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
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...

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	(	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.

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

Here is the caller graph for this function:

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

Construct as copy given new speciesTable.

Definition at line 164 of file Reaction.C.

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

Here is the call graph for this function:

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

Construct from Istream.

Definition at line 317 of file Reaction.C.

References Reaction< ReactionThermo >::Reaction().

Here is the call graph for this function:

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

Construct from dictionary.

Definition at line 334 of file Reaction.C.

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

Here is the call graph for this function:

virtual ~Reaction ( )

inlinevirtual

Destructor.

Definition at line 295 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().

Here is the call graph for this function:

Member Function Documentation

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().

Here is the call graph for this function:

void reactionStrRight ( OStringStream &  reaction ) const

protected

Return string representation of the right of the reaction.

Definition at line 63 of file Reaction.C.

References forAll, Foam::mag(), Reaction< ReactionThermo >::Reaction(), and OStringStream::str().

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

Here is the call graph for this function:

Here is the caller graph for this function:

TypeName

(

"Reaction< ReactionThermo >"

)

Runtime type information.

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

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

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

inlinevirtual

Construct and return a clone.

Reimplemented in solidReaction< ReactionThermo >.

Definition at line 254 of file Reaction.H.

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 264 of file Reaction.H.

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

Here is the call graph for this function:

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< ReactionThermo >::clone(), Reaction< ReactionThermo >::iNew::operator()(), and Reaction< ReactionThermo >::Reaction().

Here is the call graph for this function:

Here is the caller graph for this function:

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.

Here is the call graph for this function:

word & name ( )

inline

Definition at line 36 of file ReactionI.H.

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

Here is the caller graph for this function:

const word & name ( ) const

inline

Definition at line 43 of file ReactionI.H.

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(), chemistryModel< CompType, ThermoType >::jacobian(), pyrolysisChemistryModel< CompType, SolidThermo, GasThermo >::omega(), chemistryModel< CompType, ThermoType >::omega(), Reaction< ReactionThermo >::iNew::operator()(), EulerImplicit< ChemistryModel >::updateRRInReactionI(), and Reaction< ReactionThermo >::~Reaction().

Here is the caller graph for this function:

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(), chemistryModel< CompType, ThermoType >::jacobian(), mixtureFractionSoot< ThermoType >::mixtureFractionSoot(), pyrolysisChemistryModel< CompType, SolidThermo, GasThermo >::omega(), chemistryModel< CompType, ThermoType >::omega(), Reaction< ReactionThermo >::iNew::operator()(), chemistryModel< CompType, ThermoType >::tc(), EulerImplicit< ChemistryModel >::updateRRInReactionI(), and Reaction< ReactionThermo >::~Reaction().

Here is the caller graph for this function:

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

virtual

Reimplemented in solidReaction< ReactionThermo >.

Definition at line 506 of file Reaction.C.

References NotImplemented.

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

Here is the caller graph for this function:

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

virtual

Reimplemented in solidReaction< ReactionThermo >.

Definition at line 497 of file Reaction.C.

References NotImplemented.

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

Here is the caller graph for this function:

const Foam::speciesTable & species

(

)

const

Definition at line 481 of file Reaction.C.

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

Here is the caller graph for this function:

const Foam::speciesTable & gasSpecies ( ) const

virtual

Reimplemented in solidReaction< ReactionThermo >.

Definition at line 488 of file Reaction.C.

References NotImplemented.

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

Here is the caller graph for this function:

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 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().

Here is the call graph for this function:

Here is the caller graph for this function:

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.

References Reaction< ReactionThermo >::kr().

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

Here is the call graph for this function:

Here is the caller graph for this function:

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.

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

Here is the caller graph for this function:

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.

void write ( Ostream &  os ) const

virtual

Write.

Reimplemented in solidReaction< ReactionThermo >.

Definition at line 435 of file Reaction.C.

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

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

Here is the call graph for this function:

Here is the caller graph for this function:

Friends And Related Function Documentation

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

friend

Member Data Documentation

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