Extends chemistryModel by adding the TDAC method. More...

Inheritance diagram for TDACChemistryModel< CompType, ThermoType >:

Collaboration diagram for TDACChemistryModel< CompType, ThermoType >:

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

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

virtual	~TDACChemistryModel ()
	Destructor. More...

bool	variableTimeStep () const
	Return true if the time-step is variable and/or non-uniform. More...

label	timeSteps () const
	Return the number of chemistry evaluations (used by ISAT) More...

autoPtr< OFstream >	logFile (const word &name) const
	Create and return a TDAC log file of the given name. More...

PtrList< volScalarField > &	Y ()

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

void	jacobian (const scalar t, const scalarField &c, scalarSquareMatrix &dfdc) const
	Pure jacobian function for tabulation. 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

void	setNsDAC (const label newNsDAC)

void	setNSpecie (const label newNs)

scalarField &	completeC ()

scalarField &	simplifiedC ()

Field< bool > &	reactionsDisabled ()

bool	active (const label i) const

void	setActive (const label i)

DynamicList< label > &	simplifiedToCompleteIndex ()

Field< label > &	completeToSimplifiedIndex ()

const Field< label > &	completeToSimplifiedIndex () const

List< List< specieElement > > &	specieComp ()

autoPtr< chemistryReductionMethod< CompType, ThermoType > > &	mechRed ()

tmp< volScalarField >	tabulationResults () const

void	setTabulationResultsAdd (const label celli)

void	setTabulationResultsGrow (const label celli)

void	setTabulationResultsRetrieve (const label celli)

void	resetTabulationResults ()

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

Public Member Functions inherited from chemistryModel< CompType, ThermoType >
	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 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 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...

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

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

virtual	~ODESystem ()
	Destructor. More...

Additional Inherited Members
Protected Types inherited from chemistryModel< CompType, ThermoType >
typedef ThermoType	thermoType

Protected Member Functions inherited from chemistryModel< CompType, ThermoType >
PtrList< volScalarField::Internal > &	RR ()
	Write access to chemical source terms. More...

Protected Attributes inherited from chemistryModel< CompType, ThermoType >
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::TDACChemistryModel< CompType, ThermoType >

Extends chemistryModel by adding the TDAC method.

References:

    Contino, F., Jeanmart, H., Lucchini, T., & D’Errico, G. (2011).
    Coupling of in situ adaptive tabulation and dynamic adaptive chemistry:
    An effective method for solving combustion in engine simulations.
    Proceedings of the Combustion Institute, 33(2), 3057-3064.

    Contino, F., Lucchini, T., D'Errico, G., Duynslaegher, C.,
    Dias, V., & Jeanmart, H. (2012).
    Simulations of advanced combustion modes using detailed chemistry
    combined with tabulation and mechanism reduction techniques.
    SAE International Journal of Engines,
    5(2012-01-0145), 185-196.

    Contino, F., Foucher, F., Dagaut, P., Lucchini, T., D’Errico, G., &
    Mounaïm-Rousselle, C. (2013).
    Experimental and numerical analysis of nitric oxide effect on the
    ignition of iso-octane in a single cylinder HCCI engine.
    Combustion and Flame, 160(8), 1476-1483.

    Contino, F., Masurier, J. B., Foucher, F., Lucchini, T., D’Errico, G., &
    Dagaut, P. (2014).
    CFD simulations using the TDAC method to model iso-octane combustion
    for a large range of ozone seeding and temperature conditions
    in a single cylinder HCCI engine.
    Fuel, 137, 179-184.

Source files

Definition at line 47 of file chemistryReductionMethod.H.

Constructor & Destructor Documentation

◆ TDACChemistryModel()

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

Construct from mesh.

Definition at line 35 of file TDACChemistryModel.C.

References composition, forAll, mesh, Foam::name(), Foam::New(), basicMultiComponentMixture::setInactive(), basicMultiComponentMixture::species(), thermo, and Y.

Here is the call graph for this function:

◆ ~TDACChemistryModel()

~TDACChemistryModel ( )

virtual

Destructor.

Definition at line 140 of file TDACChemistryModel.C.

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

Here is the call graph for this function:

Member Function Documentation

◆ TypeName()

TypeName ( "TDACChemistryModel< CompType, ThermoType >" )

Runtime type information.

◆ variableTimeStep()

bool variableTimeStep ( ) const

inline

Return true if the time-step is variable and/or non-uniform.

Definition at line 30 of file TDACChemistryModelI.H.

Referenced by chemistryTabulationMethod< CompType, ThermoType >::variableTimeStep(), and chemPointISAT< CompType, ThermoType >::variableTimeStep().

