Simple extension of Reaction to handle reversible reactions using equilibrium thermodynamics. More...
Public Member Functions | |
TypeName ("nonEquilibriumReversible") | |
Runtime type information. More... | |
NonEquilibriumReversibleReaction (const ReactionType< ReactionThermo > &reaction, const ReactionRate &forwardReactionRate, const ReactionRate &reverseReactionRate) | |
Construct from components. More... | |
NonEquilibriumReversibleReaction (const NonEquilibriumReversibleReaction< ReactionType, ReactionThermo, ReactionRate > &, const speciesTable &species) | |
Construct as copy given new speciesTable. More... | |
NonEquilibriumReversibleReaction (const speciesTable &species, const HashPtrTable< ReactionThermo > &thermoDatabase, const dictionary &dict) | |
Construct from dictionary. More... | |
virtual autoPtr< ReactionType< ReactionThermo > > | clone () const |
Construct and return a clone. More... | |
virtual autoPtr< ReactionType< ReactionThermo > > | clone (const speciesTable &species) const |
Construct and return a clone with new speciesTable. More... | |
virtual | ~NonEquilibriumReversibleReaction () |
Destructor. 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 formard rate constant. More... | |
virtual scalar | kr (const scalar p, const scalar T, const scalarField &c) const |
Reverse rate constant. More... | |
virtual scalar | dkfdT (const scalar p, const scalar T, const scalarField &c) const |
Temperature derivative of forward rate. More... | |
virtual scalar | dkrdT (const scalar p, const scalar T, const scalarField &c, const scalar dkfdT, const scalar kr) const |
Temperature derivative of backward rate. More... | |
virtual const List< Tuple2< label, scalar > > & | beta () const |
Third-body efficiencies (beta = 1-alpha) More... | |
virtual void | dcidc (const scalar p, const scalar T, const scalarField &c, scalarField &dcidc) const |
Species concentration derivative of the pressure dependent term. More... | |
virtual scalar | dcidT (const scalar p, const scalar T, const scalarField &c) const |
Temperature derivative of the pressure dependent term. More... | |
virtual void | write (Ostream &) const |
Write. More... | |
void | operator= (const NonEquilibriumReversibleReaction< ReactionType, ReactionThermo, ReactionRate > &)=delete |
Disallow default bitwise assignment. More... | |
Simple extension of Reaction to handle reversible reactions using equilibrium thermodynamics.
Definition at line 55 of file NonEquilibriumReversibleReaction.H.
NonEquilibriumReversibleReaction | ( | const ReactionType< ReactionThermo > & | reaction, |
const ReactionRate & | forwardReactionRate, | ||
const ReactionRate & | reverseReactionRate | ||
) |
Construct from components.
Definition at line 43 of file NonEquilibriumReversibleReaction.C.
NonEquilibriumReversibleReaction | ( | const NonEquilibriumReversibleReaction< ReactionType, ReactionThermo, ReactionRate > & | nerr, |
const speciesTable & | species | ||
) |
Construct as copy given new speciesTable.
Definition at line 93 of file NonEquilibriumReversibleReaction.C.
NonEquilibriumReversibleReaction | ( | const speciesTable & | species, |
const HashPtrTable< ReactionThermo > & | thermoDatabase, | ||
const dictionary & | dict | ||
) |
Construct from dictionary.
Definition at line 68 of file NonEquilibriumReversibleReaction.C.
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inlinevirtual |
Destructor.
Definition at line 123 of file NonEquilibriumReversibleReaction.H.
References NonEquilibriumReversibleReaction< ReactionType, ReactionThermo, ReactionRate >::beta(), Foam::constant::universal::c, NonEquilibriumReversibleReaction< ReactionType, ReactionThermo, ReactionRate >::dcidc(), NonEquilibriumReversibleReaction< ReactionType, ReactionThermo, ReactionRate >::dcidT(), NonEquilibriumReversibleReaction< ReactionType, ReactionThermo, ReactionRate >::dkfdT(), NonEquilibriumReversibleReaction< ReactionType, ReactionThermo, ReactionRate >::dkrdT(), NonEquilibriumReversibleReaction< ReactionType, ReactionThermo, ReactionRate >::kf(), NonEquilibriumReversibleReaction< ReactionType, ReactionThermo, ReactionRate >::kr(), p, Foam::T(), and NonEquilibriumReversibleReaction< ReactionType, ReactionThermo, ReactionRate >::write().
