src/thermophysicalModels/chemistryModel/chemistrySolver/sequential/sequential.C

   1 /*---------------------------------------------------------------------------*\
   2   =========                 |
   3   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
   4    \\    /   O peration     |
   5     \\  /    A nd           | Copyright (C) 1991-2008 OpenCFD Ltd.
   6      \\/     M anipulation  |
   7 -------------------------------------------------------------------------------
   8 License
   9     This file is part of OpenFOAM.
  10
  11     OpenFOAM is free software; you can redistribute it and/or modify it
  12     under the terms of the GNU General Public License as published by the
  13     Free Software Foundation; either version 2 of the License, or (at your
  14     option) any later version.
  15
  16     OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
  17     ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
  18     FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
  19     for more details.
  20
  21     You should have received a copy of the GNU General Public License
  22     along with OpenFOAM; if not, write to the Free Software Foundation,
  23     Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
  24
  25 \*---------------------------------------------------------------------------*/
  26
  27 #include "sequential.H"
  28 #include "addToRunTimeSelectionTable.H"
  29
  30 // * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
  31
  32 namespace Foam
  33 {
  34     defineTypeNameAndDebug(sequential, 0);
  35     addToRunTimeSelectionTable
  36     (
  37         chemistrySolver,
  38         sequential,
  39         dictionary
  40     );
  41 };
  42
  43
  44 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
  45
  46 // Construct from components
  47 Foam::sequential::sequential
  48 (
  49     const Foam::dictionary& dict,
  50     Foam::chemistryModel& chemistry
  51 )
  52 :
  53     chemistrySolver(dict, chemistry),
  54     coeffsDict_(dict.subDict(typeName + "Coeffs")),
  55     cTauChem_(readScalar(coeffsDict_.lookup("cTauChem"))),
  56     equil_(coeffsDict_.lookup("equilibriumRateLimiter"))
  57 {}
  58
  59
  60 // * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
  61
  62 Foam::sequential::~sequential()
  63 {}
  64
  65
  66 // * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
  67
  68 Foam::scalar Foam::sequential::solve
  69 (
  70     scalarField &c,
  71     const scalar T,
  72     const scalar p,
  73     const scalar t0,
  74     const scalar dt
  75 ) const
  76 {
  77     scalar tChemInv = SMALL;
  78
  79     scalar pf, cf, pb, cb;
  80     label lRef, rRef;
  81
  82     for(label i=0; i<chemistry_.reactions().size(); i++)
  83     {
  84         const chemistryModel::reaction& R = chemistry_.reactions()[i];
  85
  86         scalar om0 = chemistry_.omega
  87         (
  88             R, c, T, p, pf, cf, lRef, pb, cb, rRef
  89         );
  90
  91         scalar omeg = 0.0;
  92         if (!equil_)
  93         {
  94             omeg = om0;
  95         }
  96         else
  97         {
  98             if (om0<0.0)
  99             {
 100                 omeg = om0/(1.0 + pb*dt);
 101             }
 102             else
 103             {
 104                 omeg = om0/(1.0 + pf*dt);
 105             }
 106         }
 107         tChemInv = max(tChemInv, mag(omeg));
 108
 109
 110         // update species
 111         for(label s=0; s<R.lhs().size(); s++)
 112         {
 113             label si = R.lhs()[s].index;
 114             scalar sl = R.lhs()[s].stoichCoeff;
 115             c[si] -= dt*sl*omeg;
 116             c[si] = max(0.0, c[si]);
 117         }
 118
 119         for(label s=0; s<R.rhs().size(); s++)
 120         {
 121             label si = R.rhs()[s].index;
 122             scalar sr = R.rhs()[s].stoichCoeff;
 123             c[si] += dt*sr*omeg;
 124             c[si] = max(0.0, c[si]);
 125         }
 126
 127     } // end for(label i...
 128
 129     return cTauChem_/tChemInv;
 130 }
 131
 132
 133 // ************************************************************************* //