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

Inheritance diagram for NonEquilibriumReversibleReaction< ReactionType, ReactionThermo, ReactionRate >:

Collaboration diagram for NonEquilibriumReversibleReaction< ReactionType, ReactionThermo, ReactionRate >:

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

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

	NonEquilibriumReversibleReaction (const NonEquilibriumReversibleReaction< ReactionType, 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...

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

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

virtual	~NonEquilibriumReversibleReaction ()
	Destructor. More...

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

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

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

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

virtual scalar	dkrdT (const scalar p, const scalar T, const scalarField &c, 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, 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
	Temperature derivative of the pressure dependent term. More...

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

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

Detailed Description

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

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

Source files

Definition at line 55 of file NonEquilibriumReversibleReaction.H.

Constructor & Destructor Documentation

◆ NonEquilibriumReversibleReaction() [1/3]

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

Construct from components.

Definition at line 43 of file NonEquilibriumReversibleReaction.C.

◆ NonEquilibriumReversibleReaction() [2/3]

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

Construct as copy given new speciesTable.

Definition at line 93 of file NonEquilibriumReversibleReaction.C.

◆ NonEquilibriumReversibleReaction() [3/3]

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

Construct from dictionary.

Definition at line 68 of file NonEquilibriumReversibleReaction.C.

◆ ~NonEquilibriumReversibleReaction()

virtual ~NonEquilibriumReversibleReaction ( )

inlinevirtual

Destructor.

Definition at line 123 of file NonEquilibriumReversibleReaction.H.

Here is the call graph for this function:

Member Function Documentation

◆ TypeName()

TypeName ( "nonEquilibriumReversible" )

Runtime type information.

◆ clone() [1/2]

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

inlinevirtual

Construct and return a clone.

Definition at line 98 of file NonEquilibriumReversibleReaction.H.

◆ clone() [2/2]

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

inlinevirtual

Construct and return a clone with new speciesTable.

Definition at line 109 of file NonEquilibriumReversibleReaction.H.

◆ kf()

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

virtual

Forward rate constant.

Definition at line 124 of file NonEquilibriumReversibleReaction.C.

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

Here is the caller graph for this function:

◆ kr() [1/2]

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

virtual

Reverse rate constant from the given formard rate constant.

Definition at line 147 of file NonEquilibriumReversibleReaction.C.

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

Here is the caller graph for this function:

◆ kr() [2/2]

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

virtual

Reverse rate constant.

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

Definition at line 171 of file NonEquilibriumReversibleReaction.C.

◆ dkfdT()

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

virtual

Temperature derivative of forward rate.

Definition at line 194 of file NonEquilibriumReversibleReaction.C.

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

Here is the caller graph for this function:

◆ dkrdT()

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

virtual

Temperature derivative of backward rate.

Definition at line 217 of file NonEquilibriumReversibleReaction.C.

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

Here is the caller graph for this function:

◆ 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)

Definition at line 241 of file NonEquilibriumReversibleReaction.C.

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

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

Here is the call graph for this function:

Here is the caller graph for this function:

◆ dcidc()

void dcidc	(	const scalar	p,
		const scalar	T,
		const scalarField &	c,
		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

Definition at line 259 of file NonEquilibriumReversibleReaction.C.

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

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

Here is the call graph for this function:

Here is the caller graph for this function:

◆ dcidT()

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

virtual

Temperature derivative of the pressure dependent term.

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

Definition at line 282 of file NonEquilibriumReversibleReaction.C.

References NonEquilibriumReversibleReaction< ReactionType, ReactionThermo, ReactionRate >::dcidT(), and Foam::blockMeshTools::write().

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

Here is the call graph for this function:

Here is the caller graph for this function:

◆ write()

void write ( Ostream & os ) const

virtual

Write.

Definition at line 304 of file NonEquilibriumReversibleReaction.C.

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

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

Here is the call graph for this function:

Here is the caller graph for this function:

◆ operator=()

void operator= ( const NonEquilibriumReversibleReaction< ReactionType, 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

Detailed Description

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

Constructor & Destructor Documentation

◆ NonEquilibriumReversibleReaction() [1/3]

◆ NonEquilibriumReversibleReaction() [2/3]

◆ NonEquilibriumReversibleReaction() [3/3]

◆ ~NonEquilibriumReversibleReaction()

Member Function Documentation

◆ TypeName()

◆ clone() [1/2]

◆ clone() [2/2]

◆ kf()

◆ kr() [1/2]

◆ kr() [2/2]

◆ dkfdT()

◆ dkrdT()

◆ beta()

◆ dcidc()

◆ dcidT()

◆ write()

◆ operator=()

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