Reactions Class Reference

#include <Reactions.h>

Inheritance diagram for Reactions:

Collaboration diagram for Reactions:

Public Types
enum	Mechanism { nonEquilibrium, equilibrium, frozen }

Public Member Functions
	Reactions ()
virtual	~Reactions ()
void	useScaledVariables (bool trueOrFalse=TRUE)
bool	usingScaledVariables () const
virtual void	reactionRates (const real &teS, const RealArray &kb, const RealArray &kf)=0
virtual void	chemicalSource (const real &rhoS, const real &teS, const RealArray &y, const RealArray &sigma, const RealArray &sy=Overture::nullRealArray())=0
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 teS)
virtual RealArray &	h (const int species, const RealArray &teS, const RealArray &h0)
virtual real	cp (const int species, const real teS)
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 &	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 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)
virtual RealArray &	viscosity (const RealArray &teS, const RealArray &x, const RealArray &eta)
virtual RealArray &	thermalConductivity (const RealArray &teS, const RealArray &x, const RealArray &lambda)
virtual RealArray &	diffusion (const RealArray &pS, const RealArray &teS, const RealArray &x, const RealArray &lambda)
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 ()

Public Attributes
enum Reactions::Mechanism	reactionMechanism
MaterialProperties	mp

Static Public Attributes
static int	debug =0

Protected Attributes
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

Member Enumeration Documentation

enum Reactions::Mechanism

Enumerator
nonEquilibrium
equilibrium
frozen

Constructor & Destructor Documentation

Reactions::Reactions

(

)

References l0, nonEquilibrium, numberOfElements_, numberOfReactions_, numberOfSpecies_, p0, pressureIsConstant, pressureLevel, pStatic, reactionMechanism, rho0, speciesName, speciesNumber, te0, u0, and variablesScaled.

Reactions::~Reactions ( )

virtual

References speciesName, and speciesNumber.

Member Function Documentation

void Reactions::checkChemicalSourceJacobian

(

)

References all, chemicalSource(), display(), m, numberOfSpecies_, rho, S, sigma, sy, and y.

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

pure virtual

Implemented in OneStepReaction, BranchingReaction, and Chemkin.

Referenced by checkChemicalSourceJacobian(), BranchingReaction::chemicalSource(), OneStepReaction::chemicalSource(), chemicalSource(), computeEigenvaluesOfTheChemicalSourceJacobian(), and solveImplicitForYGivenRTP().

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

virtual

Reimplemented in OneStepReaction, BranchingReaction, and Chemkin.

References chemicalSource(), i1, i2, i3, numberOfSpecies_, s, sigma, sy, and y.

void Reactions::chemistrySource ( const RealArray &  pS, const RealArray &  teS, const RealArray &  y, const RealArray &  rhoS, const RealArray &  source  )

virtual

References cp(), debug, h(), I1, I2, I3, molecularWeight, mp, numberOfSpecies_, p0, pressureIsConstant, MaterialProperties::R, r, rho0, s, sigmaFromRPTY(), sigmai, te0, and y.

Referenced by chemistrySourceAndJacobian().

void Reactions::chemistrySourceAndJacobian ( const RealArray &  pS, const RealArray &  teS, const RealArray &  y, const RealArray &  rhoS, const RealArray &  source, const RealArray &  sy  )

virtual

References chemistrySource(), delta, eps, I1, I2, I3, n, numberOfSpecies_, R, sy, te0, and y.

Referenced by solveImplicitForPTYGivenR(), and solveImplicitForRTYGivenP().

void Reactions::computeEigenvaluesOfTheChemicalSourceJacobian ( const real  rhoS, const RealArray &  y, const RealArray &  sigma, const RealArray &  sy, const RealArray &  reLambda, const RealArray &  imLambda  )

virtual

References a, debug, fx, GECO, GEEV, GESL, n, numberOfSpecies_, rho, rho0, sy, and y.

