mirror of
https://develop.openfoam.com/Development/openfoam.git
synced 2025-11-28 03:28:01 +00:00
142 lines
3.7 KiB
C
142 lines
3.7 KiB
C
/*---------------------------------------------------------------------------*\
|
|
========= |
|
|
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
|
|
\\ / O peration |
|
|
\\ / A nd | www.openfoam.com
|
|
\\/ M anipulation |
|
|
-------------------------------------------------------------------------------
|
|
Copyright (C) 2011-2017 OpenFOAM Foundation
|
|
-------------------------------------------------------------------------------
|
|
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
|
|
along with OpenFOAM. If not, see <http://www.gnu.org/licenses/>.
|
|
|
|
Application
|
|
equilibriumCO
|
|
|
|
Group
|
|
grpThermophysicalUtilities
|
|
|
|
Description
|
|
Calculate the equilibrium level of carbon monoxide.
|
|
|
|
\*---------------------------------------------------------------------------*/
|
|
|
|
#include "argList.H"
|
|
#include "Time.H"
|
|
#include "dictionary.H"
|
|
#include "IFstream.H"
|
|
#include "OSspecific.H"
|
|
#include "IOmanip.H"
|
|
|
|
#include "specie.H"
|
|
#include "perfectGas.H"
|
|
#include "thermo.H"
|
|
#include "janafThermo.H"
|
|
#include "absoluteEnthalpy.H"
|
|
|
|
#include "SLPtrList.H"
|
|
#include "IOdictionary.H"
|
|
|
|
using namespace Foam;
|
|
|
|
typedef species::thermo<janafThermo<perfectGas<specie>>, absoluteEnthalpy>
|
|
thermo;
|
|
|
|
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
|
|
|
int main(int argc, char *argv[])
|
|
{
|
|
argList::addNote
|
|
(
|
|
"Calculate the equilibrium level of carbon monoxide."
|
|
);
|
|
|
|
argList::noParallel();
|
|
argList::noFunctionObjects(); // Never use function objects
|
|
|
|
#include "setRootCase.H"
|
|
#include "createTime.H"
|
|
|
|
Info<< nl << "Reading thermodynamic data IOdictionary" << endl;
|
|
|
|
IOdictionary thermoData
|
|
(
|
|
IOobject
|
|
(
|
|
"thermoData",
|
|
runTime.constant(),
|
|
runTime,
|
|
IOobject::MUST_READ_IF_MODIFIED,
|
|
IOobject::NO_WRITE,
|
|
IOobject::NO_REGISTER
|
|
)
|
|
);
|
|
|
|
|
|
const scalar P = 1e5;
|
|
const scalar T = 3000.0;
|
|
|
|
// Oxidant (mole-based)
|
|
thermo O2(thermoData.subDict("O2")); O2 *= O2.W();
|
|
thermo N2(thermoData.subDict("N2")); N2 *= N2.W();
|
|
|
|
// Intermediates (mole-based)
|
|
thermo H2(thermoData.subDict("H2")); H2 *= H2.W();
|
|
thermo OH(thermoData.subDict("OH")); OH *= OH.W();
|
|
thermo H(thermoData.subDict("H")); H *= H.W();
|
|
thermo O(thermoData.subDict("O")); O *= O.W();
|
|
|
|
// Products (mole-based)
|
|
thermo CO2(thermoData.subDict("CO2")); CO2 *= CO2.W();
|
|
thermo H2O(thermoData.subDict("H2O")); H2O *= H2O.W();
|
|
thermo CO(thermoData.subDict("CO")); CO *= CO.W();
|
|
|
|
SLPtrList<thermo> EQreactions;
|
|
|
|
EQreactions.append
|
|
(
|
|
new thermo(CO2 == CO + 0.5*O2)
|
|
);
|
|
|
|
EQreactions.append
|
|
(
|
|
new thermo(O2 == 2*O)
|
|
);
|
|
|
|
EQreactions.append
|
|
(
|
|
new thermo(H2O == H2 + 0.5*O2)
|
|
);
|
|
|
|
EQreactions.append
|
|
(
|
|
new thermo(H2O == H + OH)
|
|
);
|
|
|
|
|
|
for (const thermo& react : EQreactions)
|
|
{
|
|
Info<< "Kc(EQreactions) = " << react.Kc(P, T) << endl;
|
|
}
|
|
|
|
Info<< nl << "End" << nl << endl;
|
|
|
|
return 0;
|
|
}
|
|
|
|
|
|
// ************************************************************************* //
|