Simple extension of ReactionThermo to handle reaction kinetics in addition to the equilibrium thermodynamics already handled. More...

Inheritance diagram for Reaction< ReactionThermo >:

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Collaboration diagram for Reaction< ReactionThermo >:

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

	declareRunTimeSelectionTable (autoPtr, Reaction, dictionary,(const speciesTable &species, const HashPtrTable< ReactionThermo > &thermoDatabase, const dictionary &dict),(species, thermoDatabase, dict))

	declareRunTimeSelectionTable (autoPtr, Reaction, objectRegistry,(const speciesTable &species, const HashPtrTable< ReactionThermo > &thermoDatabase, const objectRegistry &ob, const dictionary &dict),(species, thermoDatabase, ob, dict))

	Reaction (const speciesTable &species, const List< specieCoeffs > &lhs, const List< specieCoeffs > &rhs, const HashPtrTable< ReactionThermo > &thermoDatabase)
	Construct from components. More...

	Reaction (const Reaction< ReactionThermo > &, const speciesTable &species)
	Construct as copy given new speciesTable. More...

	Reaction (const speciesTable &species, const HashPtrTable< ReactionThermo > &thermoDatabase, const dictionary &dict)
	Construct from dictionary. More...

virtual autoPtr< Reaction< ReactionThermo > >	clone () const =0
	Construct and return a clone. More...

virtual autoPtr< Reaction< ReactionThermo > >	clone (const speciesTable &species) const =0
	Construct and return a clone with new speciesTable. More...

virtual	~Reaction ()
	Destructor. More...

scalar	Tlow () const
	Return the lower temperature limit for the reaction. More...

scalar	Thigh () const
	Return the upper temperature limit for the reaction. More...

virtual void	preEvaluate () const =0
	Pre-evaluation hook. More...

virtual void	postEvaluate () const =0
	Post-evaluation hook. More...

void	C (const scalar p, const scalar T, const scalarField &c, const label li, scalar &Cf, scalar &Cr) const
	Concentration powers. More...

scalar	omega (const scalar p, const scalar T, const scalarField &c, const label li, scalar &omegaf, scalar &omegar) const
	Net reaction rate. More...

void	dNdtByV (const scalar p, const scalar T, const scalarField &c, const label li, scalarField &dNdtByV, const bool reduced, const List< label > &c2s, const label Nsi0) const
	The net reaction rate for each species involved. More...

virtual scalar	kf (const scalar p, const scalar T, const scalarField &c, const label li) const =0
	Forward rate constant. More...

virtual scalar	kr (const scalar kf, const scalar p, const scalar T, const scalarField &c, const label li) const =0
	Reverse rate constant from the given forward rate constant. More...

virtual scalar	kr (const scalar p, const scalar T, const scalarField &c, const label li) const =0
	Reverse rate constant. More...

virtual scalar	dkfdT (const scalar p, const scalar T, const scalarField &c, const label li) const =0
	Temperature derivative of forward rate. More...

virtual scalar	dkrdT (const scalar p, const scalar T, const scalarField &c, const label li, const scalar dkfdT, const scalar kr) const =0
	Temperature derivative of reverse rate. More...

virtual bool	hasDkdc () const =0
	Does this reaction have concentration-dependent rate constants? More...

virtual void	dkfdc (const scalar p, const scalar T, const scalarField &c, const label li, scalarField &dkfdc) const =0
	Concentration derivative of forward rate. More...

virtual void	dkrdc (const scalar p, const scalar T, const scalarField &c, const label li, const scalarField &dkfdc, const scalar kr, scalarField &dkrdc) const =0
	Concentration derivative of reverse rate. More...

void	ddNdtByVdcTp (const scalar p, const scalar T, const scalarField &c, const label li, scalarField &dNdtByV, scalarSquareMatrix &ddNdtByVdcTp, const bool reduced, const List< label > &c2s, const label csi0, const label Tsi, scalarField &cTpWork0, scalarField &cTpWork1) const
	Derivative of the net reaction rate for each species involved. More...

virtual void	write (Ostream &) const
	Write. More...

void	operator= (const Reaction< ReactionThermo > &)=delete
	Disallow default bitwise assignment. More...

Public Member Functions inherited from reaction
	reaction (const speciesTable &species, const List< specieCoeffs > &lhs, const List< specieCoeffs > &rhs)
	Construct from components. More...

	reaction (const reaction &, const speciesTable &species)
	Construct as copy given new speciesTable. More...

	reaction (const speciesTable &species, const dictionary &dict)
	Construct from dictionary. More...

	~reaction ()
	Destructor. More...

const word &	name () const
	Return the name of the reaction. More...

const List< specieCoeffs > &	lhs () const
	Return the components of the left hand side. More...

const List< specieCoeffs > &	rhs () const
	Return the components of the right hand side. More...

const speciesTable &	species () const
	Return the specie list. More...

void	write (Ostream &) const
	Write. More...

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

Static Public Member Functions
static autoPtr< Reaction< ReactionThermo > >	New (const speciesTable &species, const HashPtrTable< ReactionThermo > &thermoDatabase, const dictionary &dict)
	Return a pointer to new patchField created on freestore. More...

static autoPtr< Reaction< ReactionThermo > >	New (const speciesTable &species, const HashPtrTable< ReactionThermo > &thermoDatabase, const objectRegistry &ob, const dictionary &dict)
	Return a pointer to new patchField created on freestore. More...

static autoPtr< Reaction< ReactionThermo > >	New (const speciesTable &species, const PtrList< ReactionThermo > &speciesThermo, const dictionary &dict)
	Return a pointer to new patchField created on freestore from dict. More...

Static Public Attributes
static scalar	TlowDefault
	Default temperature limits of applicability of reaction rates. More...

static scalar	ThighDefault

Static Public Attributes inherited from reaction
static label	nUnNamedReactions
	Number of un-named reactions. More...

Friends
Ostream &	operator (Ostream &, const Reaction< ReactionThermo > &)

Detailed Description

template<class ReactionThermo>
class Foam::Reaction< ReactionThermo >

Simple extension of ReactionThermo to handle reaction kinetics in addition to the equilibrium thermodynamics already handled.

Source files

Definition at line 55 of file Reaction.H.

Constructor & Destructor Documentation

◆ Reaction() [1/3]

Reaction	(	const speciesTable &	species,
		const List< specieCoeffs > &	lhs,
		const List< specieCoeffs > &	rhs,
		const HashPtrTable< ReactionThermo > &	thermoDatabase
	)

Construct from components.

Definition at line 95 of file Reaction.C.

Referenced by Reaction< ReactionThermo >::Reaction().

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◆ Reaction() [2/3]

Reaction	(	const Reaction< ReactionThermo > &	r,
		const speciesTable &	species
	)

Construct as copy given new speciesTable.

Definition at line 113 of file Reaction.C.

References Reaction< ReactionThermo >::Reaction().

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◆ Reaction() [3/3]

Reaction	(	const speciesTable &	species,
		const HashPtrTable< ReactionThermo > &	thermoDatabase,
		const dictionary &	dict
	)

Construct from dictionary.

Definition at line 127 of file Reaction.C.

References Reaction< ReactionThermo >::New().

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◆ ~Reaction()

virtual ~Reaction ( )

inlinevirtual

Destructor.

Definition at line 197 of file Reaction.H.

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Member Function Documentation

◆ TypeName()

TypeName ( "Reaction< ReactionThermo >" )

Runtime type information.

◆ declareRunTimeSelectionTable() [1/2]

declareRunTimeSelectionTable	(	autoPtr	,
		Reaction< ReactionThermo >	,
		dictionary	,
		(const speciesTable &species, const HashPtrTable< ReactionThermo > &thermoDatabase, const dictionary &dict)	,
		(species, thermoDatabase, dict)
	)

◆ declareRunTimeSelectionTable() [2/2]

declareRunTimeSelectionTable	(	autoPtr	,
		Reaction< ReactionThermo >	,
		objectRegistry	,
		(const speciesTable &species, const HashPtrTable< ReactionThermo > &thermoDatabase, const objectRegistry &ob, const dictionary &dict)	,
		(species, thermoDatabase, ob, dict)
	)

◆ clone() [1/2]

virtual autoPtr<Reaction<ReactionThermo> > clone ( ) const

pure virtual

Construct and return a clone.

