Solubility

Computes Solubility from equilibrium sublimation thermodynamics. Needs input data with crystal enthalpy (part III Floe), entropy, vacuum entropy and solvation free energy.

Promoted Parameters

• out (dataset_out) : Resulting Dataset containing Solubility data.

  Default: solubility
• failure (dataset_out) : Failures of Solubility calculations.

  Default: failure
• in (data_source) : Input Dataset containing records with equilibrium thermodynamics data. The input records need to contain crystal sublimation enthalpy, crystal and vacuum entropies and solvation free energy. First two quantities are computed with workfloes from Crystal Math Floes package, vacuum entropy with QM Floes package, and solvation free energy with Classic Floes package.