NonEquilibriumReversibleReaction< ThermoType, ReactionRate > Class Template Reference

Extension of Reaction to handle non-equilibrium reversible reactions. More...

Inheritance diagram for NonEquilibriumReversibleReaction< ThermoType, ReactionRate >:
Collaboration diagram for NonEquilibriumReversibleReaction< ThermoType, ReactionRate >:

Public Member Functions

 TypeName ("nonEquilibriumReversible")
 Runtime type information. More...
 
 NonEquilibriumReversibleReaction (const Reaction< ThermoType > &reaction, const ReactionRate &forwardReactionRate, const ReactionRate &reverseReactionRate)
 Construct from components. More...
 
 NonEquilibriumReversibleReaction (const NonEquilibriumReversibleReaction< ThermoType, ReactionRate > &, const speciesTable &species)
 Construct as copy given new speciesTable. More...
 
 NonEquilibriumReversibleReaction (const speciesTable &species, const PtrList< ThermoType > &speciesThermo, const dictionary &dict)
 Construct from dictionary. More...
 
 NonEquilibriumReversibleReaction (const speciesTable &species, const PtrList< ThermoType > &speciesThermo, const objectRegistry &ob, const dictionary &dict)
 Construct from objectRegistry and dictionary. More...
 
virtual autoPtr< Reaction< ThermoType > > clone () const
 Construct and return a clone. More...
 
virtual autoPtr< Reaction< ThermoType > > clone (const speciesTable &species) const
 Construct and return a clone with new speciesTable. More...
 
virtual ~NonEquilibriumReversibleReaction ()
 Destructor. More...
 
virtual void preEvaluate () const
 Pre-evaluation hook. More...
 
virtual void postEvaluate () const
 Post-evaluation hook. More...
 
virtual scalar kf (const scalar p, const scalar T, const scalarField &c, const label li) const
 Forward rate constant. More...
 
virtual scalar kr (const scalar kfwd, const scalar p, const scalar T, const scalarField &c, const label li) const
 Reverse rate constant from the given forward rate constant. More...
 
virtual scalar kr (const scalar p, const scalar T, const scalarField &c, const label li) const
 Reverse rate constant. More...
 
virtual scalar dkfdT (const scalar p, const scalar T, const scalarField &c, const label li) const
 Temperature derivative of forward rate. More...
 
virtual scalar dkrdT (const scalar p, const scalar T, const scalarField &c, const label li, const scalar dkfdT, const scalar kr) const
 Temperature derivative of backward rate. More...
 
virtual bool hasDkdc () const
 Does this reaction have concentration-dependent rate constants? More...
 
void dkfdc (const scalar p, const scalar T, const scalarField &c, const label li, scalarField &dkfdc) const
 Concentration derivative of forward rate. More...
 
void dkrdc (const scalar p, const scalar T, const scalarField &c, const label li, const scalarField &dkfdc, const scalar kr, scalarField &dkrdc) const
 Concentration derivative of reverse rate. More...
 
virtual void write (Ostream &) const
 Write. More...
 
void operator= (const NonEquilibriumReversibleReaction< ThermoType, ReactionRate > &)=delete
 Disallow default bitwise assignment. More...
 
- Public Member Functions inherited from Reaction< ThermoType >
 TypeName ("Reaction")
 Runtime type information. More...
 
 declareRunTimeSelectionTable (autoPtr, Reaction, dictionary,(const speciesTable &species, const PtrList< ThermoType > &speciesThermo, const dictionary &dict),(species, speciesThermo, dict))
 
 declareRunTimeSelectionTable (autoPtr, Reaction, objectRegistry,(const speciesTable &species, const PtrList< ThermoType > &speciesThermo, const objectRegistry &ob, const dictionary &dict),(species, speciesThermo, ob, dict))
 
 Reaction (const speciesTable &species, const PtrList< ThermoType > &speciesThermo, const List< specieCoeffs > &lhs, const List< specieCoeffs > &rhs)
 Construct from components. More...
 
 Reaction (const Reaction< ThermoType > &, const speciesTable &species)
 Construct as copy given new speciesTable. More...
 
