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

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)
	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)
	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
	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 59 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 158 of file Reaction.C.

◆ Reaction() [2/3]

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

Construct as copy given new speciesTable.

Definition at line 181 of file Reaction.C.

◆ Reaction() [3/3]

Reaction	(	const speciesTable &	species,
		const ReactionTable< 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 323 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 42 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 67 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 ReactionTable< 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 218 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 225 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 354 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

inlinenoexcept

Name of reaction.

Definition at line 253 of file Reaction.H.

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

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◆ species()

const speciesTable& species ( ) const

inlinenoexcept

Access to specie list.

Definition at line 256 of file Reaction.H.

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

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◆ lhs()

const List<specieCoeffs>& lhs ( ) const

inlinenoexcept

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

Definition at line 259 of file Reaction.H.

◆ rhs()

const List<specieCoeffs>& rhs ( ) const

inlinenoexcept

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

Definition at line 262 of file Reaction.H.

◆ gasSpecies()

const Foam::speciesTable & gasSpecies ( ) const

virtual

Access to gas specie list.

Definition at line 430 of file Reaction.C.

References NotImplemented.

◆ grhs()

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

virtual

Access to gas components of the reaction.

Definition at line 448 of file Reaction.C.

References NotImplemented.

◆ glhs()

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

virtual

Definition at line 439 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 240 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 394 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 406 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 419 of file Reaction.C.

◆ write()

void write ( Ostream & os ) const

virtual

Write.

Definition at line 385 of file Reaction.C.

References os(), and reaction.

Referenced by 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 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

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()

◆ 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

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