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

Collaboration diagram for Reaction:

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Data Structures
class	iNew
	Class used for the read-construction of PtrLists of reaction. More...

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, Istream,(const speciesTable &species, const HashPtrTable< ReactionThermo > &thermoDatabase, Istream &is),(species, thermoDatabase, is))

	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)
	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, Istream &is)
	Construct from Istream. More...

	Reaction (const speciesTable &species, const HashPtrTable< ReactionThermo > &thermoDatabase, const dictionary &dict)
	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 ()
	Destructor. More...

word &	name ()

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

virtual const speciesTable &	gasSpecies () 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 &) const
	Write. More...

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

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...

Private Member Functions
string	reactionStr (OStringStream &reaction) const
	Return string representation of reaction. More...

void	setThermo (const HashPtrTable< ReactionThermo > &thermoDatabase)
	Construct reaction thermo. More...

void	operator= (const Reaction< ReactionThermo > &)
	Disallow default bitwise assignment. More...

label	getNewReactionID ()
	Return new reaction ID for un-named reactions. More...

Private Attributes
const word	name_
	Name of reaction. More...

const speciesTable &	species_
	List of specie names present in reaction system. More...

List< specieCoeffs >	lhs_
	Specie info for the left-hand-side of the reaction. More...

List< specieCoeffs >	rhs_
	Specie info for the right-hand-side of the reaction. More...

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

Detailed Description

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

Source files

Definition at line 53 of file Reaction.H.

Constructor & Destructor Documentation

◆ Reaction() [1/4]

Reaction	(	const speciesTable &	species,
		const List< specieCoeffs > &	lhs,
		const List< specieCoeffs > &	rhs,
		const HashPtrTable< ReactionThermo > &	thermoDatabase
	)

Construct from components.

Definition at line 145 of file Reaction.C.

◆ Reaction() [2/4]

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

Construct as copy given new speciesTable.

◆ Reaction() [3/4]

Reaction	(	const speciesTable &	species,
		const HashPtrTable< ReactionThermo > &	thermoDatabase,
		Istream &	is
	)

Construct from Istream.

Definition at line 317 of file Reaction.C.

◆ Reaction() [4/4]

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

Construct from dictionary.

Definition at line 334 of file Reaction.C.

References dict, and dictionary::lookup().

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◆ ~Reaction()

virtual ~Reaction ( )

inlinevirtual

Destructor.

Definition at line 295 of file Reaction.H.

Member Function Documentation

◆ reactionStrLeft()

void reactionStrLeft ( OStringStream & reaction ) const

protected

Return string representation of the left of the reaction.

Definition at line 38 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 63 of file Reaction.C.

References Foam::mag(), and reaction().

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◆ reactionStr()

Foam::string reactionStr ( OStringStream & reaction ) const

private

Return string representation of reaction.

Definition at line 97 of file Reaction.C.

References reaction().

Referenced by Foam::operator<<().

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◆ setThermo()

void setThermo ( const HashPtrTable< ReactionThermo > & thermoDatabase )

private

Construct reaction thermo.

Definition at line 110 of file Reaction.C.

References forAll.

◆ operator=()

void operator= ( const Reaction< ReactionThermo > & )

private

Disallow default bitwise assignment.

◆ getNewReactionID()

Foam::label getNewReactionID ( )

private

Return new reaction ID for un-named reactions.

Definition at line 89 of file Reaction.C.

◆ TypeName()

TypeName ( "Reaction" )

Runtime type information.

◆ declareRunTimeSelectionTable() [1/2]

declareRunTimeSelectionTable	(	autoPtr	,
		Reaction	,
		Istream	,
		(const speciesTable &species, const HashPtrTable< ReactionThermo > &thermoDatabase, Istream &is)	,
		(species, thermoDatabase, is)
	)

◆ declareRunTimeSelectionTable() [2/2]

declareRunTimeSelectionTable	(	autoPtr	,
		Reaction	,
		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 254 of file Reaction.H.

◆ clone() [2/2]

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

inlinevirtual

Construct and return a clone with new speciesTable.

Definition at line 264 of file Reaction.H.

References Reaction::species().

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◆ New() [1/2]

Foam::autoPtr< Foam::Reaction< ReactionThermo > > New	(	const speciesTable &	species,
		const HashPtrTable< ReactionThermo > &	thermoDatabase,
		Istream &	is
	)

static

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

Definition at line 360 of file Reaction.C.

References IOstream::eof(), Foam::exit(), Foam::FatalIOError, FatalIOErrorInFunction, and Foam::nl.

Referenced by Reaction::iNew::operator()().

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◆ New() [2/2]

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 404 of file Reaction.C.

References dict, Foam::exit(), Foam::FatalError, FatalErrorInFunction, dictionary::lookup(), and Foam::nl.

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◆ name() [1/2]

word & name ( )

inline

Definition at line 36 of file ReactionI.H.

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

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◆ name() [2/2]

const word & name ( ) const

inline

Definition at line 43 of file ReactionI.H.

◆ lhs()

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

inline

Definition at line 51 of file ReactionI.H.

◆ rhs()

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

inline

Definition at line 59 of file ReactionI.H.

◆ grhs()

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

virtual

Definition at line 506 of file Reaction.C.

References NotImplemented.

◆ glhs()

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

virtual

Definition at line 497 of file Reaction.C.

References NotImplemented.

◆ species()

const Foam::speciesTable & species ( ) const

Definition at line 481 of file Reaction.C.

Referenced by Reaction::clone().

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◆ gasSpecies()

const Foam::speciesTable & gasSpecies ( ) const

virtual

Definition at line 488 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 234 of file Reaction.C.

References token::ADD, DynamicList::append(), token::ASSIGN, DynamicList::clear(), Foam::exit(), Foam::FatalIOError, FatalIOErrorInFunction, IOstream::good(), token::isPunctuation(), Istream::putBack(), DynamicList::remove(), and DynamicList::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 445 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 457 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 470 of file Reaction.C.

◆ write()

void write ( Ostream & os ) const

virtual

Write.

Definition at line 435 of file Reaction.C.

References token::END_STATEMENT, Foam::nl, reaction(), and Ostream::writeKeyword().

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

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Friends And Related Function Documentation

◆ operator

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

friend

Field Documentation

◆ nUnNamedReactions

Foam::label nUnNamedReactions = 0

static

Number of un-named reactions.

Definition at line 84 of file Reaction.H.

◆ name_

const word name_

private

Name of reaction.

Definition at line 131 of file Reaction.H.

◆ species_

const speciesTable& species_

private

List of specie names present in reaction system.

Definition at line 134 of file Reaction.H.

◆ lhs_

List<specieCoeffs> lhs_

private

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

Definition at line 137 of file Reaction.H.

◆ rhs_

List<specieCoeffs> rhs_

private

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

Definition at line 140 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

Data Structures

Public Member Functions

Static Public Member Functions

Static Public Attributes

Protected Member Functions

Private Member Functions

Private Attributes

Friends

Detailed Description

Constructor & Destructor Documentation

◆ Reaction() [1/4]

◆ Reaction() [2/4]

◆ Reaction() [3/4]

◆ Reaction() [4/4]

◆ ~Reaction()

Member Function Documentation

◆ reactionStrLeft()

◆ reactionStrRight()

◆ reactionStr()

◆ setThermo()

◆ operator=()

◆ getNewReactionID()

◆ TypeName()

◆ declareRunTimeSelectionTable() [1/2]

◆ declareRunTimeSelectionTable() [2/2]

◆ clone() [1/2]

◆ clone() [2/2]

◆ New() [1/2]

◆ New() [2/2]

◆ name() [1/2]

◆ name() [2/2]

◆ lhs()

◆ rhs()

◆ grhs()

◆ glhs()

◆ species()

◆ gasSpecies()

◆ setLRhs()

◆ kf()

◆ kr() [1/2]

◆ kr() [2/2]

◆ write()

Friends And Related Function Documentation

◆ operator

Field Documentation

◆ nUnNamedReactions

◆ name_

◆ species_

◆ lhs_

◆ rhs_