removed thermal NOx solver and add fuel NOx switch to thermal-fuel NOx solver
This commit is contained in:
ignis
parent
bfbb887274
commit
5ac3bc47ea
18 changed files with 241 additions and 732 deletions
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@ -1,4 +0,0 @@
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NOxFoam.C
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EXE = $(FOAM_USER_APPBIN)/NOxFoam_thermalNOx
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@ -1,10 +0,0 @@
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EXE_INC = \
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-I$(LIB_SRC)/finiteVolume/lnInclude \
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-I${LIB_SRC}/meshTools/lnInclude \
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-I$(LIB_SRC)/sampling/lnInclude \
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EXE_LIBS = \
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-lfiniteVolume \
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-lfvOptions \
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-lmeshTools \
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-lsampling
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@ -1,97 +0,0 @@
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/*---------------------------------------------------------------------------*\
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========= |
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\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
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\\ / O peration |
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\\ / A nd | Copyright (C) 2013-2016 OpenFOAM Foundation
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\\/ M anipulation |
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-------------------------------------------------------------------------------
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License
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This file is part of OpenFOAM.
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OpenFOAM is free software: you can redistribute it and/or modify it
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under the terms of the GNU General Public License as published by
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the Free Software Foundation, either version 3 of the License, or
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(at your option) any later version.
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OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
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ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
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FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
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for more details.
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You should have received a copy of the GNU General Public License
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along with OpenFOAM. If not, see <http://www.gnu.org/licenses/>.
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Application
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NOxFoam_thermalNOx
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\*---------------------------------------------------------------------------*/
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#include "fvCFD.H"
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#include "fvOptions.H"
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#include "simpleControl.H"
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// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
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int main(int argc, char *argv[])
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{
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#include "setRootCase.H"
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#include "createTime.H"
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#include "createMesh.H"
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#include "createControl.H"
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#include "createFields.H"
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#include "createFvOptions.H"
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// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
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Info<< "\nStarting time loop\n" << endl;
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if(instantaneousRadicals==false)
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{
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Info<< "Partial Equilibrium Approach is selected for O, OH radicals" << endl;
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}
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else
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{
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Info<< "Instantaneous massfraction field will be used for O, OH radicals" << endl;
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}
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while (simple.loop())
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{
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Info<< "Time = " << runTime.timeName() << nl << endl;
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#include "SnoCalc.H"
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mut=rho*nut;
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while (simple.correctNonOrthogonal())
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{
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fvScalarMatrix NOEqn
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(
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fvm::ddt(rho, NO)
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+ fvm::div(phi, NO)
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- fvm::laplacian(mut, NO)
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==
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Sno
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);
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NOEqn.relax();
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fvOptions.constrain(NOEqn);
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NOEqn.solve();
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fvOptions.correct(NO);
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}
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runTime.write();
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Info<< "ExecutionTime = " << runTime.elapsedCpuTime() << " s"
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<< " ClockTime = " << runTime.elapsedClockTime() << " s"
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<< nl << endl;
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}
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Info<< "End\n" << endl;
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return 0;
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}
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// ************************************************************************* //
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@ -1,44 +0,0 @@
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const scalar Wno = 0.030006; //Molecular weight of NO [kg/mol]
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const scalar Wn2 = 0.028013; // N2 [kg/mol]
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const scalar Wo2 = 0.031998; // O2 [kg/mol]
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const scalar Wh2o = 0.018015; // H2O[kg/mol]
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const scalar Wo = 0.015999; // O [kg/mol]
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const scalar Woh = 0.017008; // OH [kg/mol]
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forAll (mesh.cells(),celli)
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{
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Xno[celli]=rho[celli]*NO[celli]/Wno; //Molar concentration of NO [mol/m^3]
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Xn2[celli]=rho[celli]*N2[celli]/Wn2; // N2 [mol/m^3]
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Xo2[celli]=rho[celli]*O2[celli]/Wo2; // O2 [mol/m^3]
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Xh2o[celli]=rho[celli]*H2O[celli]/Wh2o; // H2O[mol/m^3]
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// O,OH molar concentrations
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if(instantaneousRadicals==false)
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{
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Xo[celli]=36.64*Foam::pow(T[celli],0.5)*Foam::pow(Xo2[celli],0.5)*Foam::exp(-27123/T[celli]);
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//Molar concentration of O2 [mol/m^3], Partial Equilibrium Approach
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Xoh[celli]=2.129E+02*Foam::pow(T[celli],-0.57)*Foam::exp(-4595/T[celli])*Foam::pow(Xo[celli],0.5)*Foam::pow(Xh2o[celli],0.5);
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//Molar concentration of OH [mol/m^3], Partial Equilibrium Approach
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}
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else
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{
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Xo[celli]=rho[celli]*O[celli]/Wo; //Molar concentration of O [mol/m^3]
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Xoh[celli]=rho[celli]*OH[celli]/Woh; // OH[mol/m^3]
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}
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//Reaction constants
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kf1[celli]=1.8E+08*Foam::exp(-38370/T[celli]);
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kf2[celli]=1.8E+04*T[celli]*Foam::exp(-4680/T[celli]);
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kf3[celli]=7.1E+07*Foam::exp(-450/T[celli]);
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kr1[celli]=3.8E+07*Foam::exp(-425/T[celli]);
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kr2[celli]=3.81E+03*T[celli]*Foam::exp(-20820/T[celli]);
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Sno[celli] = Wno*2*kf1[celli]*Xo[celli]*Xn2[celli]*
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((1-(kr1[celli]*kr2[celli]*Xno[celli]*Xno[celli])/(kf1[celli]*Xn2[celli]*kf2[celli]*Xo2[celli]))/
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(1+(kr1[celli]*Xno[celli])/(kf2[celli]*Xo2[celli]+kf3[celli]*Xoh[celli])))/runTime.time().deltaTValue();
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}
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volScalarField T
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(
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IOobject
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(
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"T",
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runTime.timeName(),
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mesh,
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IOobject::MUST_READ,
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IOobject::AUTO_WRITE
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),
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mesh
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);
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volScalarField rho
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(
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IOobject
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(
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"rho",
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runTime.timeName(),
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mesh,
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IOobject::MUST_READ,
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IOobject::AUTO_WRITE
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),
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mesh
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);
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Info<< "\nReading field U\n" << endl;
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volVectorField U
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(
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IOobject
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(
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"U",
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runTime.timeName(),
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mesh,
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IOobject::MUST_READ,
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IOobject::AUTO_WRITE
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),
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mesh
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);
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Info<< "Reading/calculating face flux field phi\n" << endl;
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surfaceScalarField phi
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(
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IOobject
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(
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"phi",
