Description
Problem
The current wrapper only recognizes solid phases defined in PHREEQC.dat. As a result, users cannot introduce new solid phases that are not already present in the database, which limits extensibility for custom minerals.
Expected Behavior
The system should provide a mechanism to define new solid phases at runtime, without requiring direct modification of PHREEQC.dat.
Proposed Solution
Introduce an interface for defining user-specified solid phases with the following properties:
Required parameters
chemical_name: Name of the soliddissolution_reaction: Stoichiometric dissolution reaction of the solidlog_k: Equilibrium constant of the dissolution reaction
Optional parameters
delta_h: Enthalpy change of the dissolution reactionV_m: Molar volume of the solid phase
Description
Problem
The current wrapper only recognizes solid phases defined in
PHREEQC.dat. As a result, users cannot introduce new solid phases that are not already present in the database, which limits extensibility for custom minerals.Expected Behavior
The system should provide a mechanism to define new solid phases at runtime, without requiring direct modification of
PHREEQC.dat.Proposed Solution
Introduce an interface for defining user-specified solid phases with the following properties:
Required parameters
chemical_name: Name of the soliddissolution_reaction: Stoichiometric dissolution reaction of the solidlog_k: Equilibrium constant of the dissolution reactionOptional parameters
delta_h: Enthalpy change of the dissolution reactionV_m: Molar volume of the solid phase