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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Classes
struct	specieCoeffs

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

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

	Reaction (const speciesTable &species, const List< specieCoeffs > &lhs, const List< specieCoeffs > &rhs, const ReactionTable< ReactionThermo > &thermoDatabase, bool initReactionThermo=true)
	Construct from components. More...

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

	Reaction (const speciesTable &species, const ReactionTable< ReactionThermo > &thermoDatabase, const dictionary &dict, bool initReactionThermo=true, bool failUnknownSpecie=true)
	Construct from 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	~Reaction ()=default
	Destructor. More...

const word &	name () const noexcept
	Name of reaction. More...

const speciesTable &	species () const noexcept
	Access to specie list. More...

const List< specieCoeffs > &	lhs () const noexcept
	Specie info for the left-hand-side of the reaction. More...

const List< specieCoeffs > &	rhs () const noexcept
	Specie info for the right-hand-side of the reaction. More...

virtual const speciesTable &	gasSpecies () const
	Access to gas specie list. More...

virtual const List< specieCoeffs > &	grhs () const
	Access to gas components of the reaction. More...

virtual const List< specieCoeffs > &	glhs () const

void	setLRhs (Istream &, const speciesTable &, List< specieCoeffs > &lhs, List< specieCoeffs > &rhs, bool failUnknownSpecie=true)
	Construct the left- and right-hand-side reaction coefficients. 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 forward rate constant. More...

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

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

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

Static Public Attributes
static label	nUnNamedReactions = 0
	Number of un-named reactions. More...

Protected Member Functions
void	reactionStrLeft (OStringStream &reaction) const
	Add string representation of the left of the reaction. More...

void	reactionStrRight (OStringStream &reaction) const
	Add string representation of the right of the reaction. More...

Static Protected Member Functions
static void	reactionStr (OStringStream &reaction, const speciesTable &species, const List< specieCoeffs > &reactCoeffs)
	Add string representation for given species reaction coeffs. 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 70 of file Reaction.H.

Constructor & Destructor Documentation

◆ Reaction() [1/3]

Reaction	(	const speciesTable &	species,
		const List< specieCoeffs > &	lhs,
		const List< specieCoeffs > &	rhs,
		const ReactionTable< ReactionThermo > &	thermoDatabase,
		bool	initReactionThermo = `true`
	)

Construct from components.

Definition at line 156 of file Reaction.C.

◆ Reaction() [2/3]

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

Construct as copy given new speciesTable.

Definition at line 179 of file Reaction.C.

References Foam::name().

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◆ Reaction() [3/3]

Reaction	(	const speciesTable &	species,
		const ReactionTable< ReactionThermo > &	thermoDatabase,
		const dictionary &	dict,
		bool	initReactionThermo = `true`,
		bool	failUnknownSpecie = `true`
	)

Construct from dictionary.

NOTE: initReactionThermo is used by solidReaction where there is no need of setting a lhs - rhs thermo type for each reaction. This is needed for mechanism with reversible reactions

Definition at line 322 of file Reaction.C.

◆ ~Reaction()

virtual ~Reaction ( )

virtualdefault

Destructor.

Member Function Documentation

◆ reactionStr()

void reactionStr	(	OStringStream &	reaction,
		const speciesTable &	species,
		const List< specieCoeffs > &	reactCoeffs
	)

staticprotected

Add string representation for given species reaction coeffs.

Definition at line 41 of file Reaction.C.

References Reaction< ReactionThermo >::specieCoeffs::exponent, Reaction< ReactionThermo >::specieCoeffs::index, Foam::mag(), reaction, UList< T >::size(), and Reaction< ReactionThermo >::specieCoeffs::stoichCoeff.

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◆ reactionStrLeft()

void reactionStrLeft ( OStringStream & reaction ) const

protected

Add string representation of the left of the reaction.

Definition at line 70 of file Reaction.C.

References reaction.

◆ reactionStrRight()

void reactionStrRight ( OStringStream & reaction ) const

protected

Add string representation of the right of the reaction.

Definition at line 80 of file Reaction.C.

References reaction.

◆ TypeName()

TypeName ( "Reaction< ReactionThermo >" )

Runtime type information.

