Simple extension of Reaction to handle reversible reactions using equilibrium thermodynamics. More...

Inheritance diagram for NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >:

Collaboration diagram for NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >:

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

	NonEquilibriumReversibleReaction (const Reaction< ReactionThermo > &reaction, const ReactionRate &forwardReactionRate, const ReactionRate &reverseReactionRate)
	Construct from components. More...

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

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

	NonEquilibriumReversibleReaction (const speciesTable &species, const HashPtrTable< ReactionThermo > &thermoDatabase, const objectRegistry &ob, const dictionary &dict)
	Construct from objectRegistry and dictionary. More...

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

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

virtual	~NonEquilibriumReversibleReaction ()
	Destructor. More...

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

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

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

virtual scalar	kr (const scalar kfwd, const scalar p, const scalar T, const scalarField &c, const label li) const
	Reverse rate constant from the given formard rate constant. More...

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

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

virtual const List< Tuple2< label, scalar > > &	beta () const
	Third-body efficiencies (beta = 1-alpha) More...

virtual void	dcidc (const scalar p, const scalar T, const scalarField &c, const label li, scalarField &dcidc) const
	Species concentration derivative of the pressure dependent term. More...

virtual scalar	dcidT (const scalar p, const scalar T, const scalarField &c, const label li) const
	Temperature derivative of the pressure dependent term. More...

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

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

Public Member Functions inherited from Reaction< ReactionThermo >
	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	~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...

void	omega (const scalar p, const scalar T, const scalarField &c, const label li, scalarField &dcdt) const
	Net reaction rate for individual species. 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	dwdc (const scalar p, const scalar T, const scalarField &c, const label li, scalarSquareMatrix &J, scalarField &dcdt, scalar &omegaI, scalar &kfwd, scalar &kbwd, const bool reduced, const List< label > &c2s) const
	Derivative of the net reaction rate for each species involved. More...

void	dwdT (const scalar p, const scalar T, const scalarField &c, const label li, const scalar omegaI, const scalar kfwd, const scalar kbwd, scalarSquareMatrix &J, const bool reduced, const List< label > &c2s, const label indexT) const
	Derivative of the net reaction rate for each species involved. 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...

Additional Inherited Members
Static Public Member Functions inherited from Reaction< ReactionThermo >
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 inherited from Reaction< ReactionThermo >
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...

Detailed Description

template<class ReactionThermo, class ReactionRate>
class Foam::NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >

Simple extension of Reaction to handle reversible reactions using equilibrium thermodynamics.

Source files

Definition at line 50 of file NonEquilibriumReversibleReaction.H.

Constructor & Destructor Documentation

◆ NonEquilibriumReversibleReaction() [1/4]

NonEquilibriumReversibleReaction	(	const Reaction< ReactionThermo > &	reaction,
		const ReactionRate &	forwardReactionRate,
		const ReactionRate &	reverseReactionRate
	)

Construct from components.

Definition at line 33 of file NonEquilibriumReversibleReaction.C.

Referenced by NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >::NonEquilibriumReversibleReaction().

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◆ NonEquilibriumReversibleReaction() [2/4]

NonEquilibriumReversibleReaction	(	const NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate > &	nerr,
		const speciesTable &	species
	)

Construct as copy given new speciesTable.

Definition at line 79 of file NonEquilibriumReversibleReaction.C.

References NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >::preEvaluate().

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◆ NonEquilibriumReversibleReaction() [3/4]

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

Construct from dictionary.

Definition at line 48 of file NonEquilibriumReversibleReaction.C.

References NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >::NonEquilibriumReversibleReaction().

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◆ NonEquilibriumReversibleReaction() [4/4]

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

Construct from objectRegistry and dictionary.

Definition at line 63 of file NonEquilibriumReversibleReaction.C.

References NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >::NonEquilibriumReversibleReaction().

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◆ ~NonEquilibriumReversibleReaction()

virtual ~NonEquilibriumReversibleReaction ( )

inlinevirtual

Destructor.

Definition at line 139 of file NonEquilibriumReversibleReaction.H.

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Member Function Documentation

◆ TypeName()

TypeName ( "nonEquilibriumReversible" )

Runtime type information.

◆ clone() [1/2]

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

inlinevirtual

Construct and return a clone.

Implements Reaction< ReactionThermo >.

Definition at line 105 of file NonEquilibriumReversibleReaction.H.

◆ clone() [2/2]

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

inlinevirtual

Construct and return a clone with new speciesTable.

Implements Reaction< ReactionThermo >.

Definition at line 119 of file NonEquilibriumReversibleReaction.H.

References reaction::species().

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◆ preEvaluate()

void preEvaluate ( ) const

virtual

Pre-evaluation hook.

Implements Reaction< ReactionThermo >.

Definition at line 94 of file NonEquilibriumReversibleReaction.C.

References NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >::postEvaluate().

Referenced by NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >::NonEquilibriumReversibleReaction(), and NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >::~NonEquilibriumReversibleReaction().

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◆ postEvaluate()

void postEvaluate ( ) const

virtual

Post-evaluation hook.