Implemented in NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >, ReversibleReaction< ReactionThermo, ReactionRate >, IrreversibleReaction< ReactionThermo, ReactionRate >, and ReactionProxy< ReactionThermo >.

◆ clone() [2/2]

virtual autoPtr<Reaction<ReactionThermo> > clone ( const speciesTable & species ) const

pure virtual

Construct and return a clone with new speciesTable.

Implemented in NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >, ReversibleReaction< ReactionThermo, ReactionRate >, IrreversibleReaction< ReactionThermo, ReactionRate >, and ReactionProxy< ReactionThermo >.

◆ New() [1/3]

Foam::autoPtr< Foam::Reaction< ReactionThermo > > New	(	const speciesTable &	species,
		const HashPtrTable< ReactionThermo > &	thermoDatabase,
		const dictionary &	dict
	)

static

Return a pointer to new patchField created on freestore.

from dictionary

Definition at line 147 of file Reaction.C.

References dict, Foam::exit(), Foam::FatalError, FatalErrorInFunction, dictionary::lookup(), Foam::nl, and string::removeTrailing().

Referenced by Reaction< ReactionThermo >::New(), and Reaction< ReactionThermo >::Reaction().

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◆ New() [2/3]

Foam::autoPtr< Foam::Reaction< ReactionThermo > > New	(	const speciesTable &	species,
		const HashPtrTable< ReactionThermo > &	thermoDatabase,
		const objectRegistry &	ob,
		const dictionary &	dict
	)

static

Return a pointer to new patchField created on freestore.

from objectRegistry and dictionary

Definition at line 190 of file Reaction.C.

References dict, Foam::exit(), Foam::FatalError, FatalErrorInFunction, dictionary::lookup(), Foam::compressible::New(), Reaction< ReactionThermo >::New(), Foam::nl, and string::removeTrailing().

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◆ New() [3/3]

Foam::autoPtr< Foam::Reaction< ReactionThermo > > New	(	const speciesTable &	species,
		const PtrList< ReactionThermo > &	speciesThermo,
		const dictionary &	dict
	)

static

Return a pointer to new patchField created on freestore from dict.

This is used to construct a single reaction given a speciesThermo list from which a temporary thermoDatabase is created.

Definition at line 259 of file Reaction.C.

References Foam::clone(), forAll, HashTable< T *, Key, Hash >::insert(), Foam::name(), and Foam::compressible::New().

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◆ Tlow()

Foam::scalar Tlow ( ) const

inline

Return the lower temperature limit for the reaction.

Definition at line 31 of file ReactionI.H.

Referenced by Reaction< ReactionThermo >::~Reaction().

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◆ Thigh()

Foam::scalar Thigh ( ) const

inline

Return the upper temperature limit for the reaction.

Definition at line 38 of file ReactionI.H.

References Ostream::write().

Referenced by Reaction< ReactionThermo >::~Reaction().

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◆ preEvaluate()

virtual void preEvaluate ( ) const

pure virtual

Pre-evaluation hook.

Implemented in NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >, ReversibleReaction< ReactionThermo, ReactionRate >, IrreversibleReaction< ReactionThermo, ReactionRate >, and ReactionProxy< ReactionThermo >.

Referenced by Reaction< ReactionThermo >::~Reaction().

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◆ postEvaluate()

virtual void postEvaluate ( ) const

pure virtual

Post-evaluation hook.

Implemented in NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >, ReversibleReaction< ReactionThermo, ReactionRate >, IrreversibleReaction< ReactionThermo, ReactionRate >, and ReactionProxy< ReactionThermo >.

Referenced by Reaction< ReactionThermo >::~Reaction().

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◆ C()

void C	(	const scalar	p,
		const scalar	T,
		const scalarField &	c,
		const label	li,
		scalar &	Cf,
		scalar &	Cr
	)		const

Concentration powers.

Definition at line 290 of file Reaction.C.

References forAll, Foam::max(), Reaction< ReactionThermo >::omega(), and Foam::pow().

Referenced by Reaction< ReactionThermo >::write(), and Reaction< ReactionThermo >::~Reaction().

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◆ omega()

Foam::scalar omega	(	const scalar	p,
		const scalar	T,
		const scalarField &	c,
		const label	li,
		scalar &	omegaf,
		scalar &	omegar
	)		const

Net reaction rate.

Definition at line 319 of file Reaction.C.

References Reaction< ReactionThermo >::dNdtByV(), Foam::max(), and Foam::min().

Referenced by Reaction< ReactionThermo >::C(), chemistryModel< ThermoType >::calculateRR(), EFA< ThermoType >::reduceMechanism(), DRG< ThermoType >::reduceMechanism(), PFA< ThermoType >::reduceMechanism(), DAC< ThermoType >::reduceMechanism(), DRGEP< ThermoType >::reduceMechanism(), chemistryModel< ThermoType >::tc(), and Reaction< ReactionThermo >::~Reaction().

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◆ dNdtByV()

void dNdtByV	(	const scalar	p,
		const scalar	T,
		const scalarField &	c,
		const label	li,
		scalarField &	dNdtByV,
		const bool	reduced,
		const List< label > &	c2s,
		const label	Nsi0
	)		const

The net reaction rate for each species involved.

Definition at line 347 of file Reaction.C.

References Reaction< ReactionThermo >::ddNdtByVdcTp(), and forAll.

Referenced by Reaction< ReactionThermo >::omega(), and Reaction< ReactionThermo >::~Reaction().

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◆ kf()

virtual scalar kf	(	const scalar	p,
		const scalar	T,
		const scalarField &	c,
		const label	li
	)		const

pure virtual

Forward rate constant.

Implemented in NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >, ReversibleReaction< ReactionThermo, ReactionRate >, IrreversibleReaction< ReactionThermo, ReactionRate >, and ReactionProxy< ReactionThermo >.

Referenced by Reaction< ReactionThermo >::~Reaction().

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◆ kr() [1/2]

virtual scalar kr	(	const scalar	kf,
		const scalar	p,
		const scalar	T,
		const scalarField &	c,
		const label	li
	)		const

pure virtual

Reverse rate constant from the given forward rate constant.

Implemented in NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >, IrreversibleReaction< ReactionThermo, ReactionRate >, ReversibleReaction< ReactionThermo, ReactionRate >, and ReactionProxy< ReactionThermo >.

Referenced by Reaction< ReactionThermo >::~Reaction().

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◆ kr() [2/2]

virtual scalar kr	(	const scalar	p,
		const scalar	T,
		const scalarField &	c,
		const label	li
	)		const

pure virtual

Reverse rate constant.

Implemented in NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >, ReversibleReaction< ReactionThermo, ReactionRate >, IrreversibleReaction< ReactionThermo, ReactionRate >, and ReactionProxy< ReactionThermo >.

◆ dkfdT()

virtual scalar dkfdT	(	const scalar	p,
		const scalar	T,
		const scalarField &	c,
		const label	li
	)		const

pure virtual

Temperature derivative of forward rate.

Implemented in NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >, ReversibleReaction< ReactionThermo, ReactionRate >, IrreversibleReaction< ReactionThermo, ReactionRate >, and ReactionProxy< ReactionThermo >.

Referenced by Reaction< ReactionThermo >::~Reaction().

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◆ dkrdT()

virtual scalar dkrdT	(	const scalar	p,
		const scalar	T,
		const scalarField &	c,
		const label	li,
		const scalar	dkfdT,
		const scalar	kr
	)		const

pure virtual

Temperature derivative of reverse rate.

Implemented in NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >, ReversibleReaction< ReactionThermo, ReactionRate >, IrreversibleReaction< ReactionThermo, ReactionRate >, and ReactionProxy< ReactionThermo >.

Referenced by Reaction< ReactionThermo >::~Reaction().

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◆ hasDkdc()

virtual bool hasDkdc ( ) const

pure virtual

Does this reaction have concentration-dependent rate constants?

Implemented in NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >, ReversibleReaction< ReactionThermo, ReactionRate >, IrreversibleReaction< ReactionThermo, ReactionRate >, and ReactionProxy< ReactionThermo >.

Referenced by Reaction< ReactionThermo >::~Reaction().

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◆ dkfdc()

virtual void dkfdc	(	const scalar	p,
		const scalar	T,
		const scalarField &	c,
		const label	li,
		scalarField &	dkfdc
	)		const

pure virtual

Concentration derivative of forward rate.

Implemented in NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >, ReversibleReaction< ReactionThermo, ReactionRate >, IrreversibleReaction< ReactionThermo, ReactionRate >, and ReactionProxy< ReactionThermo >.

Referenced by Reaction< ReactionThermo >::~Reaction().

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◆ dkrdc()

virtual void dkrdc	(	const scalar	p,
		const scalar	T,
		const scalarField &	c,
		const label	li,
		const scalarField &	dkfdc,
		const scalar	kr,
		scalarField &	dkrdc
	)		const

pure virtual

Concentration derivative of reverse rate.

Implemented in NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >, ReversibleReaction< ReactionThermo, ReactionRate >, IrreversibleReaction< ReactionThermo, ReactionRate >, and ReactionProxy< ReactionThermo >.

Referenced by Reaction< ReactionThermo >::~Reaction().

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◆ ddNdtByVdcTp()

void ddNdtByVdcTp	(	const scalar	p,
		const scalar	T,
		const scalarField &	c,
		const label	li,
		scalarField &	dNdtByV,
		scalarSquareMatrix &	ddNdtByVdcTp,
		const bool	reduced,
		const List< label > &	c2s,
		const label	csi0,
		const label	Tsi,
		scalarField &	cTpWork0,
		scalarField &	cTpWork1
	)		const

Derivative of the net reaction rate for each species involved.

w.r.t. the concentration and temperature

Definition at line 378 of file Reaction.C.

References forAll, Foam::max(), and Foam::pow().

Referenced by Reaction< ReactionThermo >::dNdtByV(), and Reaction< ReactionThermo >::~Reaction().

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◆ write()

void write ( Ostream & os ) const

virtual

Write.

Reimplemented in NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >, ReversibleReaction< ReactionThermo, ReactionRate >, and IrreversibleReaction< ReactionThermo, ReactionRate >.

Definition at line 282 of file Reaction.C.

References Reaction< ReactionThermo >::C(), and Foam::vtkWriteOps::write().

Referenced by ReactionList< Foam::sutherlandTransport >::write(), and Reaction< ReactionThermo >::~Reaction().

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◆ operator=()

void operator= ( const Reaction< ReactionThermo > & )

delete

Disallow default bitwise assignment.

Referenced by Reaction< ReactionThermo >::~Reaction().

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Friends And Related Function Documentation

◆ operator

Ostream& operator	(	Ostream &	,
		const Reaction< ReactionThermo > &
	)

friend

Member Data Documentation

◆ TlowDefault

Foam::scalar TlowDefault

static

Default temperature limits of applicability of reaction rates.

Definition at line 79 of file Reaction.H.

◆ ThighDefault

Foam::scalar ThighDefault

static

Definition at line 79 of file Reaction.H.

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

src/thermophysicalModels/specie/reaction/Reactions/Reaction/Reaction.H
src/thermophysicalModels/specie/reaction/Reactions/Reaction/Reaction.C
src/thermophysicalModels/specie/reaction/Reactions/Reaction/ReactionI.H

Public Member Functions

Static Public Member Functions

Static Public Attributes

Friends

Detailed Description

template<class ReactionThermo> class Foam::Reaction< ReactionThermo >

Constructor & Destructor Documentation

◆ Reaction() [1/3]

◆ Reaction() [2/3]

◆ Reaction() [3/3]

◆ ~Reaction()

Member Function Documentation

◆ TypeName()

◆ declareRunTimeSelectionTable() [1/2]

◆ declareRunTimeSelectionTable() [2/2]

◆ clone() [1/2]

◆ clone() [2/2]

◆ New() [1/3]

◆ New() [2/3]

◆ New() [3/3]

◆ Tlow()

◆ Thigh()

◆ preEvaluate()

◆ postEvaluate()

◆ C()

◆ omega()

◆ dNdtByV()

◆ kf()

◆ kr() [1/2]

◆ kr() [2/2]

◆ dkfdT()

◆ dkrdT()

◆ hasDkdc()

◆ dkfdc()

◆ dkrdc()

◆ ddNdtByVdcTp()

◆ write()

◆ operator=()

Friends And Related Function Documentation

◆ operator

Member Data Documentation

◆ TlowDefault

◆ ThighDefault

template<class ReactionThermo>
class Foam::Reaction< ReactionThermo >