Module: SolventSolutionModeler

Defines the solvent model to use in solution calculations and provides methods to retrieve solvent properties (density, molecular weight, specific heat).

Three solvent models are supported:

  1. WATER/AQUEOUS (0, Default):

    • Uses water constants defined in Constants
    • Density from Constants.DENSITY_OF_WATER
    • Molecular weight from Constants.MW_OF_WATER
    • Specific heat from Constants.CP_OF_WATER

  2. NONWATER/NONAQUEOUS (1):

    • Uses properties of the specie with id=0 from KnowledgeBase
    • Density from specie.getDensity()
    • Molecular weight from specie.getMolecularWeight()
    • Specific heat from specie.getCp()

  3. UNDEFINED/NOSOLVENT (2):

    • Assumes no specific solvent in the system
    • Calculations are based on the mixture of species
    • Requires SolventConcentrationModel (solventConcentration parameter in solutionModellers in configuration.json) to be set as SOLVENTFINITE
    • Automatically switches to NONWATER if SolventConcentrationModel is SOLVENTINFINITE
    • Property methods should not be called when using this model
Properties:
Name Type Description
DEFAULT number

The default model (0)
WATER/AQUEOUS number

Uses water constants (0)
NONWATER/NONAQUEOUS number

Uses properties of specie with id=0 (1)
UNDEFINED/NOSOLVENT number

No specific solvent (2)
simulationModel number

The currently active simulation model
Source: