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

#include <Reaction.H>

Inheritance diagram for Reaction< ReactionThermo >:

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Collaboration diagram for Reaction< ReactionThermo >:

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Classes
struct	specieCoeffs
	Hold specie index and its coefficients in the reaction rate expression. More...

Public Member Functions
	TypeName ("Reaction")
	Runtime type information.
	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.
	Reaction (const Reaction< ReactionThermo > &, const speciesTable &species)
	Construct as copy given new speciesTable.
	Reaction (const speciesTable &species, const ReactionTable< ReactionThermo > &thermoDatabase, const dictionary &dict, bool initReactionThermo=true, bool failUnknownSpecie=true)
	Construct from dictionary.
virtual autoPtr< Reaction< ReactionThermo > >	clone () const
	Construct and return a clone.
virtual autoPtr< Reaction< ReactionThermo > >	clone (const speciesTable &species) const
	Construct and return a clone with new speciesTable.
virtual	~Reaction ()=default
	Destructor.
const word &	name () const noexcept
	Name of reaction.
const speciesTable &	species () const noexcept
	Access to specie list.
const List< specieCoeffs > &	lhs () const noexcept
	Specie info for the left-hand-side of the reaction.
const List< specieCoeffs > &	rhs () const noexcept
	Specie info for the right-hand-side of the reaction.
virtual const speciesTable &	gasSpecies () const
	Access to gas specie list.
virtual const List< specieCoeffs > &	grhs () const
	Access to gas components of the reaction.
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.
virtual scalar	kf (const scalar p, const scalar T, const scalarField &c) const
	Forward rate constant.
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.
virtual scalar	kr (const scalar p, const scalar T, const scalarField &c) const
	Reverse rate constant.
virtual void	write (Ostream &os) const
	Write.

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.

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

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

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

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 66 of file Reaction.H.

Constructor & Destructor Documentation

◆ Reaction() [1/3]

template<class ReactionThermo>

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 149 of file Reaction.C.

References lhs(), name(), rhs(), and species().

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

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◆ Reaction() [2/3]

template<class ReactionThermo>

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

Construct as copy given new speciesTable.

Definition at line 172 of file Reaction.C.

References name(), Reaction(), and species().

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◆ Reaction() [3/3]

template<class ReactionThermo>

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 315 of file Reaction.C.

References dict, dictName(), and species().

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◆ ~Reaction()

template<class ReactionThermo>

virtual ~Reaction ( )

virtualdefault

Destructor.

Member Function Documentation

◆ reactionStr()

template<class ReactionThermo>

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

staticprotected

Add string representation for given species reaction coeffs.

Definition at line 34 of file Reaction.C.

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

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◆ reactionStrLeft()

template<class ReactionThermo>

void reactionStrLeft ( OStringStream & reaction ) const

protected

Add string representation of the left of the reaction.

Definition at line 63 of file Reaction.C.

References reaction.

◆ reactionStrRight()

template<class ReactionThermo>

void reactionStrRight ( OStringStream & reaction ) const

protected

Add string representation of the right of the reaction.

Definition at line 73 of file Reaction.C.

References reaction.

◆ TypeName()

template<class ReactionThermo>

TypeName ( "Reaction< ReactionThermo >" )

Runtime type information.

◆ declareRunTimeSelectionTable()

template<class ReactionThermo>

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

◆ clone() [1/2]

template<class ReactionThermo>

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

inlinevirtual

Construct and return a clone.

Definition at line 265 of file Reaction.H.

◆ clone() [2/2]

template<class ReactionThermo>

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

inlinevirtual

Construct and return a clone with new speciesTable.

Definition at line 273 of file Reaction.H.

◆ New()

template<class ReactionThermo>

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 350 of file Reaction.C.

References dict, and species().

Referenced by Reaction< hConstSolidThermoPhysics >::clone(), Reaction< hConstSolidThermoPhysics >::clone(), and ReactionList< ThermoType >::readReactionDict().

