standard_chemistryModel.H

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License
    This file is part of OpenFOAM.
 
    OpenFOAM is free software: you can redistribute it and/or modify it
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    the Free Software Foundation, either version 3 of the License, or
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Class
    Foam::chemistryModels::standard
 
Description
    Non-templated Base class for Foam::chemistryModels::Standard
 
    With run-time selected ODE solver and optional cellZone to limit the region
    in which the chemistry is integrated to speed-up large cases in which the
    chemistry is active in a small sub-region.
 
    Example of \c standard \c chemistryModel specification in
    constant/chemistryProperties using the \c seulex ODE solver to integrate
    the included reaction system:
    \verbatim
    type            standard;
 
    initialChemicalTimeStep 1e-7;
 
    ode
    {
        solver          seulex;
        absTol          1e-8;
        relTol          1e-1;
    }
 
    #include "reactions"
    \endverbatim
 
See also
    Foam::chemistryModel
    Foam::chemistryModels::Standard
    Foam::generatedCellZone
 
SourceFiles
    standard_chemistryModelI.H
    standard_chemistryModel.C
 
\*---------------------------------------------------------------------------*/
 
#ifndef standard_chemistryModel_H
#define standard_chemistryModel_H
 
#include "chemistryModel.H"
#include "ODESolver.H"
#include "generatedCellZone.H"
#include "OFstream.H"
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
namespace Foam
{
 
template<class ThermoType>
class chemistryReductionMethod;
 
namespace chemistryModels
{
 
/*---------------------------------------------------------------------------*\
                           Class standard Declaration
\*---------------------------------------------------------------------------*/
 
class standard
:
    public chemistryModel,
    public ODESystem
{
protected:
 
    // Protected data
 
        //- Enumeration for the type of Jacobian to be calculated by the
        //  chemistryModel
        enum class jacobianType
        {
            fast,
            exact
        };
 
        //- Jacobian type names
        static const NamedEnum<jacobianType, 2> jacobianTypeNames;
 
        //- Optional cellZone to limit where the chemistry is integrated
        generatedCellZone zone_;
 
        //- Reference to the field of specie mass fractions
        const PtrList<volScalarField>& Yvf_;
 
        //- Number of species
        label nSpecie_;
 
        //- Is chemistry reduction active
        bool reduction_;
 
        //- Temporary map from complete to simplified concentration fields
        //  c -> sc
        mutable List<label> cTos_;
 
        //- Temporary map from simplified to complete concentration fields
        //  sc -> c
        mutable DynamicList<label> sToc_;
 
        //- ODE solver
        mutable autoPtr<ODESolver> odeSolver_;
 
        // ODE solver data
        mutable scalarField cTp_;
 
 
public:
 
    template<class ThermoType>
    friend class Foam::chemistryReductionMethod;
 
    //- Runtime type information
    TypeName("standard");
 
 
    // Constructors
 
        //- Construct from thermo
        standard(const fluidMulticomponentThermo& thermo);
 
        //- Disallow default bitwise copy construction
        standard(const standard&) = delete;
 
 
    //- Destructor
    virtual ~standard();
 
 
    // Member Functions
 
        //- Create and return a TDAC log file of the given name
        inline autoPtr<OFstream> logFile(const word& name) const;
 
        //- The number of species
        inline virtual label nSpecie() const;
 
        //- Allow the reduction method to reset the number of species
        inline void setNSpecie(const label newNs);
 
        //- Number of ODE's to solve
        inline virtual label nEqns() const;
 
        //- Return a reference to the list of mass fraction fields
        inline const PtrList<volScalarField>& Y() const;
 
        //- Return true if mechanism reduction is active
        inline bool reduction() const;
 
        //- Return the index in the complete set of species
        //  corresponding to the index si in the simplified set of species
        inline label sToc(const label si) const;
 
        //- Return the index in the simplified set of species
        //  corresponding to the index si in the complete set of species
        inline label cTos(const label ci) const;
 
 
    // Member Operators
 
        //- Disallow default bitwise assignment
        void operator=(const standard&) = delete;
};
 
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
} // End namespace chemistryModels
} // End namespace Foam
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
#include "standard_chemistryModelI.H"
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
#endif
 
// ************************************************************************* //