TypeName | ( | "nonEquilibriumReversible" | ) |
Runtime type information.
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inlinevirtual |
Construct and return a clone.
Definition at line 98 of file NonEquilibriumReversibleReaction.H.
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inlinevirtual |
Construct and return a clone with new speciesTable.
Definition at line 109 of file NonEquilibriumReversibleReaction.H.
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virtual |
Forward rate constant.
Definition at line 124 of file NonEquilibriumReversibleReaction.C.
Referenced by NonEquilibriumReversibleReaction< ReactionType, ReactionThermo, ReactionRate >::~NonEquilibriumReversibleReaction().
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virtual |
Reverse rate constant from the given formard rate constant.
Definition at line 147 of file NonEquilibriumReversibleReaction.C.
Referenced by NonEquilibriumReversibleReaction< ReactionType, ReactionThermo, ReactionRate >::~NonEquilibriumReversibleReaction().
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Reverse rate constant.
Note this evaluates the forward rate constant and divides by the equilibrium constant
Definition at line 171 of file NonEquilibriumReversibleReaction.C.
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Temperature derivative of forward rate.
Definition at line 194 of file NonEquilibriumReversibleReaction.C.
Referenced by NonEquilibriumReversibleReaction< ReactionType, ReactionThermo, ReactionRate >::~NonEquilibriumReversibleReaction().
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virtual |
Temperature derivative of backward rate.
Definition at line 217 of file NonEquilibriumReversibleReaction.C.
Referenced by NonEquilibriumReversibleReaction< ReactionType, ReactionThermo, ReactionRate >::~NonEquilibriumReversibleReaction().
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virtual |
Third-body efficiencies (beta = 1-alpha)
non-empty only for third-body reactions with enhanced molecularity (alpha != 1)
Definition at line 241 of file NonEquilibriumReversibleReaction.C.
References NonEquilibriumReversibleReaction< ReactionType, ReactionThermo, ReactionRate >::beta().
Referenced by NonEquilibriumReversibleReaction< ReactionType, ReactionThermo, ReactionRate >::beta(), and NonEquilibriumReversibleReaction< ReactionType, ReactionThermo, ReactionRate >::~NonEquilibriumReversibleReaction().
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Species concentration derivative of the pressure dependent term.
By default this value is 1 as it multiplies the third-body term
Definition at line 259 of file NonEquilibriumReversibleReaction.C.
References NonEquilibriumReversibleReaction< ReactionType, ReactionThermo, ReactionRate >::dcidc().
Referenced by NonEquilibriumReversibleReaction< ReactionType, ReactionThermo, ReactionRate >::dcidc(), and NonEquilibriumReversibleReaction< ReactionType, ReactionThermo, ReactionRate >::~NonEquilibriumReversibleReaction().
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Temperature derivative of the pressure dependent term.
By default this value is 0 since ddT of molecularity is approx.0
Definition at line 282 of file NonEquilibriumReversibleReaction.C.
References NonEquilibriumReversibleReaction< ReactionType, ReactionThermo, ReactionRate >::dcidT(), and Foam::blockMeshTools::write().
Referenced by NonEquilibriumReversibleReaction< ReactionType, ReactionThermo, ReactionRate >::dcidT(), and NonEquilibriumReversibleReaction< ReactionType, ReactionThermo, ReactionRate >::~NonEquilibriumReversibleReaction().
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Write.
Definition at line 304 of file NonEquilibriumReversibleReaction.C.
References Foam::decrIndent(), Foam::incrIndent(), Foam::indent(), Foam::nl, Foam::blockMeshTools::write(), and Ostream::write().
Referenced by NonEquilibriumReversibleReaction< ReactionType, ReactionThermo, ReactionRate >::~NonEquilibriumReversibleReaction().
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delete |
Disallow default bitwise assignment.