mvdh7/pytzer: Now with carbonate and borate equilibria
Added carbonic acid and boric acid equilibrium solving; Eliminated module tables Updated functions and parameter libraries noting that <code>['Cl', 'CO3']</code> gets sorted to <code>['CO3', 'Cl']</code>; Fixed incorrect <code>alp...
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ftzenodo:oai:zenodo.org:3367299 2024-09-15T18:01:37+00:00 mvdh7/pytzer: Now with carbonate and borate equilibria Matthew Humphreys Codacy Badger 2019-08-13 https://doi.org/10.5281/zenodo.3367299 unknown Zenodo https://github.com/mvdh7/pytzer/tree/v0.4.1 https://doi.org/10.5281/zenodo.2637914 https://doi.org/10.5281/zenodo.3367299 oai:zenodo.org:3367299 info:eu-repo/semantics/openAccess Other (Open) info:eu-repo/semantics/other 2019 ftzenodo https://doi.org/10.5281/zenodo.336729910.5281/zenodo.2637914 2024-07-27T07:22:55Z Added carbonic acid and boric acid equilibrium solving; Eliminated module tables Updated functions and parameter libraries noting that <code>['Cl', 'CO3']</code> gets sorted to <code>['CO3', 'Cl']</code>; Fixed incorrect <code>alph1</code> values for all HMW 1:(>1) electrolytes; Added several new interaction parameter functions; Testing MIAMI parameter library against PM16's model: Adjusted numerical values to fix errors in some parameter functions: <code>bC_Ca_BOH4_SRM87</code>; <code>bC_K_OH_MP98</code>; <code>bC_Mg_BOH4_SRM87</code>; <code>bC_Na_Br_MP98</code>; <code>bC_Na_F_MP98</code>; <code>bC_Na_HSO4_MP98</code>; <code>bC_Sr_Cl_MP98</code>; <code>theta_K_Sr_MP98</code>; Added new MP98 functions until numerical conflicts can be resolved: <code>bC_K_CO3_MP98</code> should follow SRG87; <code>theta_H_K_MP98</code> and <code>theta_H_Na_MP98</code> should follow CMR93. Other/Unknown Material Carbonic acid Zenodo |
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description |
Added carbonic acid and boric acid equilibrium solving; Eliminated module tables Updated functions and parameter libraries noting that <code>['Cl', 'CO3']</code> gets sorted to <code>['CO3', 'Cl']</code>; Fixed incorrect <code>alph1</code> values for all HMW 1:(>1) electrolytes; Added several new interaction parameter functions; Testing MIAMI parameter library against PM16's model: Adjusted numerical values to fix errors in some parameter functions: <code>bC_Ca_BOH4_SRM87</code>; <code>bC_K_OH_MP98</code>; <code>bC_Mg_BOH4_SRM87</code>; <code>bC_Na_Br_MP98</code>; <code>bC_Na_F_MP98</code>; <code>bC_Na_HSO4_MP98</code>; <code>bC_Sr_Cl_MP98</code>; <code>theta_K_Sr_MP98</code>; Added new MP98 functions until numerical conflicts can be resolved: <code>bC_K_CO3_MP98</code> should follow SRG87; <code>theta_H_K_MP98</code> and <code>theta_H_Na_MP98</code> should follow CMR93. |
format |
Other/Unknown Material |
author |
Matthew Humphreys Codacy Badger |
spellingShingle |
Matthew Humphreys Codacy Badger mvdh7/pytzer: Now with carbonate and borate equilibria |
author_facet |
Matthew Humphreys Codacy Badger |
author_sort |
Matthew Humphreys |
title |
mvdh7/pytzer: Now with carbonate and borate equilibria |
title_short |
mvdh7/pytzer: Now with carbonate and borate equilibria |
title_full |
mvdh7/pytzer: Now with carbonate and borate equilibria |
title_fullStr |
mvdh7/pytzer: Now with carbonate and borate equilibria |
title_full_unstemmed |
mvdh7/pytzer: Now with carbonate and borate equilibria |
title_sort |
mvdh7/pytzer: now with carbonate and borate equilibria |
publisher |
Zenodo |
publishDate |
2019 |
url |
https://doi.org/10.5281/zenodo.3367299 |
genre |
Carbonic acid |
genre_facet |
Carbonic acid |
op_relation |
https://github.com/mvdh7/pytzer/tree/v0.4.1 https://doi.org/10.5281/zenodo.2637914 https://doi.org/10.5281/zenodo.3367299 oai:zenodo.org:3367299 |
op_rights |
info:eu-repo/semantics/openAccess Other (Open) |
op_doi |
https://doi.org/10.5281/zenodo.336729910.5281/zenodo.2637914 |
_version_ |
1810438730371039232 |