Here is the caller graph for this function:

◆ timeSteps()

Foam::label timeSteps ( ) const

inline

Return the number of chemistry evaluations (used by ISAT)

Definition at line 38 of file TDACChemistryModelI.H.

◆ logFile()

Foam::autoPtr< Foam::OFstream > logFile ( const word & name ) const

inline

Create and return a TDAC log file of the given name.

Definition at line 46 of file TDACChemistryModelI.H.

References mesh, Foam::mkDir(), and path().

Referenced by ISAT< CompType, ThermoType >::ISAT().

Here is the call graph for this function:

Here is the caller graph for this function:

◆ Y()

Foam::PtrList< Foam::volScalarField > & Y ( )

inline

Definition at line 61 of file TDACChemistryModelI.H.

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

Here is the caller graph for this function:

◆ 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 from chemistryModel< CompType, ThermoType >.

Definition at line 148 of file TDACChemistryModel.C.

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

Referenced by TDACChemistryModel< CompType, ThermoType >::~TDACChemistryModel().

Here is the call graph for this function:

Here is the caller graph for this function:

◆ 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 from chemistryModel< CompType, ThermoType >.

Definition at line 202 of file TDACChemistryModel.C.

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

Here is the call graph for this function:

◆ 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 from chemistryModel< CompType, ThermoType >.

Definition at line 882 of file TDACChemistryModel.C.

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

Here is the call graph for this function:

◆ 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 from chemistryModel< CompType, ThermoType >.

Definition at line 897 of file TDACChemistryModel.C.

References TDACChemistryModel< CompType, ThermoType >::setTabulationResultsAdd().

Here is the call graph for this function:

◆ derivatives()

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

virtual

Calculate the derivatives in dydx.

Reimplemented from chemistryModel< CompType, ThermoType >.

Definition at line 311 of file TDACChemistryModel.C.

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

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

Here is the call graph for this function:

Here is the caller graph for this function:

◆ jacobian() [1/2]

void jacobian	(	const scalar	t,
		const scalarField &	c,
		scalarSquareMatrix &	dfdc
	)		const

Pure jacobian function for tabulation.

Definition at line 395 of file TDACChemistryModel.C.

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

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

Here is the call graph for this function:

Here is the caller graph for this function:

◆ jacobian() [2/2]

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

Reimplemented from chemistryModel< CompType, ThermoType >.

Definition at line 579 of file TDACChemistryModel.C.

◆ solve() [3/4]

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

pure virtual

Implements chemistryModel< CompType, ThermoType >.

◆ setNsDAC()

void setNsDAC ( const label newNsDAC )

inline

Definition at line 97 of file TDACChemistryModelI.H.

◆ setNSpecie()

void setNSpecie ( const label newNs )

inline

Definition at line 105 of file TDACChemistryModelI.H.

◆ completeC()

Foam::scalarField & completeC ( )

inline

Definition at line 146 of file TDACChemistryModelI.H.

◆ simplifiedC()

Foam::scalarField & simplifiedC ( )

inline

Definition at line 154 of file TDACChemistryModelI.H.

◆ reactionsDisabled()

Foam::Field< bool > & reactionsDisabled ( )

inline

Definition at line 138 of file TDACChemistryModelI.H.

◆ active()

bool active ( const label i ) const

inline

Definition at line 87 of file TDACChemistryModelI.H.

References thermo.

Referenced by TDACChemistryModel< CompType, ThermoType >::setActive(), and TDACChemistryModel< CompType, ThermoType >::solve().

Here is the caller graph for this function:

◆ setActive()

void setActive ( const label i )

inline

Definition at line 77 of file TDACChemistryModelI.H.

References TDACChemistryModel< CompType, ThermoType >::active(), and thermo.

Referenced by TDACChemistryModel< CompType, ThermoType >::mechRed().

Here is the call graph for this function:

Here is the caller graph for this function:

◆ simplifiedToCompleteIndex()

Foam::DynamicList< Foam::label > & simplifiedToCompleteIndex ( )

inline

Definition at line 113 of file TDACChemistryModelI.H.

Referenced by chemPointISAT< CompType, ThermoType >::chemPointISAT().

Here is the caller graph for this function:

◆ completeToSimplifiedIndex() [1/2]

Foam::Field< Foam::label > & completeToSimplifiedIndex ( )

inline

Definition at line 121 of file TDACChemistryModelI.H.

Referenced by chemPointISAT< CompType, ThermoType >::chemPointISAT().

Here is the caller graph for this function:

◆ completeToSimplifiedIndex() [2/2]

const Foam::Field< Foam::label > & completeToSimplifiedIndex ( ) const

inline

Definition at line 130 of file TDACChemistryModelI.H.

