Extends base chemistry model by adding a thermo package, and ODE functions. Introduces chemistry equation system and evaluation of chemical source terms. More...

Inheritance diagram for chemistryModel< CompType, ThermoType >:

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Collaboration diagram for chemistryModel< CompType, ThermoType >:

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Public Member Functions
	TypeName ("chemistryModel")
	Runtime type information. More...

	chemistryModel (const fvMesh &mesh, const word &phaseName)
	Construct from mesh. More...

virtual	~chemistryModel ()
	Destructor. More...

const PtrList< Reaction< ThermoType > > &	reactions () const
	The reactions. More...

const PtrList< ThermoType > &	specieThermo () const
	Thermodynamic data of the species. More...

label	nSpecie () const
	The number of species. More...

label	nReaction () const
	The number of reactions. More...

scalar	Treact () const
	Temperature below which the reaction rates are assumed 0. More...

scalar &	Treact ()
	Temperature below which the reaction rates are assumed 0. More...

virtual tmp< scalarField >	omega (const scalarField &c, const scalar T, const scalar p) const
	dc/dt = omega, rate of change in concentration, for each species More...

virtual scalar	omega (const Reaction< ThermoType > &r, const scalarField &c, const scalar T, const scalar p, scalar &pf, scalar &cf, label &lRef, scalar &pr, scalar &cr, label &rRef) const
	Return the reaction rate for reaction r and the reference. More...

virtual scalar	omegaI (label iReaction, const scalarField &c, const scalar T, const scalar p, scalar &pf, scalar &cf, label &lRef, scalar &pr, scalar &cr, label &rRef) const
	Return the reaction rate for iReaction and the reference. More...

virtual void	calculate ()
	Calculates the reaction rates. More...

const DimensionedField< scalar, volMesh > &	RR (const label i) const
	Return const access to the chemical source terms for specie, i. More...

virtual DimensionedField< scalar, volMesh > &	RR (const label i)
	Return non const access to chemical source terms [kg/m3/s]. More...

virtual tmp< DimensionedField< scalar, volMesh > >	calculateRR (const label reactionI, const label speciei) const
	Return reaction rate of the speciei in reactionI. More...

virtual scalar	solve (const scalar deltaT)
	Solve the reaction system for the given time step. More...

virtual scalar	solve (const scalarField &deltaT)
	Solve the reaction system for the given time step. More...

virtual tmp< volScalarField >	tc () const
	Return the chemical time scale. More...

virtual tmp< volScalarField >	Sh () const
	Return source for enthalpy equation [kg/m/s3]. More...

virtual tmp< volScalarField >	dQ () const
	Return the heat release, i.e. enthalpy/sec [kg/m2/s3]. More...

virtual label	nEqns () const
	Number of ODE's to solve. More...

virtual void	derivatives (const scalar t, const scalarField &c, scalarField &dcdt) const
	Calculate the derivatives in dydx. More...

virtual void	jacobian (const scalar t, const scalarField &c, scalarField &dcdt, scalarSquareMatrix &dfdc) const
	Calculate the Jacobian of the system. More...

virtual void	solve (scalarField &c, scalar &T, scalar &p, scalar &deltaT, scalar &subDeltaT) const

template<class DeltaTType >
Foam::scalar	solve (const DeltaTType &deltaT)

Public Member Functions inherited from ODESystem
	ODESystem ()
	Construct null. More...

virtual	~ODESystem ()
	Destructor. More...

Protected Types
typedef ThermoType	thermoType

Protected Member Functions
PtrList< DimensionedField< scalar, volMesh > > &	RR ()
	Write access to chemical source terms. More...

Protected Attributes
PtrList< volScalarField > &	Y_
	Reference to the field of specie mass fractions. More...

const PtrList< Reaction< ThermoType > > &	reactions_
	Reactions. More...

const PtrList< ThermoType > &	specieThermo_
	Thermodynamic data of the species. More...

label	nSpecie_
	Number of species. More...

label	nReaction_
	Number of reactions. More...

scalar	Treact_
	Temperature below which the reaction rates are assumed 0. More...

