CanteraGas Class Reference

A set of Cantera objects needed for calculating thermodynamic properties, transport properties, and kinetic rates for a constant-pressure mixture. More...

#include <chemistry0d.h>

Public Member Functions
	CanteraGas ()
void	setOptions (const ConfigOptions &options)
void	initialize ()
bool	initialized () const
void	setStateMass (const dvec &Y, const double T)
void	setStateMass (const double *Y, const double T)
void	setStateMole (const dvec &X, const double T)
void	setStateMole (const double *X, const double T)
void	getMoleFractions (dvec &X) const
void	getMoleFractions (double *X) const
void	getMassFractions (dvec &Y) const
void	getMassFractions (double *Y) const
double	getDensity () const
double	getMixtureMolecularWeight () const
void	getMolecularWeights (dvec &W) const
void	getMolecularWeights (double *W) const
double	getViscosity () const
double	getThermalConductivity () const
void	getDiffusionCoefficientsMole (dvec &Dkm) const
	Get diffusion coefficients for calculating mass diffusion velocities with respect to mole fraction gradients.
void	getDiffusionCoefficientsMole (double *Dkm) const
void	getWeightedDiffusionCoefficientsMole (dvec &rhoD) const
	Get product of density and diffusion coefficients for calculating diffusive mass fluxes with respect to mole fraction gradients.
void	getWeightedDiffusionCoefficientsMole (double *rhoD) const
void	getWeightedDiffusionCoefficientsMass (double *rhoD)
	Get product of density and diffusion coefficients for calculating diffusive mass fluxes with respect to mass fraction gradients.
void	getWeightedDiffusionCoefficientsMass (dvec &rhoD)
void	getThermalDiffusionCoefficients (dvec &Dkt) const
	Get thermal diffusion coefficients.
void	getThermalDiffusionCoefficients (double *Dkt) const
double	getSpecificHeatCapacity () const
void	getSpecificHeatCapacities (dvec &cpSpec) const
void	getSpecificHeatCapacities (double *cpSpec) const
void	getEnthalpies (dvec &hk) const
void	getEnthalpies (double *hk) const
void	setRateMultiplier (double m)
	Multiply the rate constant for all reactions by m.
void	getReactionRates (dvec &wDot) const
	Get net molar reaction rates for each species.
void	getReactionRates (double *wDot) const
void	getCreationRates (dvec &wDot) const
void	getCreationRates (double *wDot) const
void	getDestructionRates (dvec &wDot) const
void	getDestructionRates (double *wDot) const

Public Attributes
double	pressure
	thermodynamic pressure [Pa]
size_t	nSpec
	number of species
std::shared_ptr< Cantera::ThermoPhase >	thermo

Private Attributes
std::shared_ptr< Cantera::Solution >	soln
std::string	mechanismFile
std::string	phaseID
std::string	transportModel
std::string	kineticsModel
double	transportThreshold
std::shared_ptr< Cantera::Kinetics >	kinetics
std::shared_ptr< Cantera::Transport >	transport
bool	isInitialized
dmatrix	Dbin
	binary diffusion coefficients for species k
double	lastRateMultiplier
	Value of the rate multiplier the last time it was set.

Detailed Description

A set of Cantera objects needed for calculating thermodynamic properties, transport properties, and kinetic rates for a constant-pressure mixture.

Constructor & Destructor Documentation

CanteraGas()

CanteraGas::CanteraGas

(

)

Member Function Documentation

setOptions()

void CanteraGas::setOptions

(

const ConfigOptions &

options

)

initialize()

void CanteraGas::initialize

(

)

initialized()

bool CanteraGas::initialized ( ) const

inline

setStateMass() [1/2]

void CanteraGas::setStateMass	(	const dvec &	Y,
		const double	T
	)

setStateMass() [2/2]

void CanteraGas::setStateMass	(	const double *	Y,
		const double	T
	)

setStateMole() [1/2]

void CanteraGas::setStateMole	(	const dvec &	X,
		const double	T
	)

setStateMole() [2/2]

void CanteraGas::setStateMole	(	const double *	X,
		const double	T
	)

getMoleFractions() [1/2]

void CanteraGas::getMoleFractions

(

dvec &

X

)

const

getMoleFractions() [2/2]

void CanteraGas::getMoleFractions

(

double *

X

)

const

getMassFractions() [1/2]

void CanteraGas::getMassFractions

(

dvec &

Y

)

const

getMassFractions() [2/2]

void CanteraGas::getMassFractions

(

double *

Y

)

const

getDensity()

double CanteraGas::getDensity

(

)

const

getMixtureMolecularWeight()

double CanteraGas::getMixtureMolecularWeight

(

)

const

getMolecularWeights() [1/2]

void CanteraGas::getMolecularWeights

(

dvec &

W

)

const

getMolecularWeights() [2/2]

void CanteraGas::getMolecularWeights

(

double *

W

)

const

getViscosity()

double CanteraGas::getViscosity

(

)

const

getThermalConductivity()

double CanteraGas::getThermalConductivity

(

)

const

getDiffusionCoefficientsMole() [1/2]

void CanteraGas::getDiffusionCoefficientsMole

(

dvec &

Dkm

)

const

Get diffusion coefficients for calculating mass diffusion velocities with respect to mole fraction gradients.

v[k] = -D[k] / X[k] * grad(X[k])

getDiffusionCoefficientsMole() [2/2]

void CanteraGas::getDiffusionCoefficientsMole

(

double *

Dkm

)

const

getWeightedDiffusionCoefficientsMole() [1/2]

void CanteraGas::getWeightedDiffusionCoefficientsMole

(

dvec &

rhoD

)

const

Get product of density and diffusion coefficients for calculating diffusive mass fluxes with respect to mole fraction gradients.

j[k] = - rhoD[k] / X[k] * grad(X[k])

getWeightedDiffusionCoefficientsMole() [2/2]

void CanteraGas::getWeightedDiffusionCoefficientsMole

(

double *

rhoD

)

const

getWeightedDiffusionCoefficientsMass() [1/2]

void CanteraGas::getWeightedDiffusionCoefficientsMass

(

double *

rhoD

)

Get product of density and diffusion coefficients for calculating diffusive mass fluxes with respect to mass fraction gradients.

j[k] = - rho * D[k] * grad(Y[k])

getWeightedDiffusionCoefficientsMass() [2/2]

void CanteraGas::getWeightedDiffusionCoefficientsMass

(

dvec &

rhoD

)

getThermalDiffusionCoefficients() [1/2]

void CanteraGas::getThermalDiffusionCoefficients

(

dvec &

Dkt

)

const

Get thermal diffusion coefficients.

j[k] = - Dt[k] / (T * Y[k]) * grad(T)

getThermalDiffusionCoefficients() [2/2]

void CanteraGas::getThermalDiffusionCoefficients

(

double *

Dkt

)

const

getSpecificHeatCapacity()

double CanteraGas::getSpecificHeatCapacity

(

)

const

getSpecificHeatCapacities() [1/2]

void CanteraGas::getSpecificHeatCapacities

(

dvec &

cpSpec

)

const

getSpecificHeatCapacities() [2/2]

void CanteraGas::getSpecificHeatCapacities

(

double *

cpSpec

)

const

getEnthalpies() [1/2]

void CanteraGas::getEnthalpies

(

dvec &

hk

)

const

getEnthalpies() [2/2]

void CanteraGas::getEnthalpies

(

double *

hk

)

const

setRateMultiplier()

void CanteraGas::setRateMultiplier

(

double

m

)

Multiply the rate constant for all reactions by m.

getReactionRates() [1/2]

void CanteraGas::getReactionRates

(

dvec &

wDot

)

const

Get net molar reaction rates for each species.

getReactionRates() [2/2]

void CanteraGas::getReactionRates

(

double *

wDot

)

const

getCreationRates() [1/2]

void CanteraGas::getCreationRates

(

dvec &

wDot

)

const

getCreationRates() [2/2]

void CanteraGas::getCreationRates

(

double *

wDot

)

const

getDestructionRates() [1/2]

void CanteraGas::getDestructionRates

(

dvec &

wDot

)

const

getDestructionRates() [2/2]

void CanteraGas::getDestructionRates

(

double *

wDot

)

const

Member Data Documentation

pressure

double CanteraGas::pressure

thermodynamic pressure [Pa]

nSpec

size_t CanteraGas::nSpec

number of species

thermo

std::shared_ptr<Cantera::ThermoPhase> CanteraGas::thermo

soln

std::shared_ptr<Cantera::Solution> CanteraGas::soln

private

mechanismFile

std::string CanteraGas::mechanismFile

private

phaseID

std::string CanteraGas::phaseID

private

transportModel

std::string CanteraGas::transportModel

private

kineticsModel

std::string CanteraGas::kineticsModel

private

transportThreshold

double CanteraGas::transportThreshold

private

kinetics

std::shared_ptr<Cantera::Kinetics> CanteraGas::kinetics

private

transport

std::shared_ptr<Cantera::Transport> CanteraGas::transport

private

isInitialized

bool CanteraGas::isInitialized

private

Dbin

dmatrix CanteraGas::Dbin

private

binary diffusion coefficients for species k

lastRateMultiplier

double CanteraGas::lastRateMultiplier

private

Value of the rate multiplier the last time it was set.

---

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

• src/chemistry0d.h
• src/chemistry0d.cpp