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Published August 13, 2019 | Version v0.4.1
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mvdh7/pytzer: Now with carbonate and borate equilibria

  • 1. University of East Anglia
  • 2. Codacy

Description

  • 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.

Files

mvdh7/pytzer-v0.4.1.zip

Files (127.7 kB)

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