NonEquilibriumReversibleReaction< ReactionType, ReactionThermo, ReactionRate > Class Template Reference

Simple extension of Reaction to handle reversible reactions using equilibrium thermodynamics. More...

Inheritance diagram for NonEquilibriumReversibleReaction< ReactionType, ReactionThermo, ReactionRate >:
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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...
 

Detailed Description

template<template< class > class ReactionType, class ReactionThermo, class ReactionRate>
class Foam::NonEquilibriumReversibleReaction< ReactionType, ReactionThermo, ReactionRate >

Simple extension of Reaction to handle reversible reactions using equilibrium thermodynamics.

Source files

Definition at line 55 of file NonEquilibriumReversibleReaction.H.

Constructor & Destructor Documentation

◆ NonEquilibriumReversibleReaction() [1/3]

NonEquilibriumReversibleReaction ( const ReactionType< ReactionThermo > &  reaction,
const ReactionRate &  forwardReactionRate,
const ReactionRate &  reverseReactionRate 
)

Construct from components.

Definition at line 43 of file NonEquilibriumReversibleReaction.C.

◆ NonEquilibriumReversibleReaction() [2/3]

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() [3/3]

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

Construct from dictionary.

Definition at line 68 of file NonEquilibriumReversibleReaction.C.

◆ ~NonEquilibriumReversibleReaction()

Member Function Documentation

◆ TypeName()

TypeName ( "nonEquilibriumReversible"  )

Runtime type information.

◆ clone() [1/2]

virtual autoPtr<ReactionType<ReactionThermo> > clone ( ) const
inlinevirtual

Construct and return a clone.

Definition at line 98 of file NonEquilibriumReversibleReaction.H.

◆ clone() [2/2]

virtual autoPtr<ReactionType<ReactionThermo> > clone ( const speciesTable species) const
inlinevirtual

Construct and return a clone with new speciesTable.

Definition at line 109 of file NonEquilibriumReversibleReaction.H.

◆ kf()

Foam::scalar kf ( const scalar  p,
const scalar  T,
const scalarField c 
) const
virtual

Forward rate constant.

Definition at line 124 of file NonEquilibriumReversibleReaction.C.

Referenced by NonEquilibriumReversibleReaction< ReactionType, ReactionThermo, ReactionRate >::~NonEquilibriumReversibleReaction().

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◆ kr() [1/2]

Foam::scalar kr ( const scalar  kfwd,
const scalar  p,
const scalar  T,
const scalarField c 
) const
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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◆ kr() [2/2]

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 171 of file NonEquilibriumReversibleReaction.C.

◆ dkfdT()

Foam::scalar dkfdT ( const scalar  p,
const scalar  T,
const scalarField c 
) const
virtual

Temperature derivative of forward rate.

Definition at line 194 of file NonEquilibriumReversibleReaction.C.

Referenced by NonEquilibriumReversibleReaction< ReactionType, ReactionThermo, ReactionRate >::~NonEquilibriumReversibleReaction().

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◆ dkrdT()

Foam::scalar dkrdT ( const scalar  p,
const scalar  T,
const scalarField c,
const scalar  dkfdT,
const scalar  kr 
) const
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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◆ beta()

const Foam::List< Foam::Tuple2< Foam::label, Foam::scalar > > & beta ( ) const
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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◆ dcidc()

void dcidc ( const scalar  p,
const scalar  T,
const scalarField c,
scalarField dcidc 
) const
virtual

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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◆ dcidT()

Foam::scalar dcidT ( const scalar  p,
const scalar  T,
const scalarField c 
) const
virtual

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()

void write ( Ostream os) const
virtual

◆ operator=()

void operator= ( const NonEquilibriumReversibleReaction< ReactionType, ReactionThermo, ReactionRate > &  )
delete

Disallow default bitwise assignment.


The documentation for this class was generated from the following files: