#include <vcs_species_thermo.h>

Collaboration diagram for VCS_SPECIES_THERMO:

Public Member Functions
	VCS_SPECIES_THERMO (size_t indexPhase, size_t indexSpeciesPhase)

virtual VCS_SPECIES_THERMO *	duplMyselfAsVCS_SPECIES_THERMO ()
	Duplication function for derived classes. More...

virtual double	GStar_R_calc (size_t kspec, double TKelvin, double pres)
	This function calculates the standard state Gibbs free energy for species, kspec, at the temperature TKelvin and pressure, Pres. More...

virtual double	G0_R_calc (size_t kglob, double TKelvin)
	This function calculates the standard state Gibbs free energy for species, kspec, at the temperature TKelvin. More...

virtual double	VolStar_calc (size_t kglob, double TKelvin, double Pres)
	This function calculates the standard state molar volume for species, kspec, at the temperature TKelvin and pressure, Pres,. More...

virtual double	eval_ac (size_t kspec)
	This function evaluates the activity coefficient for species, kspec. More...

Public Attributes
size_t	IndexPhase
	Index of the phase that this species belongs to. More...

size_t	IndexSpeciesPhase
	Index of this species in the current phase. More...

vcs_VolPhase *	OwningPhase
	Pointer to the owning phase object. More...

int	SS0_Model
	Integer representing the models for the species standard state Naught temperature dependence. More...

double	SS0_feSave
	Internal storage of the last calculation of the reference naught Gibbs free energy at SS0_TSave. More...

double	SS0_TSave
	Internal storage of the last temperature used in the calculation of the reference naught Gibbs free energy. More...

double	SS0_T0
	Base temperature used in the VCS_SS0_CONSTANT_CP model. More...

double	SS0_H0
	Base enthalpy used in the VCS_SS0_CONSTANT_CP model. More...

double	SS0_S0
	Base entropy used in the VCS_SS0_CONSTANT_CP model. More...

double	SS0_Cp0
	Base heat capacity used in the VCS_SS0_CONSTANT_CP model. More...

double	SS0_Pref
	Value of the pressure for the reference state. More...

int	SSStar_Model
	Integer value representing the star state model. More...

int	SSStar_Vol_Model
	Models for the standard state volume of each species. More...

double	SSStar_Vol0
	parameter that is used in the VCS_SSVOL_CONSTANT model. More...

Detailed Description

Identifies the thermo model for the species. This structure is shared by volumetric and surface species. However, each will have its own types of thermodynamic models. These quantities all have appropriate units.

Definition at line 32 of file vcs_species_thermo.h.

Member Function Documentation

◆ duplMyselfAsVCS_SPECIES_THERMO()

VCS_SPECIES_THERMO * duplMyselfAsVCS_SPECIES_THERMO ( )

virtual

Duplication function for derived classes.

Definition at line 39 of file vcs_species_thermo.cpp.

◆ GStar_R_calc()

double GStar_R_calc	(	size_t	kspec,
		double	TKelvin,
		double	pres
	)

virtual

This function calculates the standard state Gibbs free energy for species, kspec, at the temperature TKelvin and pressure, Pres.

Parameters

kspec	species global index
TKelvin	Temperature in Kelvin
pres	pressure in Pa

Returns: standard state free energy in units of Kelvin.

Deprecated:: Unused. To be removed after Cantera 2.3.

Definition at line 44 of file vcs_species_thermo.cpp.

References VCS_SPECIES_THERMO::G0_R_calc(), Cantera::GasConstant, vcs_VolPhase::GStar_calc_one(), VCS_SPECIES_THERMO::IndexSpeciesPhase, VCS_SPECIES_THERMO::OwningPhase, vcs_VolPhase::setState_TP(), and Cantera::warn_deprecated().

◆ G0_R_calc()

double G0_R_calc	(	size_t	kglob,
		double	TKelvin
	)

virtual

This function calculates the standard state Gibbs free energy for species, kspec, at the temperature TKelvin.

Parameters

kglob	species global index.
TKelvin	Temperature in Kelvin

Returns: standard state free energy in Kelvin.

Deprecated:: Unused. To be removed after Cantera 2.3.

Definition at line 64 of file vcs_species_thermo.cpp.

References VCS_SPECIES_THERMO::SS0_Model, and Cantera::warn_deprecated().

Referenced by VCS_SPECIES_THERMO::GStar_R_calc().

◆ VolStar_calc()

double VolStar_calc	(	size_t	kglob,
		double	TKelvin,
		double	Pres
	)

virtual

This function calculates the standard state molar volume for species, kspec, at the temperature TKelvin and pressure, Pres,.

Returns: standard state volume in m**3 / kmol

Deprecated:: Unused. To be removed after Cantera 2.3.