 Reaction (const speciesTable &species, const PtrList< ThermoType > &speciesThermo, const dictionary &dict)
 Construct from dictionary. More...
 
virtual ~Reaction ()
 Destructor. More...
 
scalar Tlow () const
 Return the lower temperature limit for the reaction. More...
 
scalar Thigh () const
 Return the upper temperature limit for the reaction. More...
 
dimensionSet kfDims () const
 Dimensions of the forward rate. More...
 
dimensionSet krDims () const
 Dimensions of the reverse rate. More...
 
void C (const scalar p, const scalar T, const scalarField &c, const label li, scalar &Cf, scalar &Cr) const
 Concentration powers. More...
 
scalar omega (const scalar p, const scalar T, const scalarField &c, const label li, scalar &omegaf, scalar &omegar) const
 Net reaction rate. More...
 
void dNdtByV (const scalar p, const scalar T, const scalarField &c, const label li, scalarField &dNdtByV, const bool reduced, const List< label > &c2s, const label Nsi0) const
 The net reaction rate for each species involved. More...
 
void ddNdtByVdcTp (const scalar p, const scalar T, const scalarField &c, const label li, scalarField &dNdtByV, scalarSquareMatrix &ddNdtByVdcTp, const bool reduced, const List< label > &c2s, const label csi0, const label Tsi, scalarField &cTpWork0, scalarField &cTpWork1) const
 Derivative of the net reaction rate for each species involved. More...
 
void operator= (const Reaction< ThermoType > &)=delete
 Disallow default bitwise assignment. More...
 
const wordname () const
 Return the name of the reaction. More...
 
- Public Member Functions inherited from reaction
 reaction (const speciesTable &species, const List< specieCoeffs > &lhs, const List< specieCoeffs > &rhs)
 Construct from components. More...
 
 reaction (const reaction &, const speciesTable &species)
 Construct as copy given new speciesTable. More...
 
 reaction (const speciesTable &species, const dictionary &dict)
 Construct from dictionary. More...
 
 ~reaction ()
 Destructor. More...
 
const wordname () const
 Return the name of the reaction. More...
 
const List< specieCoeffs > & lhs () const
 Return the components of the left hand side. More...
 
const List< specieCoeffs > & rhs () const
 Return the components of the right hand side. More...
 
const speciesTablespecies () const
 Return the specie list. More...
 
void write (Ostream &) const
 Write. More...
 
void operator= (const reaction &)=delete
 Disallow default bitwise assignment. More...
 

Additional Inherited Members

- Static Public Member Functions inherited from Reaction< ThermoType >
static autoPtr< Reaction< ThermoType > > New (const speciesTable &species, const PtrList< ThermoType > &speciesThermo, const dictionary &dict)
 Return a pointer to new reaction created from a dictionary. More...
 
static autoPtr< Reaction< ThermoType > > New (const speciesTable &species, const PtrList< ThermoType > &speciesThermo, const objectRegistry &ob, const dictionary &dict)
 Return a pointer to new reaction created from an objectRegistry and. More...
 
- Static Public Attributes inherited from Reaction< ThermoType >
static scalar TlowDefault
 Default temperature limits of applicability of reaction rates. More...
 
static scalar ThighDefault
 
- Static Public Attributes inherited from reaction
static label nUnNamedReactions
 Number of un-named reactions. More...
 

Detailed Description

template<class ThermoType, class ReactionRate>
class Foam::NonEquilibriumReversibleReaction< ThermoType, ReactionRate >

Extension of Reaction to handle non-equilibrium reversible reactions.

Source files

Definition at line 49 of file NonEquilibriumReversibleReaction.H.

Constructor & Destructor Documentation

◆ NonEquilibriumReversibleReaction() [1/4]

NonEquilibriumReversibleReaction ( const Reaction< ThermoType > &  reaction,
const ReactionRate &  forwardReactionRate,
const ReactionRate &  reverseReactionRate 
)

Construct from components.

Definition at line 31 of file NonEquilibriumReversibleReaction.C.

◆ NonEquilibriumReversibleReaction() [2/4]

NonEquilibriumReversibleReaction ( const NonEquilibriumReversibleReaction< ThermoType, ReactionRate > &  nerr,
const speciesTable species 
)

Construct as copy given new speciesTable.

Definition at line 77 of file NonEquilibriumReversibleReaction.C.

◆ NonEquilibriumReversibleReaction() [3/4]

NonEquilibriumReversibleReaction ( const speciesTable species,
const PtrList< ThermoType > &  speciesThermo,
const dictionary dict 
)

Construct from dictionary.

Definition at line 46 of file NonEquilibriumReversibleReaction.C.

◆ NonEquilibriumReversibleReaction() [4/4]

NonEquilibriumReversibleReaction ( const speciesTable species,
const PtrList< ThermoType > &  speciesThermo,
const objectRegistry ob,
const dictionary dict 
)

Construct from objectRegistry and dictionary.

Definition at line 61 of file NonEquilibriumReversibleReaction.C.

◆ ~NonEquilibriumReversibleReaction()

virtual ~NonEquilibriumReversibleReaction ( )
inlinevirtual

Destructor.

