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...

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

virtual 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 void	omega (const scalarField &c, const scalar T, const scalar p, scalarField &dcdt) 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 volScalarField::Internal &	RR (const label i) const
	Return const access to the chemical source terms for specie, i. More...

virtual volScalarField::Internal &	RR (const label i)
	Return non const access to chemical source terms [kg/m3/s]. More...

virtual tmp< volScalarField::Internal >	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 >	Qdot () const
	Return the heat release rate [kg/m/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 =0

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< volScalarField::Internal > &	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< volScalarField::Internal >	RR_
	List of reaction rate per specie [kg/m3/s]. More...

scalarField	c_
	Temporary concentration field. More...

scalarField	dcdt_
	Temporary rate-of-change of concentration field. 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 58 of file chemistryModel.H.

Member Typedef Documentation

◆ thermoType

typedef ThermoType thermoType

protected

Definition at line 79 of file chemistryModel.H.

Constructor & Destructor Documentation

◆ chemistryModel()

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()

~chemistryModel ( )

virtual

Destructor.

Definition at line 90 of file chemistryModel.C.

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

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Member Function Documentation

◆ 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 41 of file chemistryModelI.H.

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

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◆ TypeName()

TypeName ( "chemistryModel< CompType, ThermoType >" )

Runtime type information.

◆ reactions()

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

inline

The reactions.

Definition at line 49 of file chemistryModelI.H.

◆ specieThermo()

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

inline

Thermodynamic data of the species.

Definition at line 57 of file chemistryModelI.H.

◆ nSpecie()

Foam::label nSpecie ( ) const

inlinevirtual

The number of species.

Definition at line 65 of file chemistryModelI.H.

Referenced by DAC< CompType, ThermoType >::DAC(), DRG< CompType, ThermoType >::DRG(), DRGEP< CompType, ThermoType >::DRGEP(), and PFA< CompType, ThermoType >::PFA().

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◆ nReaction()

Foam::label nReaction ( ) const

inlinevirtual

The number of reactions.

Definition at line 73 of file chemistryModelI.H.

◆ Treact() [1/2]

Foam::scalar Treact ( ) const

inline

Temperature below which the reaction rates are assumed 0.

Definition at line 81 of file chemistryModelI.H.

◆ Treact() [2/2]

Foam::scalar & Treact ( )

inline

Temperature below which the reaction rates are assumed 0.

Definition at line 89 of file chemistryModelI.H.

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

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◆ omega() [1/2]

void omega	(	const scalarField &	c,
		const scalar	T,
		const scalar	p,
		scalarField &	dcdt
	)		const

virtual

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

Reimplemented in TDACChemistryModel< CompType, ThermoType >.

Definition at line 98 of file chemistryModel.C.

References forAll, Reaction< ReactionThermo >::lhs(), chemistryModel< CompType, ThermoType >::omegaI(), R, Reaction< ReactionThermo >::rhs(), s(), and Foam::Zero.

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

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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

Reimplemented in TDACChemistryModel< CompType, ThermoType >.

Definition at line 159 of file chemistryModel.C.

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

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

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◆ calculate()

void calculate ( )

virtual

Calculates the reaction rates.

Definition at line 645 of file chemistryModel.C.

References forAll, Foam::constant::mathematical::pi(), rho, thermo, and trho.

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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 98 of file chemistryModelI.H.

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

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◆ 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 108 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 578 of file chemistryModel.C.

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

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

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◆ solve() [1/4]

Foam::scalar solve ( const scalar deltaT )

virtual

Solve the reaction system for the given time step.

and return the characteristic time

Reimplemented in TDACChemistryModel< CompType, ThermoType >.

Definition at line 753 of file chemistryModel.C.

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

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◆ solve() [2/4]

Foam::scalar solve ( const scalarField & deltaT )

virtual

Solve the reaction system for the given time step.

and return the characteristic time

Reimplemented in TDACChemistryModel< CompType, ThermoType >.

Definition at line 768 of file chemistryModel.C.

◆ tc()

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

virtual

Return the chemical time scale.

Definition at line 463 of file chemistryModel.C.

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

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◆ Qdot()

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

virtual

Return the heat release rate [kg/m/s3].

Definition at line 537 of file chemistryModel.C.

References chemistryModel< CompType, ThermoType >::calculateRR(), Foam::dimEnergy, Foam::dimTime, Foam::dimVolume, forAll, Qdot, and tmp< T >::ref().

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◆ nEqns()

Foam::label nEqns ( ) const

inlinevirtual

Number of ODE's to solve.

Implements ODESystem.

Definition at line 32 of file chemistryModelI.H.

◆ derivatives()

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

virtual

Calculate the derivatives in dydx.

Implements ODESystem.

Reimplemented in TDACChemistryModel< CompType, ThermoType >.

Definition at line 271 of file chemistryModel.C.

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

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

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◆ 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.

Reimplemented in TDACChemistryModel< CompType, ThermoType >.

Definition at line 321 of file chemistryModel.C.

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

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

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◆ solve() [3/4]

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

pure virtual

Implemented in TDACChemistryModel< CompType, ThermoType >.

◆ solve() [4/4]

Foam::scalar solve ( const DeltaTType & deltaT )

Definition at line 683 of file chemistryModel.C.

References correct, forAll, Foam::min(), Foam::constant::mathematical::pi(), rho, solve(), thermo, and trho.

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Member Data Documentation

◆ Y_

PtrList<volScalarField>& Y_

protected

Reference to the field of specie mass fractions.

Definition at line 84 of file chemistryModel.H.

◆ reactions_

const PtrList<Reaction<ThermoType> >& reactions_

protected

Reactions.

Definition at line 87 of file chemistryModel.H.

◆ specieThermo_

const PtrList<ThermoType>& specieThermo_

protected

Thermodynamic data of the species.

Definition at line 90 of file chemistryModel.H.

◆ nSpecie_

label nSpecie_

protected

Number of species.

Definition at line 93 of file chemistryModel.H.

◆ nReaction_

label nReaction_

protected

Number of reactions.

Definition at line 96 of file chemistryModel.H.

◆ Treact_

scalar Treact_

protected

Temperature below which the reaction rates are assumed 0.

Definition at line 99 of file chemistryModel.H.

◆ RR_

PtrList<volScalarField::Internal> RR_

protected

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

Definition at line 102 of file chemistryModel.H.

◆ c_

scalarField c_

mutableprotected

Temporary concentration field.

Definition at line 105 of file chemistryModel.H.

◆ dcdt_

scalarField dcdt_

mutableprotected

Temporary rate-of-change of concentration field.

Definition at line 108 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

◆ thermoType

Constructor & Destructor Documentation

◆ chemistryModel()

◆ ~chemistryModel()

Member Function Documentation

◆ 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() [1/4]

◆ solve() [2/4]

◆ tc()

◆ Qdot()

◆ nEqns()

◆ derivatives()

◆ jacobian()

◆ solve() [3/4]

◆ solve() [4/4]

Member Data Documentation

◆ Y_

◆ reactions_

◆ specieThermo_

◆ nSpecie_

◆ nReaction_

◆ Treact_

◆ RR_

◆ c_

◆ dcdt_

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