PtrList< DimensionedField< scalar, volMesh > >	RR_
	List of reaction rate per specie [kg/m3/s]. More...

Private Member Functions
	chemistryModel (const chemistryModel &)
	Disallow copy constructor. More...

void	operator= (const chemistryModel &)
	Disallow default bitwise assignment. More...

template<class DeltaTType >
scalar	solve (const DeltaTType &deltaT)
	Solve the reaction system for the given time step. More...

Detailed Description

template<class CompType, class ThermoType>
class Foam::chemistryModel< CompType, ThermoType >

Extends base chemistry model by adding a thermo package, and ODE functions. Introduces chemistry equation system and evaluation of chemical source terms.

Source files

Definition at line 59 of file chemistryModel.H.

Member Typedef Documentation

◆ thermoType

typedef ThermoType thermoType

protected

Definition at line 80 of file chemistryModel.H.

Constructor & Destructor Documentation

◆ chemistryModel() [1/2]

chemistryModel ( const chemistryModel< CompType, ThermoType > & )

private

Disallow copy constructor.

◆ chemistryModel() [2/2]

chemistryModel	(	const fvMesh &	mesh,
		const word &	phaseName
	)

Construct from mesh.

Definition at line 34 of file chemistryModel.C.

References Foam::dimMass, Foam::dimTime, Foam::dimVolume, Foam::endl(), forAll, Foam::Info, mesh, and Foam::name().

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◆ ~chemistryModel()

~chemistryModel

virtual

Destructor.

Definition at line 87 of file chemistryModel.C.

Member Function Documentation

◆ operator=()

void operator= ( const chemistryModel< CompType, ThermoType > & )

private

Disallow default bitwise assignment.

◆ solve() [1/5]

scalar solve ( const DeltaTType & deltaT )

private

Solve the reaction system for the given time step.

of given type and return the characteristic time

◆ RR() [1/3]

Foam::PtrList< Foam::DimensionedField< Foam::scalar, Foam::volMesh > > & RR

inlineprotected

Write access to chemical source terms.

(e.g. for multi-chemistry model)

Definition at line 33 of file chemistryModelI.H.

◆ TypeName()

TypeName ( "chemistryModel< CompType, ThermoType >" )

Runtime type information.

◆ reactions()

const Foam::PtrList< Foam::Reaction< ThermoType > > & reactions

inline

The reactions.

Definition at line 41 of file chemistryModelI.H.

◆ specieThermo()

const Foam::PtrList< ThermoType > & specieThermo

inline

Thermodynamic data of the species.

Definition at line 49 of file chemistryModelI.H.

◆ nSpecie()

Foam::label nSpecie

inline

The number of species.

Definition at line 57 of file chemistryModelI.H.

◆ nReaction()

Foam::label nReaction

inline

The number of reactions.

Definition at line 65 of file chemistryModelI.H.

◆ Treact() [1/2]

Foam::scalar & Treact

inline

Temperature below which the reaction rates are assumed 0.

Definition at line 73 of file chemistryModelI.H.

◆ Treact() [2/2]

scalar& Treact ( )

inline

Temperature below which the reaction rates are assumed 0.

◆ omega() [1/2]

Foam::tmp< Foam::scalarField > omega	(	const scalarField &	c,
		const scalar	T,
		const scalar	p
	)		const

virtual

dc/dt = omega, rate of change in concentration, for each species

Definition at line 96 of file chemistryModel.C.

References Foam::constant::universal::c, forAll, p, R, s(), scalarField(), and T.

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◆ omega() [2/2]

Foam::scalar omega	(	const Reaction< ThermoType > &	r,
		const scalarField &	c,
		const scalar	T,
		const scalar	p,
		scalar &	pf,
		scalar &	cf,
		label &	lRef,
		scalar &	pr,
		scalar &	cr,
		label &	rRef
	)		const

virtual

Return the reaction rate for reaction r and the reference.

species and charateristic times

Definition at line 160 of file chemistryModel.C.

References Foam::constant::universal::c, Foam::constant::physicoChemical::c2, Foam::exp(), Foam::max(), p, Foam::pow(), R, s(), and T.

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◆ omegaI()

Foam::scalar omegaI	(	label	iReaction,
		const scalarField &	c,
		const scalar	T,
		const scalar	p,
		scalar &	pf,
		scalar &	cf,
		label &	lRef,
		scalar &	pr,
		scalar &	cr,
		label &	rRef
	)		const

virtual

Return the reaction rate for iReaction and the reference.

species and charateristic times

Definition at line 138 of file chemistryModel.C.

References Foam::constant::universal::c, p, R, T, and w().

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◆ calculate()

void calculate

virtual

Calculates the reaction rates.

Definition at line 714 of file chemistryModel.C.

References Foam::constant::universal::c, forAll, mesh, p, Foam::constant::mathematical::pi(), rho, T, thermo, and timeName.

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◆ RR() [2/3]

const Foam::DimensionedField< Foam::scalar, Foam::volMesh > & RR ( const label i ) const

inline

Return const access to the chemical source terms for specie, i.

Definition at line 90 of file chemistryModelI.H.

◆ RR() [3/3]

Foam::DimensionedField< Foam::scalar, Foam::volMesh > & RR ( const label i )

virtual

Return non const access to chemical source terms [kg/m3/s].

Definition at line 100 of file chemistryModelI.H.

◆ calculateRR()

Foam::tmp< Foam::DimensionedField< Foam::scalar, Foam::volMesh > > calculateRR	(	const label	reactionI,
		const label	speciei
	)		const

virtual

Return reaction rate of the speciei in reactionI.

Definition at line 634 of file chemistryModel.C.

References Foam::constant::universal::c, Foam::dimMass, Foam::dimTime, Foam::dimVolume, forAll, mesh, p, Foam::constant::mathematical::pi(), rho, Foam::constant::thermodynamic::RR, T, thermo, timeName, and w().

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◆ solve() [2/5]

Foam::scalar solve ( const scalar deltaT )

virtual

Solve the reaction system for the given time step.

and return the characteristic time

Definition at line 846 of file chemistryModel.C.

References Foam::min(), and solve().

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◆ solve() [3/5]

Foam::scalar solve ( const scalarField & deltaT )

virtual

Solve the reaction system for the given time step.

and return the characteristic time

Definition at line 861 of file chemistryModel.C.

◆ tc()

Foam::tmp< Foam::volScalarField > tc

virtual

Return the chemical time scale.

Definition at line 464 of file chemistryModel.C.

References Foam::constant::universal::c, Foam::dimTime, forAll, mesh, p, Foam::constant::mathematical::pi(), R, rho, s(), T, thermo, and timeName.

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◆ Sh()

Foam::tmp< Foam::volScalarField > Sh

virtual

Return source for enthalpy equation [kg/m/s3].

Definition at line 550 of file chemistryModel.C.

References Foam::dimEnergy, Foam::dimTime, Foam::dimVolume, forAll, and Sh.

◆ dQ()

Foam::tmp< Foam::volScalarField > dQ

virtual

Return the heat release, i.e. enthalpy/sec [kg/m2/s3].

Definition at line 592 of file chemistryModel.C.

References Foam::dimEnergy, Foam::dimTime, dQ, and Sh.

◆ nEqns()

Foam::label nEqns

virtual

Number of ODE's to solve.

Implements ODESystem.

Definition at line 624 of file chemistryModel.C.

◆ derivatives()

void derivatives	(	const scalar	x,
		const scalarField &	y,
		scalarField &	dydx
	)		const

virtual

Calculate the derivatives in dydx.

Implements ODESystem.

Definition at line 278 of file chemistryModel.C.

