Chemkin Class Reference

#include <Chemkin.h>

Inheritance diagram for Chemkin:

Collaboration diagram for Chemkin:

Public Member Functions
	Chemkin ()
	Chemkin (const aString &chemistryFileName, const aString &transportFileName=nullString)
	~Chemkin ()
virtual void	reactionRates (const real &teS, const RealArray &kb, const RealArray &kf)
virtual void	chemicalSource (const real &rhoS, const real &teS, const RealArray &y, const RealArray &sigma, const RealArray &sy=Overture::nullRealArray())
virtual void	chemicalSource (const RealArray &rhoS, const RealArray &teS, const RealArray &y, const RealArray &sigma, const RealArray &sy=Overture::nullRealArray())
virtual real	mw (const int &species) const
virtual real	h (const int species, const real te)
virtual RealArray &	h (const int species, const RealArray &teS, const RealArray &h0)
virtual real	cp (const int species, const real te)
virtual RealArray &	cp (const int species, const RealArray &teS, const RealArray &cp0)
virtual RealArray &	entropy (const RealArray &teS, const RealArray &pS, const RealArray &y, const RealArray &entropy)
virtual RealArray &	h (const RealArray &teS, const RealArray &hi)
virtual RealArray &	cp (const RealArray &teS, const RealArray &cpi)
virtual RealArray &	sigmaFromScaledPTY (const RealArray &pS, const RealArray &teS, const RealArray &y, const RealArray &sigmai)
virtual RealArray &	sigmaFromPTY (const RealArray &pS, const RealArray &teS, const RealArray &y, const RealArray &sigmai)
virtual RealArray &	sigmaFromRPTY (const RealArray &rhoS, const RealArray &pS, const RealArray &teS, const RealArray &y, const RealArray &sigmai)
virtual RealArray &	viscosity (const RealArray &teS, const RealArray &y, const RealArray &eta)
virtual RealArray &	thermalConductivity (const RealArray &teS, const RealArray &y, const RealArray &lambda)
virtual RealArray &	diffusion (const RealArray &pS, const RealArray &teS, const RealArray &y, const RealArray &lambda)
int	initialize (const aString &chemistryFileName, const aString &transportFileName=nullString)
int	rhoY (const RealArray &pS, const RealArray &teS, const RealArray &yS, const RealArray &rhoS)
int	cpBS (const RealArray &teS, const RealArray &y, const RealArray &cp)
int	wYP (const RealArray &pS, const RealArray &teS, const RealArray &y, const RealArray &wDot)
Public Member Functions inherited from Reactions
	Reactions ()
virtual	~Reactions ()
void	useScaledVariables (bool trueOrFalse=TRUE)
bool	usingScaledVariables () const
virtual void	chemistrySource (const RealArray &pS, const RealArray &teS, const RealArray &y, const RealArray &rhoS, const RealArray &source)
RealArray &	massFractionToMoleFraction (const RealArray &y, const RealArray &x)
int	pFromRTY (const RealArray &rho, const RealArray &teS, const RealArray &y, RealArray &pS) const
int	rFromPTY (const RealArray &pS, const RealArray &teS, const RealArray &y, RealArray &rho) const
int	numberOfElements () const
int	numberOfSpecies () const
int	numberOfReactions () const
aString	getName (const int &species) const
int	setScaleForRho (real rho0)
int	setScaleForT (real te0)
int	setScaleForP (real p0, real pStatic)
int	setScaleForL (real l0)
int	setScaleForU (real u0)
virtual void	setScales (real rho0=1., real te0=1., real pStatic=1., real l0=1., real u0=1., real p0=-1.)
real	getScaleForRho () const
real	getScaleForT () const
real	getScaleForP () const
real	getScaleForStaticP () const
real	getScaleForL () const
real	getScaleForU () const
real	getScaleForR () const
void	getScales (real &rho0, real &te0, real &pStatic, real &l0, real &u0, real &p0) const
void	setPressureLevel (const real &pressureLevel)
void	setPressureIsConstant (const bool &trueOrFalse=TRUE)
bool	getPressureIsConstant ()
virtual void	chemistrySourceAndJacobian (const RealArray &pS, const RealArray &teS, const RealArray &y, const RealArray &rhoS, const RealArray &source, const RealArray &sy)
virtual int	solveImplicitForRTYGivenP (RealArray &u, const RealArray &rhs, const int &rc, const int &pc, const int &tc, const int &sc, const Index &I1, const Index &I2, const Index &I3, const real &dt, bool equilibrium=FALSE)
virtual int	solveImplicitForYGivenRTP (RealArray &u, const RealArray &rhs, const int &rc, const int &pc, const int &tc, const int &sc, const Index &I1, const Index &I2, const Index &I3, const real &dt, bool equilibrium=FALSE)
virtual int	solveImplicitForPTYGivenR (RealArray &u, const RealArray &rhs, const int &rc, const int &pc, const int &tc, const int &sc, const Index &I1, const Index &I2, const Index &I3, const real &dt, bool equilibrium=FALSE)
virtual void	computeEigenvaluesOfTheChemicalSourceJacobian (const real rhoS, const RealArray &y, const RealArray &sigma, const RealArray &sy, const RealArray &reLambda, const RealArray &imLambda)
void	computeEigenvaluesOfTheChemicalSourceJacobian (const RealArray &rhoS, const RealArray &teS, const RealArray &y, const RealArray &reLambda, const RealArray &imLambda)
void	checkChemicalSourceJacobian ()

