openfoam/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/binaryNode/binaryNode.C

/*---------------------------------------------------------------------------*\
  =========                 |
  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
   \\    /   O peration     |
    \\  /    A nd           | Copyright (C) 2016-2017 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
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\*---------------------------------------------------------------------------*/

#include "binaryNode.H"

// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //

template<class CompType, class ThermoType>
Foam::binaryNode<CompType, ThermoType>::binaryNode()
:
    leafLeft_(nullptr),
    leafRight_(nullptr),
    nodeLeft_(nullptr),
    nodeRight_(nullptr),
    parent_(nullptr),
    nAdditionalEqns_(0)
{}


template<class CompType, class ThermoType>
Foam::binaryNode<CompType, ThermoType>::binaryNode
(
    chemPointISAT<CompType, ThermoType>* elementLeft,
    chemPointISAT<CompType, ThermoType>* elementRight,
    binaryNode<CompType, ThermoType>* parent
)
:
    leafLeft_(elementLeft),
    leafRight_(elementRight),
    nodeLeft_(nullptr),
    nodeRight_(nullptr),
    parent_(parent),
    v_(elementLeft->completeSpaceSize(), 0)
{
    if (elementLeft->variableTimeStep())
    {
        nAdditionalEqns_ = 3;
    }
    else
    {
        nAdditionalEqns_ = 2;
    }

    calcV(elementLeft, elementRight, v_);
    a_ = calcA(elementLeft, elementRight);
}


// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //

template<class CompType, class ThermoType>
void Foam::binaryNode<CompType, ThermoType>::calcV
(
    chemPointISAT<CompType, ThermoType>*& elementLeft,
    chemPointISAT<CompType, ThermoType>*& elementRight,
    scalarField& v
)
{
    // LT is the transpose of the L matrix
    scalarSquareMatrix& LT = elementLeft->LT();
    bool mechReductionActive = elementLeft->chemistry().mechRed()->active();

    // Difference of composition in the full species domain
    scalarField phiDif(elementRight->phi() - elementLeft->phi());
    const scalarField& scaleFactor(elementLeft->scaleFactor());
    scalar epsTol = elementLeft->tolerance();

    // v = LT.T()*LT*phiDif
    for (label i=0; i<elementLeft->completeSpaceSize(); i++)
    {
        label si = i;
        bool outOfIndexI = true;
        if (mechReductionActive)
        {
            if (i<elementLeft->completeSpaceSize() - nAdditionalEqns_)
            {
                si = elementLeft->completeToSimplifiedIndex()[i];
                outOfIndexI = (si == -1);
            }
            else // temperature and pressure
            {
                outOfIndexI = false;
                const label dif =
                    i - (elementLeft->completeSpaceSize() - nAdditionalEqns_);
                si = elementLeft->nActiveSpecies() + dif;
            }
        }
        if (!mechReductionActive || (mechReductionActive && !(outOfIndexI)))
        {
            v[i] = 0;
            for (label j=0; j<elementLeft->completeSpaceSize(); j++)
            {
                label sj = j;
                bool outOfIndexJ = true;
                if (mechReductionActive)
                {
                    if (j < elementLeft->completeSpaceSize() - nAdditionalEqns_)
                    {
                        sj = elementLeft->completeToSimplifiedIndex()[j];
                        outOfIndexJ = (sj==-1);
                    }
                    else
                    {
                        outOfIndexJ = false;
                        const label dif =
                            j
                          - (
                                elementLeft->completeSpaceSize()
                              - nAdditionalEqns_
                            );
                        sj = elementLeft->nActiveSpecies() + dif;
                    }
                }
                if
                (
                    !mechReductionActive
                  ||(mechReductionActive && !(outOfIndexJ))
                )
                {
                    // Since L is a lower triangular matrix k=0->min(i, j)
                    for (label k=0; k<=min(si, sj); k++)
                    {
                        v[i] += LT(k, si)*LT(k, sj)*phiDif[j];
                    }
                }
            }
        }
        else
        {
            // When it is an inactive species the diagonal element of LT is
            // 1/(scaleFactor*epsTol)
            v[i] = phiDif[i]/sqr(scaleFactor[i]*epsTol);
        }
    }
}


template<class CompType, class ThermoType>
Foam::scalar Foam::binaryNode<CompType, ThermoType>::calcA
(
    chemPointISAT<CompType, ThermoType>* elementLeft,
    chemPointISAT<CompType, ThermoType>* elementRight
)
{
    scalarField phih((elementLeft->phi() + elementRight->phi())/2);
    scalar a = 0;
    forAll(phih, i)
    {
        a += v_[i]*phih[i];
    }

    return a;
}


// ************************************************************************* //