applications/utilities/thermophysical/equilibriumCO/equilibriumCO.C

   1 /*---------------------------------------------------------------------------*\
   2   =========                 |
   3   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
   4    \\    /   O peration     |
   5     \\  /    A nd           | Copyright (C) 2011 OpenFOAM Foundation
   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
  13     the Free Software Foundation, either version 3 of the License, or
  14     (at your 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, 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 "Time.H"
  33 #include "dictionary.H"
  34 #include "IFstream.H"
  35 #include "OSspecific.H"
  36 #include "IOmanip.H"
  37
  38 #include "specieThermo.H"
  39 #include "janafThermo.H"
  40 #include "perfectGas.H"
  41 #include "SLPtrList.H"
  42
  43 using namespace Foam;
  44
  45 typedef specieThermo<janafThermo<perfectGas> > thermo;
  46
  47 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
  48 // Main program:
  49
  50 int main(int argc, char *argv[])
  51 {
  52
  53 #   include "setRootCase.H"
  54 #   include "createTime.H"
  55
  56     Info<< nl << "Reading Burcat data IOdictionary" << endl;
  57
  58     IOdictionary CpData
  59     (
  60         IOobject
  61         (
  62             "BurcatCpData",
  63             runTime.constant(),
  64             runTime,
  65             IOobject::MUST_READ_IF_MODIFIED,
  66             IOobject::NO_WRITE,
  67             false
  68         )
  69     );
  70
  71
  72
  73     scalar T = 3000.0;
  74
  75     SLPtrList<thermo> EQreactions;
  76
  77     EQreactions.append
  78     (
  79         new thermo
  80         (
  81             thermo(CpData.lookup("CO2"))
  82          ==
  83             thermo(CpData.lookup("CO"))
  84           + 0.5*thermo(CpData.lookup("O2"))
  85         )
  86     );
  87
  88     EQreactions.append
  89     (
  90         new thermo
  91         (
  92             thermo(CpData.lookup("O2"))
  93          ==
  94             2.0*thermo(CpData.lookup("O"))
  95         )
  96     );
  97
  98     EQreactions.append
  99     (
 100         new thermo
 101         (
 102             thermo(CpData.lookup("H2O"))
 103          ==
 104             thermo(CpData.lookup("H2"))
 105           + 0.5*thermo(CpData.lookup("O2"))
 106         )
 107     );
 108
 109     EQreactions.append
 110     (
 111         new thermo
 112         (
 113             thermo(CpData.lookup("H2O"))
 114          ==
 115             thermo(CpData.lookup("H"))
 116           + thermo(CpData.lookup("OH"))
 117         )
 118     );
 119
 120
 121     forAllConstIter(SLPtrList<thermo>, EQreactions, iter)
 122     {
 123         Info<< "Kc(EQreactions) = " << iter().Kc(T) << endl;
 124     }
 125
 126     Info<< nl << "end" << endl;
 127
 128     return 0;
 129 }
 130
 131
 132 // ************************************************************************* //
 133