Simple extension of ReactionThermo to handle reaction kinetics in addition to the equilibrium thermodynamics already handled. More...
#include <specie/Reaction.H>
Simple extension of ReactionThermo to handle reaction kinetics in addition to the equilibrium thermodynamics already handled.
Definition at line 65 of file Reaction.H.
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. | |
declareRunTimeSelectionTable (autoPtr, Reaction, Istream,(const speciesTable &species, const HashPtrTable< ReactionThermo > &thermoDatabase, Istream &is),(species, thermoDatabase, is)) | |
Reaction (const speciesTable &species, const List< specieCoeffs > &lhs, const List< specieCoeffs > &rhs, const HashPtrTable< ReactionThermo > &thermoDatabase) | |
Construct from components. | |
Reaction (const Reaction< ReactionThermo > &, const speciesTable &species) | |
Construct as copy given new speciesTable. | |
Reaction (const speciesTable &species, const HashPtrTable< ReactionThermo > &thermoDatabase, Istream &is) | |
Construct from Istream. | |
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 () |
const List< specieCoeffs > & | lhs () const |
const List< specieCoeffs > & | rhs () const |
virtual scalar | kf (const scalar T, const scalar p, const scalarField &c) const |
Forward rate constant. | |
virtual scalar | kr (const scalar kfwd, const scalar T, const scalar p, const scalarField &c) const |
Reverse rate constant from the given forward rate constant. | |
virtual scalar | kr (const scalar T, const scalar p, const scalarField &c) const |
Reverse rate constant. | |
virtual void | write (Ostream &) const |
Write. |
Static Public Member Functions | |
static autoPtr< Reaction < ReactionThermo > > | New (const speciesTable &species, const HashPtrTable< ReactionThermo > &thermoDatabase, Istream &) |
Return a pointer to a new patchField created on freestore from input. |
Friends | |
Ostream & | operator (Ostream &, const Reaction< ReactionThermo > &) |
Reaction | ( | const speciesTable & | species, |
const List< specieCoeffs > & | lhs, | ||
const List< specieCoeffs > & | rhs, | ||
const HashPtrTable< ReactionThermo > & | thermoDatabase | ||
) |
Construct from components.
Definition at line 72 of file Reaction.C.
Reaction | ( | const Reaction< ReactionThermo > & | r, |
const speciesTable & | species | ||
) |
Construct as copy given new speciesTable.
Definition at line 91 of file Reaction.C.
Reaction | ( | const speciesTable & | species, |
const HashPtrTable< ReactionThermo > & | thermoDatabase, | ||
Istream & | is | ||
) |
Construct from Istream.
Definition at line 197 of file Reaction.C.
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inlinevirtual |
Definition at line 243 of file Reaction.H.
TypeName | ( | "Reaction< ReactionThermo >" | ) |
Runtime type information.
declareRunTimeSelectionTable | ( | autoPtr | , |
Reaction< ReactionThermo > | , | ||
Istream | , | ||
(const speciesTable &species, const HashPtrTable< ReactionThermo > &thermoDatabase, Istream &is) | , | ||
(species, thermoDatabase, is) | |||
) |
Construct and return a clone.
Reimplemented in NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >, IrreversibleReaction< ReactionThermo, ReactionRate >, and ReversibleReaction< ReactionThermo, ReactionRate >.
Definition at line 209 of file Reaction.H.
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inlinevirtual |
Construct and return a clone with new speciesTable.
Reimplemented in NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >, IrreversibleReaction< ReactionThermo, ReactionRate >, and ReversibleReaction< ReactionThermo, ReactionRate >.
Definition at line 219 of file Reaction.H.
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static |
Return a pointer to a new patchField created on freestore from input.
Definition at line 215 of file Reaction.C.
References Foam::endl(), IOstream::eof(), Foam::exit(), Foam::FatalIOError, and FatalIOErrorIn.
Referenced by Reaction< ReactionThermo >::iNew::operator()().
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inline |
Definition at line 37 of file ReactionI.H.
Referenced by ODEChemistryModel< CompType, ThermoType >::jacobian(), ODEChemistryModel< CompType, ThermoType >::omega(), EulerImplicit< CompType, ThermoType >::solve(), and sequential< CompType, ThermoType >::solve().
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inline |
Definition at line 45 of file ReactionI.H.
Referenced by ODEChemistryModel< CompType, ThermoType >::jacobian(), ODEChemistryModel< CompType, ThermoType >::omega(), EulerImplicit< CompType, ThermoType >::solve(), sequential< CompType, ThermoType >::solve(), and ODEChemistryModel< CompType, ThermoType >::tc().
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virtual |
Forward rate constant.
Reimplemented in NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >, IrreversibleReaction< ReactionThermo, ReactionRate >, and ReversibleReaction< ReactionThermo, ReactionRate >.
Definition at line 318 of file Reaction.C.
Referenced by ODEChemistryModel< CompType, ThermoType >::jacobian(), and ODEChemistryModel< CompType, ThermoType >::omega().
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virtual |
Reverse rate constant from the given forward rate constant.
Reimplemented in NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >, and ReversibleReaction< ReactionThermo, ReactionRate >.
Definition at line 330 of file Reaction.C.
Referenced by ODEChemistryModel< CompType, ThermoType >::jacobian(), and ODEChemistryModel< CompType, ThermoType >::omega().
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virtual |
Reverse rate constant.
Note this evaluates the forward rate constant and divides by the equilibrium constant
Reimplemented in NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >, and ReversibleReaction< ReactionThermo, ReactionRate >.
Definition at line 342 of file Reaction.C.
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virtual |
Write.
Reimplemented in NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >, ReversibleReaction< ReactionThermo, ReactionRate >, and IrreversibleReaction< ReactionThermo, ReactionRate >.
Definition at line 262 of file Reaction.C.
References Foam::endl(), Reaction< ReactionThermo >::specieCoeffs::exponent, forAll, Reaction< ReactionThermo >::specieCoeffs::index, Foam::nl, Reaction< ReactionThermo >::specieCoeffs::stoichCoeff, and Foam::type().
Referenced by IrreversibleReaction< ReactionThermo, ReactionRate >::write(), ReversibleReaction< ReactionThermo, ReactionRate >::write(), and NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >::write().