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...

Full description

Bibliographic Details
Main Authors: Matthew Humphreys, Codacy Badger
Format: Other/Unknown Material
Language:unknown
Published: Zenodo 2019
Subjects:
Online Access:https://doi.org/10.5281/zenodo.3367299
id ftzenodo:oai:zenodo.org:3367299
record_format openpolar
spelling 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
institution Open Polar
collection Zenodo
op_collection_id ftzenodo
language unknown
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