applications/utilities/thermophysical/equilibriumCO/equilibriumCO.C

   1 /*---------------------------------------------------------------------------*\
   2   =========                 |
   3   \\      /  F ield         | foam-extend: Open Source CFD
   4    \\    /   O peration     | Version:     3.2
   5     \\  /    A nd           | Web:         http://www.foam-extend.org
   6      \\/     M anipulation  | For copyright notice see file Copyright
   7 -------------------------------------------------------------------------------
   8 License
   9     This file is part of foam-extend.
  10
  11     foam-extend 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 3 of the License, or (at your
  14     option) any later version.
  15
  16     foam-extend is distributed in the hope that it will be useful, but
  17     WITHOUT ANY WARRANTY; without even the implied warranty of
  18     MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU
  19     General Public License for more details.
  20
  21     You should have received a copy of the GNU General Public License
  22     along with foam-extend.  If not, see <http://www.gnu.org/licenses/>.
  23
  24 Application
  25
  26 Description
  27     Calculates the equilibrium level of carbon monoxide
  28
  29 \*---------------------------------------------------------------------------*/
  30
  31 #include "argList.H"
  32 #include "objectRegistry.H"
  33 #include "foamTime.H"
  34 #include "dictionary.H"
  35 #include "IFstream.H"
  36 #include "OSspecific.H"
  37 #include "IOmanip.H"
  38
  39 #include "specieThermo.H"
  40 #include "janafThermo.H"
  41 #include "perfectGas.H"
  42 #include "SLPtrList.H"
  43
  44 using namespace Foam;
  45
  46 typedef specieThermo<janafThermo<perfectGas> > thermo;
  47
  48 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
  49 // Main program:
  50
  51 int main(int argc, char *argv[])
  52 {
  53
  54 #   include "setRootCase.H"
  55
  56 #   include "createTime.H"
  57
  58     Info<< nl << "Reading Burcat data IOdictionary" << endl;
  59
  60     IOdictionary CpData
  61     (
  62         IOobject
  63         (
  64             "BurcatCpData",
  65             runTime.constant(),
  66             runTime,
  67             IOobject::MUST_READ,
  68             IOobject::NO_WRITE,
  69             false
  70         )
  71     );
  72
  73
  74
  75     scalar T = 3000.0;
  76
  77     SLPtrList<thermo> EQreactions;
  78
  79     EQreactions.append
  80     (
  81         new thermo
  82         (
  83             thermo(CpData.lookup("CO2"))
  84          ==
  85             thermo(CpData.lookup("CO"))
  86           + 0.5*thermo(CpData.lookup("O2"))
  87         )
  88     );
  89
  90     EQreactions.append
  91     (
  92         new thermo
  93         (
  94             thermo(CpData.lookup("O2"))
  95          ==
  96             2.0*thermo(CpData.lookup("O"))
  97         )
  98     );
  99
 100     EQreactions.append
 101     (
 102         new thermo
 103         (
 104             thermo(CpData.lookup("H2O"))
 105          ==
 106             thermo(CpData.lookup("H2"))
 107           + 0.5*thermo(CpData.lookup("O2"))
 108         )
 109     );
 110
 111     EQreactions.append
 112     (
 113         new thermo
 114         (
 115             thermo(CpData.lookup("H2O"))
 116          ==
 117             thermo(CpData.lookup("H"))
 118           + thermo(CpData.lookup("OH"))
 119         )
 120     );
 121
 122
 123     for
 124     (
 125         SLPtrList<thermo>::iterator EQreactionsIter = EQreactions.begin();
 126         EQreactionsIter != EQreactions.end();
 127         ++EQreactionsIter
 128     )
 129     {
 130         Info<< "Kc(EQreactions) = " << EQreactionsIter().Kc(T) << endl;
 131     }
 132
 133
 134     Info<< nl << "end" << endl;
 135
 136     return 0;
 137 }
 138
 139
 140 // ************************************************************************* //
 141