References Foam::constant::universal::c, cp, p, rho, and T.

◆ jacobian()

void jacobian	(	const scalar	x,
		const scalarField &	y,
		scalarField &	dfdx,
		scalarSquareMatrix &	dfdy
	)		const

virtual

Calculate the Jacobian of the system.

Need by the stiff-system solvers

Implements ODESystem.

Definition at line 323 of file chemistryModel.C.

References Foam::constant::universal::c, Foam::constant::physicoChemical::c2, delta, forAll, Foam::max(), nSpecie, p, Foam::pow(), R, and T.

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◆ solve() [4/5]

void solve	(	scalarField &	c,
		scalar &	T,
		scalar &	p,
		scalar &	deltaT,
		scalar &	subDeltaT
	)		const

virtual

Definition at line 871 of file chemistryModel.C.

References NotImplemented.

◆ solve() [5/5]

Foam::scalar solve ( const DeltaTType & deltaT )

Definition at line 764 of file chemistryModel.C.

References Foam::constant::universal::c, correct(), forAll, mesh, Foam::min(), p, Foam::constant::mathematical::pi(), rho, solve(), T, thermo, and timeName.

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Field Documentation

◆ Y_

PtrList<volScalarField>& Y_

protected

Reference to the field of specie mass fractions.

Definition at line 85 of file chemistryModel.H.

◆ reactions_

const PtrList<Reaction<ThermoType> >& reactions_

protected

Reactions.

Definition at line 88 of file chemistryModel.H.

◆ specieThermo_

const PtrList<ThermoType>& specieThermo_

protected

Thermodynamic data of the species.

Definition at line 91 of file chemistryModel.H.

◆ nSpecie_

label nSpecie_

protected

Number of species.

Definition at line 94 of file chemistryModel.H.

◆ nReaction_

label nReaction_

protected

Number of reactions.

Definition at line 97 of file chemistryModel.H.

◆ Treact_

scalar Treact_

protected

Temperature below which the reaction rates are assumed 0.

Definition at line 100 of file chemistryModel.H.

◆ RR_

PtrList<DimensionedField<scalar, volMesh> > RR_

protected

List of reaction rate per specie [kg/m3/s].

Definition at line 103 of file chemistryModel.H.

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

src/thermophysicalModels/chemistryModel/chemistryModel/chemistryModel/chemistryModel.H
src/thermophysicalModels/chemistryModel/chemistryModel/chemistryModel/chemistryModel.C
src/thermophysicalModels/chemistryModel/chemistryModel/chemistryModel/chemistryModelI.H

Public Member Functions

Protected Types

Protected Member Functions

Protected Attributes

Private Member Functions

Detailed Description

template<class CompType, class ThermoType> class Foam::chemistryModel< CompType, ThermoType >

Member Typedef Documentation

◆ thermoType

Constructor & Destructor Documentation

◆ chemistryModel() [1/2]

◆ chemistryModel() [2/2]

◆ ~chemistryModel()

Member Function Documentation

◆ operator=()

◆ solve() [1/5]

◆ RR() [1/3]

◆ TypeName()

◆ reactions()

◆ specieThermo()

◆ nSpecie()

◆ nReaction()

◆ Treact() [1/2]

◆ Treact() [2/2]

◆ omega() [1/2]

◆ omega() [2/2]

◆ omegaI()

◆ calculate()

◆ RR() [2/3]

◆ RR() [3/3]

◆ calculateRR()

◆ solve() [2/5]

◆ solve() [3/5]

◆ tc()

◆ Sh()

◆ dQ()

◆ nEqns()

◆ derivatives()

◆ jacobian()

◆ solve() [4/5]

◆ solve() [5/5]

Field Documentation

◆ Y_

◆ reactions_

◆ specieThermo_

◆ nSpecie_

◆ nReaction_

◆ Treact_

◆ RR_

template<class CompType, class ThermoType>
class Foam::chemistryModel< CompType, ThermoType >