phreeqpython contains an equalize method demonstrated in this tutorial that exposes PHREEQC's solid-liquid equilibrium calculations.
A method to access this could be added to Solution. The best way to do so is probably as a keyword argument to equilibrate. For example, one could write
Using the same paradigm, it would be easy to add equilibration with atmospheric gases as another kwarg, e.g.
s1.equilibrate(solids=['Calcite'], gases=['CO2'])
Inside equlibrate, the contents of solids and gases would simply be combined into a single list and passed to equalize of the underlying phreeqpython object (accessible via the s1.engine.pp attribute)
phreeqpythoncontains anequalizemethod demonstrated in this tutorial that exposes PHREEQC's solid-liquid equilibrium calculations.A method to access this could be added to
Solution. The best way to do so is probably as a keyword argument toequilibrate. For example, one could writeUsing the same paradigm, it would be easy to add equilibration with atmospheric gases as another kwarg, e.g.
Inside
equlibrate, the contents ofsolidsandgaseswould simply be combined into a single list and passed toequalizeof the underlyingphreeqpythonobject (accessible via thes1.engine.ppattribute)