Implements Reaction< ReactionThermo >.

Definition at line 103 of file NonEquilibriumReversibleReaction.C.

References NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >::kf().

Referenced by NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >::preEvaluate(), and NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >::~NonEquilibriumReversibleReaction().

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◆ kf()

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

virtual

Forward rate constant.

Implements Reaction< ReactionThermo >.

Definition at line 113 of file NonEquilibriumReversibleReaction.C.

References NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >::kr().

Referenced by NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >::postEvaluate(), and NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >::~NonEquilibriumReversibleReaction().

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◆ kr() [1/2]

Foam::scalar kr	(	const scalar	kfwd,
		const scalar	p,
		const scalar	T,
		const scalarField &	c,
		const label	li
	)		const

virtual

Reverse rate constant from the given formard rate constant.

Implements Reaction< ReactionThermo >.

Definition at line 127 of file NonEquilibriumReversibleReaction.C.

Referenced by NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >::kf(), and NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >::~NonEquilibriumReversibleReaction().

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◆ kr() [2/2]

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

virtual

Reverse rate constant.

Note this evaluates the forward rate constant and divides by the equilibrium constant

Implements Reaction< ReactionThermo >.

Definition at line 142 of file NonEquilibriumReversibleReaction.C.

References NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >::dkfdT().

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◆ dkfdT()

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

virtual

Temperature derivative of forward rate.

Implements Reaction< ReactionThermo >.

Definition at line 156 of file NonEquilibriumReversibleReaction.C.

References NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >::dkrdT().

Referenced by NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >::kr(), and NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >::~NonEquilibriumReversibleReaction().

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◆ dkrdT()

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

virtual

Temperature derivative of backward rate.

Implements Reaction< ReactionThermo >.

Definition at line 170 of file NonEquilibriumReversibleReaction.C.

References NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >::beta().

Referenced by NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >::dkfdT(), and NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >::~NonEquilibriumReversibleReaction().

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◆ beta()

const Foam::List< Foam::Tuple2< Foam::label, Foam::scalar > > & beta ( ) const

virtual

Third-body efficiencies (beta = 1-alpha)

non-empty only for third-body reactions with enhanced molecularity (alpha != 1)

Implements Reaction< ReactionThermo >.

Definition at line 186 of file NonEquilibriumReversibleReaction.C.

References NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >::dcidc().

Referenced by NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >::dkrdT(), and NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >::~NonEquilibriumReversibleReaction().

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◆ dcidc()

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

virtual

Species concentration derivative of the pressure dependent term.

By default this value is 1 as it multiplies the third-body term

Implements Reaction< ReactionThermo >.

Definition at line 195 of file NonEquilibriumReversibleReaction.C.

References NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >::dcidT().

Referenced by NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >::beta(), and NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >::~NonEquilibriumReversibleReaction().

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◆ dcidT()

Foam::scalar dcidT	(	const scalar	p,
		const scalar	T,
		const scalarField &	c,
		const label	li
	)		const

virtual

Temperature derivative of the pressure dependent term.

By default this value is 0 since ddT of molecularity is approx.0

Implements Reaction< ReactionThermo >.

Definition at line 210 of file NonEquilibriumReversibleReaction.C.

References NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >::write().

Referenced by NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >::dcidc(), and NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >::~NonEquilibriumReversibleReaction().

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◆ write()

void write ( Ostream & os ) const

virtual

Write.

Reimplemented from Reaction< ReactionThermo >.

Definition at line 224 of file NonEquilibriumReversibleReaction.C.

References Foam::decrIndent(), Foam::incrIndent(), Foam::indent(), Foam::nl, Foam::vtkWriteOps::write(), and Ostream::write().

Referenced by NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >::dcidT(), and NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >::~NonEquilibriumReversibleReaction().

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◆ operator=()

void operator= ( const NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate > & )

delete

Disallow default bitwise assignment.

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

src/thermophysicalModels/specie/reaction/Reactions/NonEquilibriumReversibleReaction/NonEquilibriumReversibleReaction.H
src/thermophysicalModels/specie/reaction/Reactions/NonEquilibriumReversibleReaction/NonEquilibriumReversibleReaction.C

Public Member Functions

Additional Inherited Members

Detailed Description

template<class ReactionThermo, class ReactionRate> class Foam::NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >

Constructor & Destructor Documentation

◆ NonEquilibriumReversibleReaction() [1/4]

◆ NonEquilibriumReversibleReaction() [2/4]

◆ NonEquilibriumReversibleReaction() [3/4]

◆ NonEquilibriumReversibleReaction() [4/4]

◆ ~NonEquilibriumReversibleReaction()

Member Function Documentation

◆ TypeName()

◆ clone() [1/2]

◆ clone() [2/2]

◆ preEvaluate()

◆ postEvaluate()

◆ kf()

◆ kr() [1/2]

◆ kr() [2/2]

◆ dkfdT()

◆ dkrdT()

◆ beta()

◆ dcidc()

◆ dcidT()

◆ write()

◆ operator=()

template<class ReactionThermo, class ReactionRate>
class Foam::NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >