Extension of Reaction to handle reversible reactions using equilibrium thermodynamics. More...

Inheritance diagram for ReversibleReaction< ThermoType, ReactionRate >:

Collaboration diagram for ReversibleReaction< ThermoType, ReactionRate >:

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

	ReversibleReaction (const Reaction< ThermoType > &reaction, const ReactionRate &k)
	Construct from components. More...

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

	ReversibleReaction (const speciesTable &species, const PtrList< ThermoType > &speciesThermo, const dictionary &dict)
	Construct from dictionary. More...

	ReversibleReaction (const speciesTable &species, const PtrList< ThermoType > &speciesThermo, const objectRegistry &ob, const dictionary &dict)
	Construct from objectRegistry and dictionary. More...

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

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

virtual	~ReversibleReaction ()
	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 forward 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 bool	hasDkdc () const
	Does this reaction have concentration-dependent rate constants? More...

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

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

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

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

Public Member Functions inherited from Reaction< ThermoType >
	TypeName ("Reaction")
	Runtime type information. More...

	declareRunTimeSelectionTable (autoPtr, Reaction, dictionary,(const speciesTable &species, const PtrList< ThermoType > &speciesThermo, const dictionary &dict),(species, speciesThermo, dict))

	declareRunTimeSelectionTable (autoPtr, Reaction, objectRegistry,(const speciesTable &species, const PtrList< ThermoType > &speciesThermo, const objectRegistry &ob, const dictionary &dict),(species, speciesThermo, ob, dict))

	Reaction (const speciesTable &species, const PtrList< ThermoType > &speciesThermo, const List< specieCoeffs > &lhs, const List< specieCoeffs > &rhs)
	Construct from components. More...

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

	Reaction (const speciesTable &species, const PtrList< ThermoType > &speciesThermo, 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...

dimensionSet	kfDims () const
	Dimensions of the forward rate. More...

dimensionSet	krDims () const
	Dimensions of the reverse rate. 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...

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...

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

const word &	name () const
	Return the name of the reaction. 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< ThermoType >
static autoPtr< Reaction< ThermoType > >	New (const speciesTable &species, const PtrList< ThermoType > &speciesThermo, const dictionary &dict)
	Return a pointer to new reaction created from a dictionary. More...

static autoPtr< Reaction< ThermoType > >	New (const speciesTable &species, const PtrList< ThermoType > &speciesThermo, const objectRegistry &ob, const dictionary &dict)
	Return a pointer to new reaction created from an objectRegistry and. More...

Static Public Attributes inherited from Reaction< ThermoType >
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 ThermoType, class ReactionRate>
class Foam::ReversibleReaction< ThermoType, ReactionRate >

Extension of Reaction to handle reversible reactions using equilibrium thermodynamics.

Source files

Definition at line 50 of file ReversibleReaction.H.

Constructor & Destructor Documentation

◆ ReversibleReaction() [1/4]

ReversibleReaction	(	const Reaction< ThermoType > &	reaction,
		const ReactionRate &	k
	)

Construct from components.

Definition at line 31 of file ReversibleReaction.C.

◆ ReversibleReaction() [2/4]

ReversibleReaction	(	const ReversibleReaction< ThermoType, ReactionRate > &	rr,
		const speciesTable &	species
	)

Construct as copy given new speciesTable.

Definition at line 70 of file ReversibleReaction.C.

◆ ReversibleReaction() [3/4]

ReversibleReaction	(	const speciesTable &	species,
		const PtrList< ThermoType > &	speciesThermo,
		const dictionary &	dict
	)

Construct from dictionary.

Definition at line 43 of file ReversibleReaction.C.

◆ ReversibleReaction() [4/4]

ReversibleReaction	(	const speciesTable &	species,
		const PtrList< ThermoType > &	speciesThermo,
		const objectRegistry &	ob,
		const dictionary &	dict
	)

Construct from objectRegistry and dictionary.