◆ specieComp()

Foam::List< Foam::List< Foam::specieElement > > & specieComp ( )

inline

Definition at line 162 of file TDACChemistryModelI.H.

Referenced by DAC< CompType, ThermoType >::DAC().

Here is the caller graph for this function:

◆ mechRed()

Foam::autoPtr< Foam::chemistryReductionMethod< CompType, ThermoType > > & mechRed ( )

inline

Definition at line 69 of file TDACChemistryModelI.H.

References TDACChemistryModel< CompType, ThermoType >::setActive().

Here is the call graph for this function:

◆ tabulationResults()

tmp<volScalarField> tabulationResults ( ) const

inline

Definition at line 278 of file TDACChemistryModel.H.

References TDACChemistryModel< CompType, ThermoType >::resetTabulationResults(), TDACChemistryModel< CompType, ThermoType >::setTabulationResultsAdd(), TDACChemistryModel< CompType, ThermoType >::setTabulationResultsGrow(), and TDACChemistryModel< CompType, ThermoType >::setTabulationResultsRetrieve().

Here is the call graph for this function:

◆ setTabulationResultsAdd()

void setTabulationResultsAdd ( const label celli )

Definition at line 907 of file TDACChemistryModel.C.

References TDACChemistryModel< CompType, ThermoType >::setTabulationResultsGrow().

Referenced by TDACChemistryModel< CompType, ThermoType >::solve(), and TDACChemistryModel< CompType, ThermoType >::tabulationResults().

Here is the call graph for this function:

Here is the caller graph for this function:

◆ setTabulationResultsGrow()

void setTabulationResultsGrow ( const label celli )

Definition at line 917 of file TDACChemistryModel.C.

References TDACChemistryModel< CompType, ThermoType >::setTabulationResultsRetrieve().

Referenced by TDACChemistryModel< CompType, ThermoType >::setTabulationResultsAdd(), and TDACChemistryModel< CompType, ThermoType >::tabulationResults().

Here is the call graph for this function:

Here is the caller graph for this function:

◆ setTabulationResultsRetrieve()

void setTabulationResultsRetrieve ( const label celli )

Definition at line 928 of file TDACChemistryModel.C.

Referenced by TDACChemistryModel< CompType, ThermoType >::setTabulationResultsGrow(), and TDACChemistryModel< CompType, ThermoType >::tabulationResults().

Here is the caller graph for this function:

◆ resetTabulationResults()

void resetTabulationResults ( )

inline

Definition at line 169 of file TDACChemistryModelI.H.

References forAll.

Referenced by TDACChemistryModel< CompType, ThermoType >::tabulationResults().

Here is the caller graph for this function:

◆ solve() [4/4]

Foam::scalar solve ( const DeltaTType & deltaT )

Definition at line 599 of file TDACChemistryModel.C.

References basicMultiComponentMixture::active(), TDACChemistryModel< CompType, ThermoType >::active(), Foam::constant::universal::c, composition, correct, Foam::endl(), forAll, mesh, Foam::min(), nSpecie, Foam::constant::mathematical::pi(), rho, basicMultiComponentMixture::setActive(), List< T >::size(), solve(), thermo, clockTime::timeIncrement(), timeName, Y, and Foam::Zero.

Here is the call graph for this function:

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

src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/chemistryReductionMethod/chemistryReductionMethod.H
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/TDACChemistryModel.H
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/TDACChemistryModel.C
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/TDACChemistryModelI.H

Public Member Functions

Additional Inherited Members

Detailed Description

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

Constructor & Destructor Documentation

◆ TDACChemistryModel()

◆ ~TDACChemistryModel()

Member Function Documentation

◆ TypeName()

◆ variableTimeStep()

◆ timeSteps()

◆ logFile()

◆ Y()

◆ omega() [1/2]

◆ omega() [2/2]

◆ solve() [1/4]

◆ solve() [2/4]

◆ derivatives()

◆ jacobian() [1/2]

◆ jacobian() [2/2]

◆ solve() [3/4]

◆ setNsDAC()

◆ setNSpecie()

◆ completeC()

◆ simplifiedC()

◆ reactionsDisabled()

◆ active()

◆ setActive()

◆ simplifiedToCompleteIndex()

◆ completeToSimplifiedIndex() [1/2]

◆ completeToSimplifiedIndex() [2/2]

◆ specieComp()

◆ mechRed()

◆ tabulationResults()

◆ setTabulationResultsAdd()

◆ setTabulationResultsGrow()

◆ setTabulationResultsRetrieve()

◆ resetTabulationResults()

◆ solve() [4/4]

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