Definition at line 138 of file NonEquilibriumReversibleReaction.H.

Member Function Documentation

◆ TypeName()

TypeName ( "nonEquilibriumReversible"  )

Runtime type information.

◆ clone() [1/2]

virtual autoPtr<Reaction<ThermoType> > clone ( ) const
inlinevirtual

Construct and return a clone.

Implements Reaction< ThermoType >.

Definition at line 104 of file NonEquilibriumReversibleReaction.H.

◆ clone() [2/2]

virtual autoPtr<Reaction<ThermoType> > clone ( const speciesTable species) const
inlinevirtual

Construct and return a clone with new speciesTable.

Implements Reaction< ThermoType >.

Definition at line 117 of file NonEquilibriumReversibleReaction.H.

References reaction::species().

Here is the call graph for this function:

◆ preEvaluate()

void preEvaluate
virtual

Pre-evaluation hook.

Implements Reaction< ThermoType >.

Definition at line 94 of file NonEquilibriumReversibleReaction.C.

◆ postEvaluate()

void postEvaluate
virtual

Post-evaluation hook.

Implements Reaction< ThermoType >.

Definition at line 103 of file NonEquilibriumReversibleReaction.C.

◆ kf()

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

Forward rate constant.

Implements Reaction< ThermoType >.

Definition at line 113 of file NonEquilibriumReversibleReaction.C.

References Foam::constant::universal::c, p, and Foam::T().

Here is the call graph for this function:

◆ kr() [1/2]

Foam::scalar kr ( const scalar  kfwd,
const scalar  p,
const scalar  T,
const scalarField c,
const label  li 
) const
virtual

Reverse rate constant from the given forward rate constant.

Implements Reaction< ThermoType >.

Definition at line 127 of file NonEquilibriumReversibleReaction.C.

References Foam::constant::universal::c, p, and Foam::T().

Here is the call graph for this function:

◆ kr() [2/2]

Foam::scalar kr ( const scalar  p,
const scalar  T,
const scalarField c,
const label  li 
) const
virtual

Reverse rate constant.

Note this evaluates the forward rate constant and divides by the equilibrium constant

Implements Reaction< ThermoType >.

Definition at line 142 of file NonEquilibriumReversibleReaction.C.

References Foam::constant::universal::c, p, and Foam::T().

Here is the call graph for this function:

◆ dkfdT()

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

Temperature derivative of forward rate.

Implements Reaction< ThermoType >.

Definition at line 156 of file NonEquilibriumReversibleReaction.C.

References Foam::constant::universal::c, p, and Foam::T().

Here is the call graph for this function:

◆ dkrdT()

Foam::scalar dkrdT ( const scalar  p,
const scalar  T,
const scalarField c,
const label  li,
const scalar  dkfdT,
const scalar  kr 
) const
virtual

Temperature derivative of backward rate.

Implements Reaction< ThermoType >.

Definition at line 170 of file NonEquilibriumReversibleReaction.C.

References Foam::constant::universal::c, p, and Foam::T().

Here is the call graph for this function:

◆ hasDkdc()

bool hasDkdc
virtual

Does this reaction have concentration-dependent rate constants?

Implements Reaction< ThermoType >.

Definition at line 185 of file NonEquilibriumReversibleReaction.C.

◆ dkfdc()

void dkfdc ( const scalar  p,
const scalar  T,
const scalarField c,
const label  li,
scalarField dkfdc 
) const
virtual

Concentration derivative of forward rate.

Implements Reaction< ThermoType >.

Definition at line 193 of file NonEquilibriumReversibleReaction.C.

References Foam::constant::universal::c, p, and Foam::T().

Here is the call graph for this function:

◆ dkrdc()

void dkrdc ( const scalar  p,
const scalar  T,
const scalarField c,
const label  li,
const scalarField dkfdc,
const scalar  kr,
scalarField dkrdc 
) const
virtual

Concentration derivative of reverse rate.

Implements Reaction< ThermoType >.

Definition at line 207 of file NonEquilibriumReversibleReaction.C.

References Foam::constant::universal::c, p, and Foam::T().

Here is the call graph for this function:

◆ write()

void write ( Ostream os) const
virtual

Write.

Reimplemented from Reaction< ThermoType >.

Definition at line 223 of file NonEquilibriumReversibleReaction.C.

References token::BEGIN_BLOCK, Foam::decrIndent(), token::END_BLOCK, Foam::incrIndent(), Foam::indent(), Foam::nl, Ostream::write(), and Reaction< ThermoType >::write().

Here is the call graph for this function:

◆ operator=()

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

Disallow default bitwise assignment.


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