Referenced by computeEigenvaluesOfTheChemicalSourceJacobian().

void Reactions::computeEigenvaluesOfTheChemicalSourceJacobian	(	const RealArray &	rhoS,
		const RealArray &	teS,
		const RealArray &	y,
		const RealArray &	reLambda,
		const RealArray &	imLambda
	)

References chemicalSource(), computeEigenvaluesOfTheChemicalSourceJacobian(), i1, i2, i3, numberOfSpecies_, s, and y.

real Reactions::cp ( const int  species, const real  teS  )

virtual

Reimplemented in Chemkin.

References MaterialProperties::cp(), mw(), numberOfSpecies_, speciesNumber, and te0.

Referenced by chemistrySource(), and Cgasf::computeSource().

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

virtual

Reimplemented in Chemkin.

References MaterialProperties::cp(), i1, i2, i3, mw(), numberOfSpecies_, speciesNumber, and te0.

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

virtual

Reimplemented in Chemkin.

References MaterialProperties::cp(), i1, i2, i3, mw(), numberOfSpecies_, s, speciesNumber, and te0.

RealArray & Reactions::diffusion ( const RealArray &  pS, const RealArray &  teS, const RealArray &  x, const RealArray &  lambda  )

virtual

Reimplemented in Chemkin.

Referenced by Cgasf::getUt().

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

virtual

Reimplemented in Chemkin.

References i1, i2, i3, MaterialProperties::mw(), numberOfSpecies_, p0, pressureLevel, MaterialProperties::R, s, MaterialProperties::s(), speciesNumber, te0, x, and y.

aString Reactions::getName

(

const int &

species

)

const

Referenced by AsfParameters::setParameters(), and CnsParameters::setParameters().

bool Reactions::getPressureIsConstant

(

)

References pressureIsConstant.

Referenced by Cgasf::getUt().

real Reactions::getScaleForL

(

)

const

References l0.

real Reactions::getScaleForP

(

)

const

References p0.

real Reactions::getScaleForR

(

)

const

References R0.

real Reactions::getScaleForRho

(

)

const

References rho0.

real Reactions::getScaleForStaticP

(

)

const

References pStatic.

real Reactions::getScaleForT

(

)

const

References te0.

real Reactions::getScaleForU

(

)

const

References u0.

void Reactions::getScales	(	real &	rho0,
		real &	te0,
		real &	pStatic,
		real &	l0,
		real &	u0,
		real &	p0
	)		const

References l0, p0, pStatic, rho0, te0, and u0.

real Reactions::h ( const int  species, const real  teS  )

virtual

Reimplemented in Chemkin.

References MaterialProperties::hF(), mw(), numberOfSpecies_, speciesNumber, and te0.

Referenced by chemistrySource(), and Cgasf::computeSource().

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

virtual

Reimplemented in Chemkin.

References MaterialProperties::hF(), i1, i2, i3, mw(), numberOfSpecies_, speciesNumber, and te0.

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

virtual

Reimplemented in Chemkin.

References MaterialProperties::hF(), i1, i2, i3, mw(), numberOfSpecies_, s, speciesNumber, and te0.

RealArray & Reactions::massFractionToMoleFraction	(	const RealArray &	y,
		const RealArray &	x
	)

References mw(), numberOfSpecies_, s, x, and y.

Referenced by Cgasf::getUt().

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

virtual

Reimplemented in Chemkin.

References MaterialProperties::mw().

Referenced by Cgcns::assignTestProblem(), Cgasf::assignTestProblem(), Cgasf::computeSource(), cp(), h(), and massFractionToMoleFraction().

int Reactions::numberOfElements ( ) const

inline

References numberOfElements_.

int Reactions::numberOfReactions ( ) const

inline

References numberOfReactions_.

int Reactions::numberOfSpecies ( ) const

inline

References numberOfSpecies_.

int Reactions::pFromRTY	(	const RealArray &	rho,
		const RealArray &	teS,
		const RealArray &	y,
		RealArray &	pS
	)		const

References I1, I2, I3, MaterialProperties::R, r, s, and y.

Referenced by solveImplicitForPTYGivenR().

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

pure virtual

Implemented in OneStepReaction, BranchingReaction, and Chemkin.

int Reactions::rFromPTY	(	const RealArray &	pS,
		const RealArray &	teS,
		const RealArray &	y,
		RealArray &	rho
	)		const

References I1, I2, I3, MaterialProperties::R, r, s, and y.

void Reactions::setPressureIsConstant

(

const bool &

trueOrFalse = TRUE

)

References pressureIsConstant.

Referenced by Cgcns::assignTestProblem(), and Cgasf::assignTestProblem().

void Reactions::setPressureLevel

(

const real &

pressureLevel

)

References pressureLevel.

Referenced by Cgcns::assignTestProblem(), and Cgasf::assignTestProblem().

int Reactions::setScaleForL

(

real

l0

)

References l0, and l0Saved.

int Reactions::setScaleForP	(	real	p0,
		real	pStatic
	)

References p0, p0Saved, pStatic, pStaticSaved, R0, rho0, and te0.

int Reactions::setScaleForRho

(

real

rho0

)

References pStatic, R0, rho0, rho0Saved, and te0.

int Reactions::setScaleForT

(

real

te0

)

References pStatic, R0, rho0, te0, and te0Saved.

int Reactions::setScaleForU

(

real

u0

)

References u0, and u0Saved.

void Reactions::setScales ( real  rho0 = 1., real  te0 = 1., real  pStatic = 1., real  l0 = 1., real  u0 = 1., real  p0 = -1.  )

virtual

References l0, l0Saved, p0, p0Saved, pStatic, pStaticSaved, R0, R0Saved, rho0, rho0Saved, te0, te0Saved, u0, and u0Saved.

Referenced by Cgcns::assignTestProblem(), and Cgasf::assignTestProblem().

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

virtual

Reimplemented in Chemkin.

Referenced by Cgasf::computeSource().

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

virtual

Reimplemented in Chemkin, OneStepReaction, and BranchingReaction.

Referenced by chemistrySource().

int Reactions::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

References chemistrySourceAndJacobian(), debug, display(), dx, e, f, fx, GECO, GESL, i1, i2, i3, n, numberOfSpecies_, pFromRTY(), R, r, rhs(), s, S, sy, te0, u, and y.

int Reactions::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

References chemistrySourceAndJacobian(), debug, dx, e, f, fx, GECO, GESL, i1, i2, i3, molecularWeight, mp, n, numberOfSpecies_, p0, R, MaterialProperties::R, r, rho0, rhs(), s, S, sy, te0, u, and y.

int Reactions::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

References chemicalSource(), debug, dx, e, f, fx, GECO, GESL, i1, i2, i3, n, numberOfSpecies_, R, r, rho, rho0, rhs(), s, S, sy, u, and y.

RealArray & Reactions::thermalConductivity ( const RealArray &  teS, const RealArray &  x, const RealArray &  lambda  )

virtual

Reimplemented in Chemkin.

Referenced by Cgasf::getUt().

void Reactions::useScaledVariables

(

bool

trueOrFalse = TRUE

)

References l0, l0Saved, p0, p0Saved, pStatic, pStaticSaved, R0, R0Saved, rho0, rho0Saved, te0, te0Saved, u0, u0Saved, and variablesScaled.

bool Reactions::usingScaledVariables ( ) const

inline

References variablesScaled.

RealArray & Reactions::viscosity ( const RealArray &  teS, const RealArray &  x, const RealArray &  eta  )

virtual

Reimplemented in Chemkin.

Referenced by Cgasf::getUt().

Member Data Documentation

int Reactions::debug =0

static

Referenced by chemistrySource(), computeEigenvaluesOfTheChemicalSourceJacobian(), DomainSolver::displayParameters(), DomainSolver::setParametersInteractively(), solveImplicitForPTYGivenR(), solveImplicitForRTYGivenP(), and solveImplicitForYGivenRTP().

real Reactions::l0

protected

Referenced by getScaleForL(), getScales(), Reactions(), setScaleForL(), setScales(), and useScaledVariables().

real Reactions::l0Saved

protected

Referenced by setScaleForL(), setScales(), and useScaledVariables().

RealArray Reactions::molecularWeight

protected

Referenced by chemistrySource(), and solveImplicitForRTYGivenP().

