readme.md

Import ThermoChimie Thermodynamic Database from phreeqc dat format

In the downloaded phreeqc file Add SECONDARY_MASTER_SPECIES after 1.000Zr+4 = Zr+4 log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -608.5 #kJ/mol #05BRO/CUR -analytic 0E+0 0E+0 0E+0 0E+0 0E+0

• Import ThermoChimie12a Jupyter