specieReactionRates.C

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/*---------------------------------------------------------------------------*\
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    \\  /    A nd           | Copyright (C) 2016-2025 OpenFOAM Foundation
     \\/     M anipulation  |
-------------------------------------------------------------------------------
License
    This file is part of OpenFOAM.
 
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    under the terms of the GNU General Public License as published by
    the Free Software Foundation, either version 3 of the License, or
    (at your option) any later version.
 
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    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
    for more details.
 
    You should have received a copy of the GNU General Public License
    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
 
\*---------------------------------------------------------------------------*/
 
#include "specieReactionRates.H"
#include "fvcVolumeIntegrate.H"
#include "polyTopoChangeMap.H"
#include "polyMeshMap.H"
#include "polyDistributionMap.H"
#include "addToRunTimeSelectionTable.H"
 
// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
 
namespace Foam
{
namespace functionObjects
{
    defineTypeNameAndDebug(specieReactionRates, 0);
 
    addToRunTimeSelectionTable
    (
        functionObject,
        specieReactionRates,
        dictionary
    );
}
}
 
 
// * * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * //
 
void Foam::functionObjects::specieReactionRates::writeFileHeader(const label i)
{
    writeHeader(file(), "Specie reaction rates");
 
    zone_.writeFileHeader(*this, file());
 
    writeHeaderValue(file(), "nSpecie", chemistryModel_.nSpecie());
    writeHeaderValue(file(), "nReaction", chemistryModel_.nReaction());
 
    writeCommented(file(), "Time");
    writeTabbed(file(), "Reaction");
 
    const wordList& speciesNames =
        chemistryModel_.thermo().species();
 
    forAll (speciesNames, si)
    {
        writeTabbed(file(), speciesNames[si]);
    }
 
    file() << endl;
}
 
 
// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
 
Foam::functionObjects::specieReactionRates::specieReactionRates
(
    const word& name,
    const Time& runTime,
    const dictionary& dict
)
:
    fvMeshFunctionObject(name, runTime, dict),
    logFiles(obr_, name),
    zone_(fvMeshFunctionObject::mesh_, dict),
    phaseName_(dict.lookupOrDefault<word>("phase", word::null)),
    chemistryModel_
    (
        fvMeshFunctionObject::mesh_.lookupObject<basicChemistryModel>
        (
            IOobject::groupName("chemistryProperties", phaseName_)
        )
    ),
    writeFields_(false)
{
    read(dict);
}
 
 
// * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
 
Foam::functionObjects::specieReactionRates::~specieReactionRates()
{}
 
 
// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
 
bool Foam::functionObjects::specieReactionRates::read(const dictionary& dict)
{
    fvMeshFunctionObject::read(dict);
 
    writeFields_ = dict.lookupOrDefault<bool>("writeFields", false);
 
    resetName("specieReactionRates");
 
    return true;
}
 
 
bool Foam::functionObjects::specieReactionRates::execute()
{
    return true;
}
 
 
bool Foam::functionObjects::specieReactionRates::write()
{
    logFiles::write();
 
    const label nSpecie = chemistryModel_.nSpecie();
    const label nReaction = chemistryModel_.nReaction();
 
    // Region volume
    const scalar V = zone_.V();
 
    for (label reactioni=0; reactioni<nReaction; reactioni++)
    {
        if (Pstream::master())
        {
            writeTime(file());
            file() << token::TAB << reactioni;
        }
 
        const PtrList<volScalarField::Internal> RR
        (
            chemistryModel_.specieReactionRR(reactioni)
        );
 
        // Compute the average rates and write them into the log file
        for (label speciei=0; speciei<nSpecie; speciei++)
        {
            scalar sumVRRi = 0;
 
            if (zone_.all())
            {
                sumVRRi = fvc::domainIntegrate(RR[speciei]).value();
            }
            else
            {
                sumVRRi =
                    gSum
                    (
                        scalarField
                        (
                            fvMeshFunctionObject::mesh_.V()*RR[speciei],
                            zone_.zone()
                        )
                    );
            }
 
            if (Pstream::master())
            {
                file() << token::TAB << sumVRRi/V;
            }
        }
 
        if (Pstream::master())
        {
            file() << nl;
        }
 
        // Write the rate fields, if necessary
        if (writeFields_)
        {
            for (label speciei=0; speciei<nSpecie; speciei++)
            {
                RR[speciei].write();
            }
        }
    }
 
    if (Pstream::master())
    {
        file() << endl;
    }
 
    return true;
}
 
 
void Foam::functionObjects::specieReactionRates::movePoints
(
    const polyMesh& mesh
)
{
    if (&mesh == &this->mesh())
    {
        zone_.movePoints();
    }
}
 
 
void Foam::functionObjects::specieReactionRates::topoChange
(
    const polyTopoChangeMap& map
)
{
    if (&map.mesh() == &mesh())
    {
        zone_.topoChange(map);
    }
}
 
 
void Foam::functionObjects::specieReactionRates::mapMesh
(
    const polyMeshMap& map
)
{
    if (&map.mesh() == &mesh())
    {
        zone_.mapMesh(map);
    }
}
 
 
void Foam::functionObjects::specieReactionRates::distribute
(
    const polyDistributionMap& map
)
{
    if (&map.mesh() == &mesh())
    {
        zone_.distribute(map);
    }
}
 
 
// ************************************************************************* //