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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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...

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

typedef ThermoType thermoType

protected

Definition at line 80 of file chemistryModel.H.

Constructor & Destructor Documentation

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

Construct from mesh.

Definition at line 35 of file chemistryModel.C.

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

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~chemistryModel ( )

virtual

Destructor.

Definition at line 88 of file chemistryModel.C.

References chemistryModel< CompType, ThermoType >::omega().

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Member Function Documentation

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.

Referenced by chemistryModel< CompType, ThermoType >::RR(), and chemistryModel< CompType, ThermoType >::Treact().

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TypeName ( "chemistryModel< CompType, ThermoType >" )

Runtime type information.

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

inline

The reactions.

Definition at line 41 of file chemistryModelI.H.

const Foam::PtrList< ThermoType > & specieThermo ( ) const

inline

Thermodynamic data of the species.

Definition at line 49 of file chemistryModelI.H.

Foam::label nSpecie ( ) const

inline

The number of species.

Definition at line 57 of file chemistryModelI.H.

Foam::label nReaction ( ) const

inline

The number of reactions.

Definition at line 65 of file chemistryModelI.H.

Foam::scalar Treact ( ) const

inline

Temperature below which the reaction rates are assumed 0.

Definition at line 73 of file chemistryModelI.H.

Foam::scalar & Treact ( )

inline

Temperature below which the reaction rates are assumed 0.

Definition at line 81 of file chemistryModelI.H.

References chemistryModel< CompType, ThermoType >::RR().

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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 97 of file chemistryModel.C.

References forAll, Reaction< ReactionThermo >::lhs(), chemistryModel< CompType, ThermoType >::omegaI(), R, tmp< T >::ref(), Reaction< ReactionThermo >::rhs(), s(), and scalarField().

Referenced by chemistryModel< CompType, ThermoType >::omegaI(), and chemistryModel< CompType, ThermoType >::~chemistryModel().

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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 161 of file chemistryModel.C.

References Foam::constant::physicoChemical::c2, chemistryModel< CompType, ThermoType >::derivatives(), Foam::exp(), Reaction< ReactionThermo >::kf(), Reaction< ReactionThermo >::kr(), Reaction< ReactionThermo >::lhs(), Foam::max(), Foam::pow(), Reaction< ReactionThermo >::rhs(), and s().

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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 139 of file chemistryModel.C.

References chemistryModel< CompType, ThermoType >::omega(), and R.

Referenced by chemistryModel< CompType, ThermoType >::omega().

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void calculate ( )

virtual

Calculates the reaction rates.

Definition at line 712 of file chemistryModel.C.

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

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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.

References chemistryModel< CompType, ThermoType >::RR().

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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.

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 632 of file chemistryModel.C.

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

Referenced by chemistryModel< CompType, ThermoType >::nEqns().

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Foam::scalar solve ( const scalar deltaT )

virtual

Solve the reaction system for the given time step.

and return the characteristic time

Definition at line 844 of file chemistryModel.C.

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

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Foam::scalar solve ( const scalarField & deltaT )

virtual

Solve the reaction system for the given time step.

and return the characteristic time

Definition at line 859 of file chemistryModel.C.

Foam::tmp< Foam::volScalarField > tc ( ) const

virtual

Return the chemical time scale.

Definition at line 465 of file chemistryModel.C.

References Foam::constant::universal::c, Foam::dimTime, forAll, mesh, Foam::constant::mathematical::pi(), tmp< T >::ref(), rho, Reaction< ReactionThermo >::rhs(), s(), thermo, and timeName.

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Foam::tmp< Foam::volScalarField > Sh ( ) const

virtual

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

Definition at line 551 of file chemistryModel.C.

References Foam::dimEnergy, Foam::dimTime, Foam::dimVolume, forAll, tmp< T >::ref(), and Sh.

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Foam::tmp< Foam::volScalarField > dQ ( ) const

virtual

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

Definition at line 591 of file chemistryModel.C.

References Foam::dimEnergy, Foam::dimTime, dQ, tmp< T >::ref(), GeometricField< Type, PatchField, GeoMesh >::ref(), and Sh.

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Foam::label nEqns ( ) const

virtual

Number of ODE's to solve.

Implements ODESystem.

Definition at line 622 of file chemistryModel.C.

References chemistryModel< CompType, ThermoType >::calculateRR().

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

virtual

Calculate the derivatives in dydx.

Implements ODESystem.

Definition at line 279 of file chemistryModel.C.

References cp, chemistryModel< CompType, ThermoType >::jacobian(), and rho.

Referenced by chemistryModel< CompType, ThermoType >::omega().

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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 324 of file chemistryModel.C.

References Foam::constant::physicoChemical::c2, delta, forAll, Reaction< ReactionThermo >::kf(), Reaction< ReactionThermo >::kr(), Reaction< ReactionThermo >::lhs(), Foam::max(), nSpecie, Foam::pow(), and Reaction< ReactionThermo >::rhs().

Referenced by chemistryModel< CompType, ThermoType >::derivatives().

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

virtual

Definition at line 869 of file chemistryModel.C.

References NotImplemented.

Foam::scalar solve ( const DeltaTType & deltaT )

Definition at line 762 of file chemistryModel.C.

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

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Member Data Documentation

PtrList<volScalarField>& Y_

protected

Reference to the field of specie mass fractions.

Definition at line 85 of file chemistryModel.H.

const PtrList<Reaction<ThermoType> >& reactions_

protected

Reactions.

Definition at line 88 of file chemistryModel.H.

const PtrList<ThermoType>& specieThermo_

protected

Thermodynamic data of the species.

Definition at line 91 of file chemistryModel.H.

label nSpecie_

protected

Number of species.

Definition at line 94 of file chemistryModel.H.

label nReaction_

protected

Number of reactions.

Definition at line 97 of file chemistryModel.H.

scalar Treact_

protected

Temperature below which the reaction rates are assumed 0.

Definition at line 100 of file chemistryModel.H.

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

Detailed Description

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

Member Typedef Documentation

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation

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