Definition at line 55 of file vcs_species_thermo.cpp.

References VCS_SPECIES_THERMO::IndexSpeciesPhase, VCS_SPECIES_THERMO::OwningPhase, vcs_VolPhase::setState_TP(), vcs_VolPhase::VolStar_calc_one(), and Cantera::warn_deprecated().

◆ eval_ac()

double eval_ac ( size_t kspec )

virtual

This function evaluates the activity coefficient for species, kspec.

Note, T, P and mole fractions are obtained from the single private instance of VCS_SOLVE

Parameters

kspec index of the species in the global species list within VCS_SOLVE. Phase and local species id can be looked up within object.

Returns: activity coefficient for species kspec

Deprecated:: Unused. To be removed after Cantera 2.3.

Definition at line 82 of file vcs_species_thermo.cpp.

References vcs_VolPhase::AC_calc_one(), VCS_SPECIES_THERMO::IndexSpeciesPhase, VCS_SPECIES_THERMO::OwningPhase, and Cantera::warn_deprecated().

Member Data Documentation

◆ IndexPhase

size_t IndexPhase

Index of the phase that this species belongs to.

Definition at line 39 of file vcs_species_thermo.h.

◆ IndexSpeciesPhase

size_t IndexSpeciesPhase

Index of this species in the current phase.

Definition at line 42 of file vcs_species_thermo.h.

Referenced by VCS_SPECIES_THERMO::eval_ac(), VCS_SPECIES_THERMO::GStar_R_calc(), and VCS_SPECIES_THERMO::VolStar_calc().

◆ OwningPhase

vcs_VolPhase* OwningPhase

Pointer to the owning phase object.

Definition at line 45 of file vcs_species_thermo.h.

Referenced by VCS_SPECIES_THERMO::eval_ac(), VCS_SPECIES_THERMO::GStar_R_calc(), and VCS_SPECIES_THERMO::VolStar_calc().

◆ SS0_Model

int SS0_Model

Integer representing the models for the species standard state Naught temperature dependence.

They are listed above and start with VCS_SS0_...

Definition at line 49 of file vcs_species_thermo.h.

Referenced by VCS_SPECIES_THERMO::G0_R_calc().

◆ SS0_feSave

double SS0_feSave

Internal storage of the last calculation of the reference naught Gibbs free energy at SS0_TSave.

(always in units of Kelvin)

Definition at line 53 of file vcs_species_thermo.h.

◆ SS0_TSave

double SS0_TSave

Internal storage of the last temperature used in the calculation of the reference naught Gibbs free energy.

units = kelvin

Definition at line 57 of file vcs_species_thermo.h.

◆ SS0_T0

double SS0_T0

Base temperature used in the VCS_SS0_CONSTANT_CP model.

Definition at line 60 of file vcs_species_thermo.h.

◆ SS0_H0

double SS0_H0

Base enthalpy used in the VCS_SS0_CONSTANT_CP model.

Definition at line 63 of file vcs_species_thermo.h.

◆ SS0_S0

double SS0_S0

Base entropy used in the VCS_SS0_CONSTANT_CP model.

Definition at line 66 of file vcs_species_thermo.h.

◆ SS0_Cp0

double SS0_Cp0

Base heat capacity used in the VCS_SS0_CONSTANT_CP model.

Definition at line 69 of file vcs_species_thermo.h.

◆ SS0_Pref

double SS0_Pref

Value of the pressure for the reference state.

defaults to 1.01325E5 = 1 atm

Definition at line 73 of file vcs_species_thermo.h.

◆ SSStar_Model

int SSStar_Model

Integer value representing the star state model.

Definition at line 76 of file vcs_species_thermo.h.

◆ SSStar_Vol_Model

int SSStar_Vol_Model

Models for the standard state volume of each species.

Definition at line 79 of file vcs_species_thermo.h.

◆ SSStar_Vol0

double SSStar_Vol0

parameter that is used in the VCS_SSVOL_CONSTANT model.

Definition at line 82 of file vcs_species_thermo.h.

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

Public Member Functions

Public Attributes

Detailed Description

Member Function Documentation

◆ duplMyselfAsVCS_SPECIES_THERMO()

◆ GStar_R_calc()

◆ G0_R_calc()

◆ VolStar_calc()

◆ eval_ac()

Member Data Documentation

◆ IndexPhase

◆ IndexSpeciesPhase

◆ OwningPhase

◆ SS0_Model

◆ SS0_feSave

◆ SS0_TSave

◆ SS0_T0

◆ SS0_H0

◆ SS0_S0

◆ SS0_Cp0

◆ SS0_Pref

◆ SSStar_Model

◆ SSStar_Vol_Model

◆ SSStar_Vol0