/*---------------------------------------------------------------------------*\ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | Website: https://openfoam.org \\ / A nd | Copyright (C) 2023-2026 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License This file is part of OpenFOAM. OpenFOAM is free software: you can redistribute it and/or modify it 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. OpenFOAM is distributed in the hope that it will be useful, but WITHOUT 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 . \*---------------------------------------------------------------------------*/ #include "massFractions.H" #include "fluidMulticomponentThermo.H" #include "addToRunTimeSelectionTable.H" // * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * // namespace Foam { namespace functionObjects { defineTypeNameAndDebug(massFractions, 0); addToRunTimeSelectionTable(functionObject, massFractions, dictionary); } } // * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * // Foam::functionObjects::massFractions::massFractions ( const word& name, const Time& runTime, const dictionary& dict ) : fvMeshFunctionObject(name, runTime, dict), phaseName_(dict.lookupOrDefault("phase", word::null)), Y_() {} // * * * * * * * * * * * * * * * * Destructor * * * * * * * * * * * * * * * // Foam::functionObjects::massFractions::~massFractions() {} // * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * // bool Foam::functionObjects::massFractions::read(const dictionary& dict) { return true; } bool Foam::functionObjects::massFractions::execute() { // A multicomponent thermo should not exist for this context, as the // following would create a different, inconsistent definition of the // composition of an existing thermo model const word thermoName = IOobject::groupName(physicalProperties::typeName, phaseName_); if (mesh_.foundObject(thermoName)) { FatalErrorInFunction << "Cannot create mass fractions. Mass fractions already exist " << "within the multicomponent thermo model, \"" << thermoName << "\"." << exit(FatalError); } // Construct a multicomponent thermo autoPtr thermoPtr = fluidMulticomponentThermo::New(mesh_); fluidMulticomponentThermo& thermo = thermoPtr(); const PtrList& Y = thermo.Y(); // One-mole constant for conversions static const dimensionedScalar oneMole(dimensions::moles, 1); // Construct lists of specie molar mass, fields of specie mass, and a field // of total mass PtrList W(Y.size()); PtrList m(Y.size()); volScalarField mTotal ( IOobject("mTotal", time_.name(), mesh_), mesh_, dimensionedScalar(dimensions::mass, 0) ); bool fromMoleFractions = false, fromMoles = false; forAll(Y, i) { W.set(i, new dimensionedScalar(thermo.Wi(i))); typeIOobject YIo ( Y[i].name(), time_.name(), mesh_, IOobject::MUST_READ ); typeIOobject XIo ( "X_" + Y[i].name(), time_.name(), mesh_, IOobject::MUST_READ ); typeIOobject nIo ( "n_" + Y[i].name(), time_.name(), mesh_, IOobject::MUST_READ ); // Check consistency of input if (YIo.headerOk()) { FatalErrorInFunction << "Mass fraction field " << YIo.name() << " already exists on disk" << exit(FatalError); } fromMoleFractions = fromMoleFractions || XIo.headerOk(); fromMoles = fromMoles || nIo.headerOk(); if (fromMoleFractions && fromMoles) { FatalErrorInFunction << "Mole fraction fields and moles fields " << " both found on disk" << exit(FatalError); } // Sum the contributions if (XIo.headerOk()) { m.set(i, W[i]*oneMole*volScalarField(XIo, mesh_)); } if (nIo.headerOk()) { m.set(i, W[i]*volScalarField(nIo, mesh_)); } if (XIo.headerOk() || nIo.headerOk()) { mTotal += m[i]; } } // Steal the thermo's mass fraction fields and delete the thermo Y_.transfer(thermo.Y()); thermoPtr.clear(); // Divide the specie masses by the total mass to get the mass fractions forAll(Y_, i) { if (m.set(i)) { Y_[i] == m[i]/mTotal; } else { Y_.set(i, nullptr); } } return true; } bool Foam::functionObjects::massFractions::write() { forAll(Y_, i) { if (Y_.set(i)) { Y_[i].write(); } } return true; } // ************************************************************************* //