MaterialProperties Reactions::mp

Referenced by Cgcns::assignTestProblem(), Cgasf::assignTestProblem(), chemistrySource(), Cgasf::computeSource(), and solveImplicitForRTYGivenP().

int Reactions::numberOfElements_

protected

Referenced by numberOfElements(), and Reactions().

int Reactions::numberOfReactions_

protected

Referenced by numberOfReactions(), and Reactions().

int Reactions::numberOfSpecies_

protected

Referenced by BranchingReaction::BranchingReaction(), checkChemicalSourceJacobian(), chemicalSource(), chemistrySource(), chemistrySourceAndJacobian(), computeEigenvaluesOfTheChemicalSourceJacobian(), cp(), entropy(), h(), massFractionToMoleFraction(), numberOfSpecies(), OneStepReaction::OneStepReaction(), Reactions(), solveImplicitForPTYGivenR(), solveImplicitForRTYGivenP(), and solveImplicitForYGivenRTP().

real Reactions::p0

protected

Referenced by BranchingReaction::BranchingReaction(), chemistrySource(), entropy(), getScaleForP(), getScales(), OneStepReaction::OneStepReaction(), Reactions(), setScaleForP(), setScales(), solveImplicitForRTYGivenP(), and useScaledVariables().

real Reactions::p0Saved

protected

Referenced by setScaleForP(), setScales(), and useScaledVariables().

bool Reactions::pressureIsConstant

protected

Referenced by chemistrySource(), getPressureIsConstant(), Reactions(), and setPressureIsConstant().

real Reactions::pressureLevel

protected

Referenced by entropy(), Reactions(), and setPressureLevel().

real Reactions::pStatic

protected

Referenced by getScaleForStaticP(), getScales(), Reactions(), setScaleForP(), setScaleForRho(), setScaleForT(), setScales(), and useScaledVariables().

real Reactions::pStaticSaved

protected

Referenced by setScaleForP(), setScales(), and useScaledVariables().

real Reactions::R0

protected

Referenced by getScaleForR(), setScaleForP(), setScaleForRho(), setScaleForT(), setScales(), and useScaledVariables().

real Reactions::R0Saved

protected

Referenced by setScales(), and useScaledVariables().

enum Reactions::Mechanism Reactions::reactionMechanism

Referenced by Reactions().

real Reactions::rho0

protected

Referenced by BranchingReaction::BranchingReaction(), chemistrySource(), computeEigenvaluesOfTheChemicalSourceJacobian(), getScaleForRho(), getScales(), OneStepReaction::OneStepReaction(), Reactions(), setScaleForP(), setScaleForRho(), setScaleForT(), setScales(), solveImplicitForRTYGivenP(), solveImplicitForYGivenRTP(), and useScaledVariables().

real Reactions::rho0Saved

protected

Referenced by setScaleForRho(), setScales(), and useScaledVariables().

aString* Reactions::speciesName

protected

Referenced by BranchingReaction::BranchingReaction(), OneStepReaction::OneStepReaction(), Reactions(), BranchingReaction::~BranchingReaction(), OneStepReaction::~OneStepReaction(), and ~Reactions().

MaterialProperties::material* Reactions::speciesNumber

protected

Referenced by cp(), entropy(), h(), Reactions(), and ~Reactions().

real Reactions::te0

protected

Referenced by BranchingReaction::BranchingReaction(), chemistrySource(), chemistrySourceAndJacobian(), cp(), entropy(), getScaleForT(), getScales(), h(), OneStepReaction::OneStepReaction(), Reactions(), setScaleForP(), setScaleForRho(), setScaleForT(), setScales(), solveImplicitForPTYGivenR(), solveImplicitForRTYGivenP(), and useScaledVariables().

real Reactions::te0Saved

protected

Referenced by setScaleForT(), setScales(), and useScaledVariables().

real Reactions::u0

protected

Referenced by getScaleForU(), getScales(), Reactions(), setScaleForU(), setScales(), and useScaledVariables().

real Reactions::u0Saved

protected

Referenced by setScaleForU(), setScales(), and useScaledVariables().

bool Reactions::variablesScaled

protected

Referenced by Reactions(), useScaledVariables(), and usingScaledVariables().

---

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

• Reactions.h
• src/chemistryPhoneyFiles.C
• chemistry/chemistryPhoneyFiles.C
• Reactions.C
• solveImplicit.C