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 ['Cl', 'CO3'] gets sorted to ['CO3', 'Cl'] Fixed incorrect alph1 values for all HMW 1:(>1) electrolytes; Added several new...
| Main Authors: | , |
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| Format: | Article in Journal/Newspaper |
| Language: | unknown |
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Zenodo
2019
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| Subjects: | |
| Online Access: | https://dx.doi.org/10.5281/zenodo.3367299 https://zenodo.org/record/3367299 |
| Summary: | Added carbonic acid and boric acid equilibrium solving; Eliminated module tables Updated functions and parameter libraries noting that ['Cl', 'CO3'] gets sorted to ['CO3', 'Cl'] Fixed incorrect alph1 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: bC_Ca_BOH4_SRM87 bC_K_OH_MP98 bC_Mg_BOH4_SRM87 bC_Na_Br_MP98 bC_Na_F_MP98 bC_Na_HSO4_MP98 bC_Sr_Cl_MP98 theta_K_Sr_MP98 Added new MP98 functions until numerical conflicts can be resolved: bC_K_CO3_MP98 should follow SRG87; theta_H_K_MP98 and theta_H_Na_MP98 should follow CMR93. |
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