◆ declareRunTimeSelectionTable()

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

◆ clone() [1/2]

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

inlinevirtual

Construct and return a clone.

Reimplemented in solidReaction< ReactionThermo >.

Definition at line 232 of file Reaction.H.

References Reaction< ReactionThermo >::New().

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◆ clone() [2/2]

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

inlinevirtual

Construct and return a clone with new speciesTable.

Reimplemented in solidReaction< ReactionThermo >.

Definition at line 238 of file Reaction.H.

References Reaction< ReactionThermo >::New(), and Reaction< ReactionThermo >::species().

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◆ New()

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

static

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

Definition at line 355 of file Reaction.C.

References dict, Foam::exit(), Foam::FatalIOError, FatalIOErrorInLookup, and dictionary::get().

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

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◆ name()

const word & name ( ) const

inlinenoexcept

Name of reaction.

Definition at line 267 of file Reaction.H.

Referenced by ReactionList< ThermoType >::write().

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◆ species()

const speciesTable & species ( ) const

inlinenoexcept

Access to specie list.

Definition at line 270 of file Reaction.H.

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

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◆ lhs()

const List< specieCoeffs > & lhs ( ) const

inlinenoexcept

Specie info for the left-hand-side of the reaction.

Definition at line 273 of file Reaction.H.

◆ rhs()

const List< specieCoeffs > & rhs ( ) const

inlinenoexcept

Specie info for the right-hand-side of the reaction.

Definition at line 276 of file Reaction.H.

◆ gasSpecies()

const Foam::speciesTable & gasSpecies

virtual

Access to gas specie list.

Reimplemented in solidReaction< ReactionThermo >.

Definition at line 432 of file Reaction.C.

References NotImplemented.

◆ grhs()

const Foam::List< typename Foam::Reaction< ReactionThermo >::specieCoeffs > & grhs

virtual

Access to gas components of the reaction.

Reimplemented in solidReaction< ReactionThermo >.

Definition at line 450 of file Reaction.C.

References NotImplemented.

◆ glhs()

const Foam::List< typename Foam::Reaction< ReactionThermo >::specieCoeffs > & glhs

virtual

Reimplemented in solidReaction< ReactionThermo >.

Definition at line 441 of file Reaction.C.

References NotImplemented.

◆ setLRhs()

void setLRhs	(	Istream &	is,
		const speciesTable &	species,
		List< specieCoeffs > &	lhs,
		List< specieCoeffs > &	rhs,
		bool	failUnknownSpecie = `true`
	)

Construct the left- and right-hand-side reaction coefficients.

Definition at line 247 of file Reaction.C.

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

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◆ kf()

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

virtual

Forward rate constant.

Definition at line 395 of file Reaction.C.

◆ 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 forward rate constant.

Definition at line 407 of file Reaction.C.

◆ 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 420 of file Reaction.C.

◆ write()

void write ( Ostream & os ) const

virtual

Write.

Reimplemented in solidReaction< ReactionThermo >.

Definition at line 387 of file Reaction.C.

References os(), reaction, and Ostream::writeEntry().

Referenced by ReactionList< ThermoType >::write().

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Friends And Related Function Documentation

◆ operator

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

friend

Member Data Documentation

◆ nUnNamedReactions

Foam::label nUnNamedReactions = 0

static

Number of un-named reactions.

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

Classes

Public Member Functions

Static Public Member Functions

Static Public Attributes

Protected Member Functions

Static Protected Member Functions

Friends

Detailed Description

Constructor & Destructor Documentation

◆ Reaction() [1/3]

◆ Reaction() [2/3]

◆ Reaction() [3/3]

◆ ~Reaction()

Member Function Documentation

◆ reactionStr()

◆ reactionStrLeft()

◆ reactionStrRight()

◆ TypeName()

◆ declareRunTimeSelectionTable()

◆ clone() [1/2]

◆ clone() [2/2]

◆ New()

◆ name()

◆ species()

◆ lhs()

◆ rhs()

◆ gasSpecies()

◆ grhs()

◆ glhs()

◆ setLRhs()

◆ kf()

◆ kr() [1/2]

◆ kr() [2/2]

◆ write()

Friends And Related Function Documentation

◆ operator

Member Data Documentation

◆ nUnNamedReactions