Protected Attributes
intArray	iwork
intArray	imcwrk
RealArray	rwork
RealArray	rmcwrk
char *	cwork
int	numberOfCoefficientsInFit
Protected Attributes inherited from Reactions
int	numberOfSpecies_
int	numberOfElements_
int	numberOfReactions_
RealArray	molecularWeight
real	rho0
real	pStatic
real	p0
real	te0
real	l0
real	u0
real	R0
real	rho0Saved
real	pStaticSaved
real	p0Saved
real	te0Saved
real	l0Saved
real	u0Saved
real	R0Saved
aString *	speciesName
MaterialProperties::material *	speciesNumber
bool	pressureIsConstant
real	pressureLevel
bool	variablesScaled

Additional Inherited Members
Public Types inherited from Reactions
enum	Mechanism { nonEquilibrium, equilibrium, frozen }
Public Attributes inherited from Reactions
enum Reactions::Mechanism	reactionMechanism
MaterialProperties	mp
Static Public Attributes inherited from Reactions
static int	debug =0

Constructor & Destructor Documentation

Chemkin::Chemkin

(

)

References cwork.

Chemkin::Chemkin	(	const aString &	chemistryFileName,
		const aString &	transportFileName = nullString
	)

Chemkin::~Chemkin

(

)

References cwork.

Member Function Documentation

void Chemkin::chemicalSource ( const real &  rhoS, const real &  teS, const RealArray &  y, const RealArray &  sigma, const RealArray &  sy = Overture::nullRealArray()  )

virtual

Implements Reactions.

void Chemkin::chemicalSource ( const RealArray &  rhoS, const RealArray &  teS, const RealArray &  y, const RealArray &  sigma, const RealArray &  sy = Overture::nullRealArray()  )

virtual

Reimplemented from Reactions.

real Chemkin::cp ( const int  species, const real  te  )

virtual

Reimplemented from Reactions.

RealArray & Chemkin::cp ( const int  species, const RealArray &  teS, const RealArray &  cp0  )

virtual

Reimplemented from Reactions.

RealArray & Chemkin::cp ( const RealArray &  teS, const RealArray &  cpi  )

virtual

Reimplemented from Reactions.

int Chemkin::cpBS	(	const RealArray &	teS,
		const RealArray &	y,
		const RealArray &	cp
	)

RealArray & Chemkin::diffusion ( const RealArray &  pS, const RealArray &  teS, const RealArray &  y, const RealArray &  lambda  )

virtual

Reimplemented from Reactions.

RealArray & Chemkin::entropy ( const RealArray &  teS, const RealArray &  pS, const RealArray &  y, const RealArray &  entropy  )

virtual

Reimplemented from Reactions.

real Chemkin::h ( const int  species, const real  te  )

virtual

Reimplemented from Reactions.

RealArray & Chemkin::h ( const int  species, const RealArray &  teS, const RealArray &  h0  )

virtual

Reimplemented from Reactions.

RealArray & Chemkin::h ( const RealArray &  teS, const RealArray &  hi  )

virtual

Reimplemented from Reactions.

int Chemkin::initialize	(	const aString &	chemistryFileName,
		const aString &	transportFileName = nullString
	)

real Chemkin::mw ( const int &  species ) const

virtual

Reimplemented from Reactions.

void Chemkin::reactionRates ( const real &  teS, const RealArray &  kb, const RealArray &  kf  )

virtual

Implements Reactions.

int Chemkin::rhoY	(	const RealArray &	pS,
		const RealArray &	teS,
		const RealArray &	yS,
		const RealArray &	rhoS
	)

RealArray & Chemkin::sigmaFromPTY ( const RealArray &  pS, const RealArray &  teS, const RealArray &  y, const RealArray &  sigmai  )

virtual

Reimplemented from Reactions.

Referenced by sigmaFromRPTY().

RealArray & Chemkin::sigmaFromRPTY ( const RealArray &  rhoS, const RealArray &  pS, const RealArray &  teS, const RealArray &  y, const RealArray &  sigmai  )

virtual

Reimplemented from Reactions.

References sigmaFromPTY().

RealArray & Chemkin::sigmaFromScaledPTY ( const RealArray &  pS, const RealArray &  teS, const RealArray &  y, const RealArray &  sigmai  )

virtual

RealArray & Chemkin::thermalConductivity ( const RealArray &  teS, const RealArray &  y, const RealArray &  lambda  )

virtual

Reimplemented from Reactions.

RealArray & Chemkin::viscosity ( const RealArray &  teS, const RealArray &  y, const RealArray &  eta  )

virtual

Reimplemented from Reactions.

int Chemkin::wYP	(	const RealArray &	pS,
		const RealArray &	teS,
		const RealArray &	y,
		const RealArray &	wDot
	)

Member Data Documentation

char* Chemkin::cwork

protected

Referenced by Chemkin(), and ~Chemkin().

intArray Chemkin::imcwrk

protected

intArray Chemkin::iwork

protected

int Chemkin::numberOfCoefficientsInFit

protected

RealArray Chemkin::rmcwrk

protected

RealArray Chemkin::rwork

protected

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

• Chemkin.h
• ChemkinNull.C