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

Classes
struct	specieCoeffs
	Class to hold the specie index and its coefficients in the. More...

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))

	Reaction (const speciesTable &species, const List< specieCoeffs > &lhs, const List< specieCoeffs > &rhs, const HashPtrTable< 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 HashPtrTable< ReactionThermo > &thermoDatabase, const dictionary &dict, bool initReactionThermo=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

const List< specieCoeffs > &	lhs () const

const List< specieCoeffs > &	rhs () const

virtual const List< specieCoeffs > &	grhs () const

virtual const List< specieCoeffs > &	glhs () const

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

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

void	setLRhs (Istream &, const speciesTable &, List< specieCoeffs > &lhs, List< specieCoeffs > &rhs)
	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 &) const
	Write. 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 from dict. More...

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

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

void	reactionStrRight (OStringStream &reaction) const
	Return string representation of the right of the reaction. 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 56 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,
		bool	initReactionThermo = `true`
	)

Construct from components.

Definition at line 157 of file Reaction.C.

◆ Reaction() [2/3]

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

Construct as copy given new speciesTable.

Definition at line 180 of file Reaction.C.

◆ Reaction() [3/3]

Reaction	(	const speciesTable &	species,
		const HashPtrTable< ReactionThermo > &	thermoDatabase,
		const dictionary &	dict,
		bool	initReactionThermo = `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.

References dict.

◆ ~Reaction()

virtual ~Reaction ( )

virtualdefault

Destructor.

Member Function Documentation

◆ reactionStrLeft()

void reactionStrLeft ( OStringStream & reaction ) const

protected

Return string representation of the left of the reaction.

Definition at line 41 of file Reaction.C.

References Foam::mag(), and reaction.

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◆ reactionStrRight()

void reactionStrRight ( OStringStream & reaction ) const

protected

Return string representation of the right of the reaction.

Definition at line 66 of file Reaction.C.

References Foam::mag(), and reaction.

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◆ TypeName()

TypeName ( "Reaction< ReactionThermo >" )

Runtime type information.

◆ declareRunTimeSelectionTable()

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

◆ clone() [1/2]

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

inlinevirtual

Construct and return a clone.

Definition at line 215 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.

Definition at line 222 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 HashPtrTable< ReactionThermo > &	thermoDatabase,
		const dictionary &	dict
	)

static

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

Definition at line 353 of file Reaction.C.

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

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

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◆ name()

const word & name ( ) const

inline

Definition at line 38 of file ReactionI.H.

Referenced by ReactionList< Foam::sutherlandTransport >::write().

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◆ lhs()

const List< typename Reaction< ReactionThermo >::specieCoeffs > & lhs ( ) const

inline

Definition at line 46 of file ReactionI.H.

◆ rhs()

const List< typename Reaction< ReactionThermo >::specieCoeffs > & rhs ( ) const

inline

Definition at line 54 of file ReactionI.H.

◆ grhs()

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

virtual

Definition at line 454 of file Reaction.C.

References NotImplemented.

◆ glhs()

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

virtual

Definition at line 445 of file Reaction.C.

References NotImplemented.

◆ species()

const Foam::speciesTable & species ( ) const

Access to specie list.

Definition at line 429 of file Reaction.C.

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

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◆ gasSpecies()

const Foam::speciesTable & gasSpecies ( ) const

virtual

Access to gas specie list.

Definition at line 436 of file Reaction.C.

References NotImplemented.

◆ setLRhs()

void setLRhs	(	Istream &	is,
		const speciesTable &	species,
		List< specieCoeffs > &	lhs,
		List< specieCoeffs > &	rhs
	)

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

Definition at line 239 of file Reaction.C.

References DynamicList< T, SizeMin >::append(), DynamicList< T, SizeMin >::clear(), Foam::exit(), Foam::FatalIOError, FatalIOErrorInFunction, IOstream::good(), token::isPunctuation(), Istream::putBack(), DynamicList< T, SizeMin >::remove(), and DynamicList< T, SizeMin >::shrink().

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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 393 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 405 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 418 of file Reaction.C.

◆ write()

void write ( Ostream & os ) const

virtual

Write.

Definition at line 384 of file Reaction.C.

References reaction, and Ostream::writeEntry().

Referenced by Foam::operator<<(), and ReactionList< Foam::sutherlandTransport >::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 87 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

Classes

Public Member Functions

Static Public Member Functions

Static Public Attributes

Protected Member Functions

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

◆ reactionStrLeft()

◆ reactionStrRight()

◆ TypeName()

◆ declareRunTimeSelectionTable()

◆ clone() [1/2]

◆ clone() [2/2]

◆ New()

◆ name()

◆ lhs()

◆ rhs()

◆ grhs()

◆ glhs()

◆ species()

◆ gasSpecies()

◆ setLRhs()

◆ kf()

◆ kr() [1/2]

◆ kr() [2/2]

◆ write()

Friends And Related Function Documentation

◆ operator

Member Data Documentation

◆ nUnNamedReactions

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