Reaction< ReactionThermo > Class Template Reference

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

Inheritance diagram for Reaction< ReactionThermo >:

Collaboration diagram for Reaction< ReactionThermo >:

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)
	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)
	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
	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

• Reaction.H
• ReactionI.H
• Reaction.C

Definition at line 53 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
	)

Construct from components.

Definition at line 153 of file Reaction.C.

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

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Reaction() [2/3]

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

Construct as copy given new speciesTable.

Definition at line 172 of file Reaction.C.

References Reaction< ReactionThermo >::specieCoeffs::specieCoeffs().

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Reaction() [3/3]

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

Construct from dictionary.

Definition at line 325 of file Reaction.C.

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

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~Reaction()

virtual ~Reaction ( )

inlinevirtual

Destructor.

Definition at line 236 of file Reaction.H.

References Foam::constant::universal::c, Reaction< ReactionThermo >::gasSpecies(), Reaction< ReactionThermo >::glhs(), Reaction< ReactionThermo >::grhs(), Reaction< ReactionThermo >::kf(), Reaction< ReactionThermo >::kr(), Reaction< ReactionThermo >::lhs(), Reaction< ReactionThermo >::name(), p, Reaction< ReactionThermo >::rhs(), Reaction< ReactionThermo >::setLRhs(), Reaction< ReactionThermo >::species(), Foam::T(), and Reaction< ReactionThermo >::write().

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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< ReactionThermo >::reactionStrRight().

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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(), Reaction< ReactionThermo >::Reaction(), and OStringStream::str().

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

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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.

Reimplemented in solidReaction< ReactionThermo >.

Definition at line 203 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.

Reimplemented in solidReaction< ReactionThermo >.

Definition at line 213 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 351 of file Reaction.C.

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

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

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name() [1/2]

word & name ( )

inline

Definition at line 36 of file ReactionI.H.

Referenced by ReactionList< Foam::sutherlandTransport >::write(), and Reaction< ReactionThermo >::~Reaction().

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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.

Referenced by singleStepReactingMixture< ThermoType >::calculateqFuel(), singleStepReactingMixture< ThermoType >::fresCorrect(), pyrolysisChemistryModel< CompType, SolidThermo, GasThermo >::jacobian(), TDACChemistryModel< CompType, ThermoType >::jacobian(), chemistryModel< CompType, ThermoType >::jacobian(), pyrolysisChemistryModel< CompType, SolidThermo, GasThermo >::omega(), chemistryModel< CompType, ThermoType >::omega(), TDACChemistryModel< CompType, ThermoType >::omega(), EFA< CompType, ThermoType >::reduceMechanism(), PFA< CompType, ThermoType >::reduceMechanism(), DRG< CompType, ThermoType >::reduceMechanism(), DAC< CompType, ThermoType >::reduceMechanism(), DRGEP< CompType, ThermoType >::reduceMechanism(), EulerImplicit< ChemistryModel >::updateRRInReactionI(), and Reaction< ReactionThermo >::~Reaction().

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rhs()

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

inline

Definition at line 59 of file ReactionI.H.

Referenced by singleStepReactingMixture< ThermoType >::calculateMaxProducts(), singleStepReactingMixture< ThermoType >::calculateqFuel(), singleStepReactingMixture< ThermoType >::fresCorrect(), pyrolysisChemistryModel< CompType, SolidThermo, GasThermo >::jacobian(), TDACChemistryModel< CompType, ThermoType >::jacobian(), chemistryModel< CompType, ThermoType >::jacobian(), mixtureFractionSoot< ThermoType >::mixtureFractionSoot(), pyrolysisChemistryModel< CompType, SolidThermo, GasThermo >::omega(), chemistryModel< CompType, ThermoType >::omega(), TDACChemistryModel< CompType, ThermoType >::omega(), EFA< CompType, ThermoType >::reduceMechanism(), PFA< CompType, ThermoType >::reduceMechanism(), DRG< CompType, ThermoType >::reduceMechanism(), DAC< CompType, ThermoType >::reduceMechanism(), DRGEP< CompType, ThermoType >::reduceMechanism(), chemistryModel< CompType, ThermoType >::tc(), EulerImplicit< ChemistryModel >::updateRRInReactionI(), and Reaction< ReactionThermo >::~Reaction().

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grhs()

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

virtual

Reimplemented in solidReaction< ReactionThermo >.

Definition at line 453 of file Reaction.C.

References NotImplemented.

Referenced by pyrolysisChemistryModel< CompType, SolidThermo, GasThermo >::omega(), and Reaction< ReactionThermo >::~Reaction().

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glhs()

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

virtual

Reimplemented in solidReaction< ReactionThermo >.

Definition at line 444 of file Reaction.C.

References NotImplemented.

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

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species()

const Foam::speciesTable & species

(

)

const

Access to specie list.

Definition at line 428 of file Reaction.C.

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

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gasSpecies()

const Foam::speciesTable & gasSpecies ( ) const

virtual

Access to gas specie list.

Reimplemented in solidReaction< ReactionThermo >.

Definition at line 435 of file Reaction.C.

References NotImplemented.

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

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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 242 of file Reaction.C.

References DynamicList< T, SizeInc, SizeMult, SizeDiv >::append(), DynamicList< T, SizeInc, SizeMult, SizeDiv >::clear(), UList< T >::empty(), Foam::exit(), Foam::FatalIOError, FatalIOErrorInFunction, IOstream::good(), token::isPunctuation(), UList< T >::last(), Istream::putBack(), Reaction< ReactionThermo >::Reaction(), DynamicList< T, SizeInc, SizeMult, SizeDiv >::remove(), and DynamicList< T, SizeInc, SizeMult, SizeDiv >::shrink().

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

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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 392 of file Reaction.C.

References Reaction< ReactionThermo >::kr().

Referenced by pyrolysisChemistryModel< CompType, SolidThermo, GasThermo >::jacobian(), TDACChemistryModel< CompType, ThermoType >::jacobian(), chemistryModel< CompType, ThermoType >::jacobian(), pyrolysisChemistryModel< CompType, SolidThermo, GasThermo >::omega(), chemistryModel< CompType, ThermoType >::omega(), TDACChemistryModel< CompType, ThermoType >::omega(), Reaction< ReactionThermo >::write(), and Reaction< ReactionThermo >::~Reaction().

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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 404 of file Reaction.C.

Referenced by TDACChemistryModel< CompType, ThermoType >::jacobian(), chemistryModel< CompType, ThermoType >::jacobian(), Reaction< ReactionThermo >::kf(), chemistryModel< CompType, ThermoType >::omega(), TDACChemistryModel< CompType, ThermoType >::omega(), and Reaction< ReactionThermo >::~Reaction().

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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 417 of file Reaction.C.

write()

void write ( Ostream &  os ) const

virtual

Write.

Reimplemented in solidReaction< ReactionThermo >.

Definition at line 382 of file Reaction.C.

References Reaction< ReactionThermo >::kf(), Foam::nl, reaction(), and Ostream::writeKeyword().

Referenced by ReactionList< Foam::sutherlandTransport >::write(), and Reaction< ReactionThermo >::~Reaction().

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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 84 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