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◆ name()

template<class ReactionThermo>

const word & name ( ) const

inlinenoexcept

Name of reaction.

Definition at line 308 of file Reaction.H.

Referenced by Reaction(), Reaction(), and ReactionList< ThermoType >::write().

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◆ species()

template<class ReactionThermo>

const speciesTable & species ( ) const

inlinenoexcept

Access to specie list.

Definition at line 313 of file Reaction.H.

Referenced by New(), Reaction(), Reaction(), Reaction(), reactionStr(), setLRhs(), solidReaction< ReactionThermo >::solidReaction(), and Reaction< ReactionThermo >::specieCoeffs::specieCoeffs().

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◆ lhs()

template<class ReactionThermo>

const List< specieCoeffs > & lhs ( ) const

inlinenoexcept

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

Definition at line 318 of file Reaction.H.

Referenced by Reaction(), and setLRhs().

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◆ rhs()

template<class ReactionThermo>

const List< specieCoeffs > & rhs ( ) const

inlinenoexcept

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

Definition at line 323 of file Reaction.H.

Referenced by Reaction(), and setLRhs().

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◆ gasSpecies()

template<class ReactionThermo>

const Foam::speciesTable & gasSpecies ( ) const

virtual

Access to gas specie list.

Reimplemented in solidReaction< ReactionThermo >, solidReaction< hConstSolidThermoPhysics >, solidReaction< hExpKappaConstSolidThermoPhysics >, and solidReaction< hPowerSolidThermoPhysics >.

Definition at line 427 of file Reaction.C.

References NotImplemented, and Foam::NullObjectRef().

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◆ grhs()

template<class ReactionThermo>

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

virtual

Access to gas components of the reaction.

Reimplemented in solidReaction< ReactionThermo >, solidReaction< hConstSolidThermoPhysics >, solidReaction< hExpKappaConstSolidThermoPhysics >, and solidReaction< hPowerSolidThermoPhysics >.

Definition at line 445 of file Reaction.C.

References NotImplemented, and List< T >::null().

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◆ glhs()

template<class ReactionThermo>

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

virtual

Reimplemented in solidReaction< ReactionThermo >, solidReaction< hConstSolidThermoPhysics >, solidReaction< hExpKappaConstSolidThermoPhysics >, and solidReaction< hPowerSolidThermoPhysics >.

Definition at line 436 of file Reaction.C.

References NotImplemented, and List< T >::null().

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◆ setLRhs()

template<class ReactionThermo>

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 240 of file Reaction.C.

References token::ADD, token::ASSIGN, UList< T >::back(), DynamicList< T, SizeMin >::clear(), Foam::endl(), Foam::exit(), Foam::FatalError, FatalErrorInFunction, IOstream::good(), token::isPunctuation(), lhs(), DynamicList< T, SizeMin >::pop_back(), DynamicList< T, SizeMin >::push_back(), rhs(), and species().

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

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◆ kf()

template<class ReactionThermo>

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

virtual

Forward rate constant.

Definition at line 390 of file Reaction.C.

◆ kr() [1/2]

template<class ReactionThermo>

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 402 of file Reaction.C.

References p, and Foam::T().

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◆ kr() [2/2]

template<class ReactionThermo>

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 415 of file Reaction.C.

References p, and Foam::T().

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◆ write()

template<class ReactionThermo>

void write ( Ostream & os ) const

virtual

Write.

Definition at line 382 of file Reaction.C.

References os(), and reaction.

Referenced by ReactionList< ThermoType >::write(), and ReversibleReaction< ReactionType, ReactionThermo, ReactionRate >::write().

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◆ operator<<

template<class ReactionThermo>

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

friend

Member Data Documentation

◆ nUnNamedReactions

template<class ReactionThermo>

Foam::label nUnNamedReactions = 0

static

Number of un-named reactions.

Definition at line 77 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 Symbol Documentation

◆ operator<<

Member Data Documentation

◆ nUnNamedReactions