Simple extension of ReactionThermo to handle reaction kinetics in addition to the equilibrium thermodynamics already handled. More...
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 > &) |
Simple extension of ReactionThermo to handle reaction kinetics in addition to the equilibrium thermodynamics already handled.
Definition at line 53 of file Reaction.H.
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().
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().
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().
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().
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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().
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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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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().
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) | |||
) |
Construct and return a clone.
Reimplemented in solidReaction< ReactionThermo >.
Definition at line 254 of file Reaction.H.
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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().
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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().
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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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inline |
Definition at line 36 of file ReactionI.H.
Referenced by ReactionList< ThermoType >::write(), and Reaction< ReactionThermo >::~Reaction().
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inline |
Definition at line 43 of file ReactionI.H.
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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().
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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().
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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().
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virtual |
Reimplemented in solidReaction< ReactionThermo >.
Definition at line 497 of file Reaction.C.
References NotImplemented.
Referenced by Reaction< ReactionThermo >::~Reaction().
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().
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virtual |
Reimplemented in solidReaction< ReactionThermo >.
Definition at line 488 of file Reaction.C.
References NotImplemented.
Referenced by Reaction< ReactionThermo >::~Reaction().
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().
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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().
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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().
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Reverse rate constant.
Note this evaluates the forward rate constant and divides by the equilibrium constant
Definition at line 470 of file Reaction.C.
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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().
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static |
Number of un-named reactions.
Definition at line 84 of file Reaction.H.