Properties of a single species. More...

#include <vcs_SpeciesProperties.h>

Detailed Description

Properties of a single species.

Definition at line 18 of file vcs_SpeciesProperties.h.

Public Member Functions
	vcs_SpeciesProperties (size_t indexPhase, size_t indexSpeciesPhase, vcs_VolPhase *owning)

Public Attributes
size_t	IndexPhase

size_t	IndexSpeciesPhase

vcs_VolPhase *	OwningPhase

size_t	NumElements

string	SpName
	Name of the species.

VCS_SPECIES_THERMO *	SpeciesThermo = nullptr
	Pointer to the thermo structure for this species.

double	WtSpecies = 0.0
	Molecular Weight of the species (gm/mol)

vector< double >	FormulaMatrixCol
	Column of the formula matrix, comprising the element composition of the species.

double	Charge = 0.0
	Charge state of the species -> This may be duplication of what's in the FormulaMatrixCol entries.

int	SurfaceSpecies = 0
	True if this species belongs to a surface phase.

double	VolPM = 0.0
	Partial molar volume of the species.

double	ReferenceMoleFraction = 1e-6
	Representative value of the mole fraction of this species in a phase.

Constructor & Destructor Documentation

◆ vcs_SpeciesProperties()

vcs_SpeciesProperties	(	size_t	indexPhase,
		size_t	indexSpeciesPhase,
		vcs_VolPhase *	owning
	)

inline

Definition at line 59 of file vcs_SpeciesProperties.h.

Member Data Documentation

◆ IndexPhase

size_t IndexPhase

Definition at line 21 of file vcs_SpeciesProperties.h.

◆ IndexSpeciesPhase

size_t IndexSpeciesPhase

Definition at line 22 of file vcs_SpeciesProperties.h.

◆ OwningPhase

vcs_VolPhase* OwningPhase

Definition at line 23 of file vcs_SpeciesProperties.h.

◆ NumElements

size_t NumElements

Definition at line 24 of file vcs_SpeciesProperties.h.

◆ SpName

string SpName

Name of the species.

Definition at line 27 of file vcs_SpeciesProperties.h.

◆ SpeciesThermo

VCS_SPECIES_THERMO* SpeciesThermo = nullptr

Pointer to the thermo structure for this species.

Definition at line 30 of file vcs_SpeciesProperties.h.

◆ WtSpecies

double WtSpecies = 0.0

Molecular Weight of the species (gm/mol)

Definition at line 33 of file vcs_SpeciesProperties.h.

◆ FormulaMatrixCol

vector<double> FormulaMatrixCol

Column of the formula matrix, comprising the element composition of the species.

Definition at line 37 of file vcs_SpeciesProperties.h.

◆ Charge

double Charge = 0.0

Charge state of the species -> This may be duplication of what's in the FormulaMatrixCol entries.

However, it's prudent to separate it out.

Definition at line 41 of file vcs_SpeciesProperties.h.

◆ SurfaceSpecies

int SurfaceSpecies = 0

True if this species belongs to a surface phase.

Definition at line 44 of file vcs_SpeciesProperties.h.

◆ VolPM

double VolPM = 0.0

Partial molar volume of the species.

Definition at line 52 of file vcs_SpeciesProperties.h.

◆ ReferenceMoleFraction

double ReferenceMoleFraction = 1e-6

Representative value of the mole fraction of this species in a phase.

This value is used for convergence issues and for calculation of numerical derivatives

Definition at line 57 of file vcs_SpeciesProperties.h.

The documentation for this class was generated from the following file:

vcs_SpeciesProperties.h