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.
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.
| |
| 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.
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| virtual scalar | kr (const scalar T, const scalar p, const scalarField &c) const |
| Reverse rate constant.
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| virtual void | write (Ostream &) const |
| Write.
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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.
| virtual ~Reaction | ( | ) | [inline, virtual]
|
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 IrreversibleReaction< ReactionThermo, ReactionRate >, NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >, and ReversibleReaction< ReactionThermo, ReactionRate >.
Definition at line 209 of file Reaction.H.
| virtual autoPtr<Reaction<ReactionThermo> > clone | ( | const speciesTable & | species ) | const [inline, virtual]
|
Construct and return a clone with new speciesTable.
Reimplemented in IrreversibleReaction< ReactionThermo, ReactionRate >, NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >, and ReversibleReaction< ReactionThermo, ReactionRate >.
Definition at line 219 of file Reaction.H.
| autoPtr< Reaction< ReactionThermo > > New | ( | const speciesTable & | species, |
| const HashPtrTable< ReactionThermo > & | thermoDatabase, | ||
| Istream & | is | ||
| ) | [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()().
| const List< typename Reaction< ReactionThermo >::specieCoeffs > & lhs | ( | ) | const [inline]
|
Definition at line 37 of file ReactionI.H.
Referenced by ODEChemistryModel< CompType, ThermoType >::jacobian(), ODEChemistryModel< CompType, ThermoType >::omega(), sequential< CompType, ThermoType >::solve(), and EulerImplicit< CompType, ThermoType >::solve().
| const List< typename Reaction< ReactionThermo >::specieCoeffs > & rhs | ( | ) | const [inline]
|
Definition at line 45 of file ReactionI.H.
Referenced by ODEChemistryModel< CompType, ThermoType >::jacobian(), ODEChemistryModel< CompType, ThermoType >::omega(), sequential< CompType, ThermoType >::solve(), EulerImplicit< CompType, ThermoType >::solve(), and ODEChemistryModel< CompType, ThermoType >::tc().
| scalar kf | ( | const scalar | T, |
| const scalar | p, | ||
| const scalarField & | c | ||
| ) | const [virtual]
|
Forward rate constant.
Reimplemented in IrreversibleReaction< ReactionThermo, ReactionRate >, NonEquilibriumReversibleReaction< 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().
| scalar kr | ( | const scalar | kfwd, |
| const scalar | T, | ||
| const scalar | p, | ||
| const scalarField & | c | ||
| ) | const [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().
| scalar kr | ( | const scalar | T, |
| const scalar | p, | ||
| const scalarField & | c | ||
| ) | const [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.
| void write | ( | Ostream & | os ) | const [virtual]
|
Write.
Reimplemented in IrreversibleReaction< ReactionThermo, ReactionRate >, NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >, and ReversibleReaction< 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 ReversibleReaction< ReactionThermo, ReactionRate >::write(), NonEquilibriumReversibleReaction< ReactionThermo, ReactionRate >::write(), and IrreversibleReaction< ReactionThermo, ReactionRate >::write().
