5 to naphthalene." (2016)
 """

diff --git a/input/thermo/libraries/BurkeH2O2.py b/input/thermo/libraries/BurkeH2O2.py
@@ -7,7 +7,7 @@
 Comprehensive H2/O2 kinetic model for high-pressure combustion
 M.P. Burke, M. Chaos, Y. Ju, F.L. Dryer, S.J. Klippenstein
 International Journal of Chemical Kinetics
-Volume 44, Issue 7, pages 444–474, July 2012
+Volume 44, Issue 7, pages 444-474, July 2012
 DOI: 10.1002/kin.20603
 """
 

diff --git a/input/thermo/libraries/C10H11.py b/input/thermo/libraries/C10H11.py
@@ -8,7 +8,7 @@
 
 Citation:
 
-Aäron G. Vandeputte, Shamel S. Merchant, Marko R. Djokic, Kevin M. Van Geem, 
+Aaron G. Vandeputte, Shamel S. Merchant, Marko R. Djokic, Kevin M. Van Geem, 
 Guy B. Marin, William H. Green, "Detailed study of cyclopentadiene pyrolysis in the 
 presence of ethene: realistic pathways from C5H5 to naphthalene." (2016)
 """