Definition at line 56 of file ReversibleReaction.C.

◆ ~ReversibleReaction()

virtual ~ReversibleReaction ( )

inlinevirtual

Destructor.

Definition at line 128 of file ReversibleReaction.H.

Member Function Documentation

◆ TypeName()

TypeName ( "reversible" )

Runtime type information.

◆ clone() [1/2]

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

inlinevirtual

Construct and return a clone.

Implements Reaction< ThermoType >.

Definition at line 99 of file ReversibleReaction.H.

◆ clone() [2/2]

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

inlinevirtual

Construct and return a clone with new speciesTable.

Implements Reaction< ThermoType >.

Definition at line 111 of file ReversibleReaction.H.

References reaction::species().

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◆ preEvaluate()

void preEvaluate

virtual

Pre-evaluation hook.

Implements Reaction< ThermoType >.

Definition at line 84 of file ReversibleReaction.C.

◆ postEvaluate()

void postEvaluate

virtual

Post-evaluation hook.

Implements Reaction< ThermoType >.

Definition at line 91 of file ReversibleReaction.C.

◆ kf()

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

virtual

Forward rate constant.

Implements Reaction< ThermoType >.

Definition at line 98 of file ReversibleReaction.C.

References Foam::constant::universal::c, p, and Foam::T().

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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 forward rate constant.

Implements Reaction< ThermoType >.

Definition at line 111 of file ReversibleReaction.C.

References Foam::max(), p, and Foam::T().

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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< ThermoType >.

Definition at line 125 of file ReversibleReaction.C.

References Foam::constant::universal::c, p, and Foam::T().

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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< ThermoType >.

Definition at line 138 of file ReversibleReaction.C.

References Foam::constant::universal::c, p, and Foam::T().

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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< ThermoType >.

Definition at line 151 of file ReversibleReaction.C.

References Foam::max(), p, and Foam::T().

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◆ hasDkdc()

bool hasDkdc

virtual

Does this reaction have concentration-dependent rate constants?

Implements Reaction< ThermoType >.

Definition at line 169 of file ReversibleReaction.C.

◆ dkfdc()

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

virtual

Concentration derivative of forward rate.

Implements Reaction< ThermoType >.

Definition at line 176 of file ReversibleReaction.C.

References Foam::constant::universal::c, p, and Foam::T().

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◆ dkrdc()

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

virtual

Concentration derivative of reverse rate.

Implements Reaction< ThermoType >.

Definition at line 190 of file ReversibleReaction.C.

References Foam::max(), p, and Foam::T().

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◆ write()

void write ( Ostream & os ) const

virtual

Write.

Reimplemented from Reaction< ThermoType >.

Definition at line 208 of file ReversibleReaction.C.

References Reaction< ThermoType >::write().

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◆ operator=()

void operator= ( const ReversibleReaction< ThermoType, ReactionRate > & )

delete

Disallow default bitwise assignment.

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

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

Public Member Functions

Additional Inherited Members

Detailed Description

template<class ThermoType, class ReactionRate> class Foam::ReversibleReaction< ThermoType, ReactionRate >

Constructor & Destructor Documentation

◆ ReversibleReaction() [1/4]

◆ ReversibleReaction() [2/4]

◆ ReversibleReaction() [3/4]

◆ ReversibleReaction() [4/4]

◆ ~ReversibleReaction()

Member Function Documentation

◆ TypeName()

◆ clone() [1/2]

◆ clone() [2/2]

◆ preEvaluate()

◆ postEvaluate()

◆ kf()

◆ kr() [1/2]

◆ kr() [2/2]

◆ dkfdT()

◆ dkrdT()

◆ hasDkdc()

◆ dkfdc()

◆ dkrdc()

◆ write()

◆ operator=()

template<class ThermoType, class ReactionRate>
class Foam::ReversibleReaction< ThermoType, ReactionRate >