applications/utilities/thermophysical/equilibriumCO/equilibriumCO.C

   1 /*---------------------------------------------------------------------------*\
   2   =========                 |
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   5     \\  /    A nd           | Copyright held by original author
   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 Application
  26
  27 Description
  28     Calculates the equilibrium level of carbon monoxide
  29
  30 \*---------------------------------------------------------------------------*/
  31
  32 #include "argList.H"
  33 #include "objectRegistry.H"
  34 #include "Time.H"
  35 #include "dictionary.H"
  36 #include "IFstream.H"
  37 #include "OSspecific.H"
  38 #include "IOmanip.H"
  39
  40 #include "specieThermo.H"
  41 #include "janafThermo.H"
  42 #include "perfectGas.H"
  43 #include "SLPtrList.H"
  44
  45 using namespace Foam;
  46
  47 typedef specieThermo<janafThermo<perfectGas> > thermo;
  48
  49 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
  50 // Main program:
  51
  52 int main(int argc, char *argv[])
  53 {
  54
  55 #   include "setRootCase.H"
  56
  57 #   include "createTime.H"
  58
  59     Info<< nl << "Reading Burcat data IOdictionary" << endl;
  60
  61     IOdictionary CpData
  62     (
  63         IOobject
  64         (
  65             "BurcatCpData",
  66             runTime.constant(),
  67             runTime,
  68             IOobject::MUST_READ,
  69             IOobject::NO_WRITE,
  70             false
  71         )
  72     );
  73
  74
  75
  76     scalar T = 3000.0;
  77
  78     SLPtrList<thermo> EQreactions;
  79
  80     EQreactions.append
  81     (
  82         new thermo
  83         (
  84             thermo(CpData.lookup("CO2"))
  85          ==
  86             thermo(CpData.lookup("CO"))
  87           + 0.5*thermo(CpData.lookup("O2"))
  88         )
  89     );
  90
  91     EQreactions.append
  92     (
  93         new thermo
  94         (
  95             thermo(CpData.lookup("O2"))
  96          ==
  97             2.0*thermo(CpData.lookup("O"))
  98         )
  99     );
 100
 101     EQreactions.append
 102     (
 103         new thermo
 104         (
 105             thermo(CpData.lookup("H2O"))
 106          ==
 107             thermo(CpData.lookup("H2"))
 108           + 0.5*thermo(CpData.lookup("O2"))
 109         )
 110     );
 111
 112     EQreactions.append
 113     (
 114         new thermo
 115         (
 116             thermo(CpData.lookup("H2O"))
 117          ==
 118             thermo(CpData.lookup("H"))
 119           + thermo(CpData.lookup("OH"))
 120         )
 121     );
 122
 123
 124     for
 125     (
 126         SLPtrList<thermo>::iterator EQreactionsIter = EQreactions.begin();
 127         EQreactionsIter != EQreactions.end();
 128         ++EQreactionsIter
 129     )
 130     {
 131         Info<< "Kc(EQreactions) = " << EQreactionsIter().Kc(T) << endl;
 132     }
 133
 134
 135     Info<< nl << "end" << endl;
 136
 137     return 0;
 138 }
 139
 140
 141 // ************************************************************************* //
 142