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runTime.timeName(),
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mesh,
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IOobject::READ_IF_PRESENT,
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IOobject::AUTO_WRITE
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),
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linearInterpolate(rho*U) & mesh.Sf()
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);
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volScalarField nut
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(
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IOobject
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(
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"nut",
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runTime.timeName(),
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mesh,
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IOobject::MUST_READ,
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IOobject::AUTO_WRITE
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),
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mesh
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);
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volScalarField mut
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(
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IOobject
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(
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"mut",
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runTime.timeName(),
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mesh,
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IOobject::NO_READ,
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IOobject::AUTO_WRITE
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),
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mesh,
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dimensionedScalar("mut",dimensionSet(1,-1,-1,0,0,0,0),0.0)
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);
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volScalarField Xno
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(
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IOobject
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(
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"Xno",
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runTime.timeName(),
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mesh,
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IOobject::READ_IF_PRESENT,
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IOobject::NO_WRITE
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),
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mesh,
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dimensionedScalar("Xno",dimensionSet(0,-3,0,0,1,0,0),0.0)
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);
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volScalarField Xn2
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(
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IOobject
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(
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"Xn2",
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runTime.timeName(),
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mesh,
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IOobject::NO_READ,
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IOobject::NO_WRITE
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),
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mesh,
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dimensionedScalar("Xn2",dimensionSet(0,-3,0,0,1,0,0),0.0)
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);
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volScalarField Xo2
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(
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IOobject
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(
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"Xo2",
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runTime.timeName(),
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mesh,
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IOobject::NO_READ,
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IOobject::NO_WRITE
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),
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mesh,
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dimensionedScalar("Xo2",dimensionSet(0,-3,0,0,1,0,0),0.0)
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);
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volScalarField Xh2o
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(
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IOobject
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(
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"Xh2o",
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runTime.timeName(),
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mesh,
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IOobject::NO_READ,
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IOobject::NO_WRITE
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),
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mesh,
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dimensionedScalar("Xh2o",dimensionSet(0,-3,0,0,1,0,0),0.0)
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);
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volScalarField Xo
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(
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IOobject
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(
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"Xo",
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runTime.timeName(),
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mesh,
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IOobject::NO_READ,
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IOobject::NO_WRITE
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),
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mesh,
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dimensionedScalar("Xo",dimensionSet(0,-3,0,0,1,0,0),0.0)
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);
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volScalarField Xoh
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(
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IOobject
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(
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"Xoh",
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runTime.timeName(),
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mesh,
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IOobject::NO_READ,
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IOobject::NO_WRITE
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),
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mesh,
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dimensionedScalar("Xoh",dimensionSet(0,-3,0,0,1,0,0),0.0)
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);
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volScalarField NO
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(
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IOobject
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(
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"NO",
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runTime.timeName(),
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mesh,
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IOobject::MUST_READ,
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IOobject::AUTO_WRITE
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),
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mesh
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);
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volScalarField N2
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(
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IOobject
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(
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"N2",
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runTime.timeName(),
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mesh,
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IOobject::MUST_READ,
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IOobject::AUTO_WRITE
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),
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mesh
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);
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volScalarField O2
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(
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IOobject
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(
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"O2",
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runTime.timeName(),
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mesh,
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IOobject::MUST_READ,
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IOobject::AUTO_WRITE
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),
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mesh
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);
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volScalarField H2O
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(
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IOobject
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(
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"H2O",
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||||||
runTime.timeName(),
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||||||
mesh,
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IOobject::MUST_READ,
|
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IOobject::AUTO_WRITE
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),
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mesh
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);
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volScalarField O
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(
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||||||
IOobject
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(
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||||||
"O",
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||||||
runTime.timeName(),
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||||||
mesh,
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IOobject::MUST_READ,
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||||||
IOobject::AUTO_WRITE
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),
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mesh
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);
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volScalarField OH
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(
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IOobject
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(
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"OH",
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runTime.timeName(),
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mesh,
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IOobject::MUST_READ,
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IOobject::AUTO_WRITE
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),
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mesh
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);
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volScalarField Sno
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(
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IOobject
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(
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"Sno",
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runTime.timeName(),
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mesh,
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IOobject::NO_READ,
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IOobject::AUTO_WRITE
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),
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mesh,
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dimensionedScalar("Sno",dimensionSet(1,-3,-1,0,0,0,0),0.0)
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);
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volScalarField kf1
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(
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IOobject
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(
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||||||
"kf1",
|
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||||||
runTime.timeName(),
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mesh,
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IOobject::NO_READ,
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IOobject::AUTO_WRITE
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),
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mesh,
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dimensionedScalar("kf1",dimensionSet(0,3,-1,0,-1,0,0),0.0)
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);
|
|
||||||
|
|
||||||
volScalarField kf2
|
|
||||||
(
|
|
||||||
IOobject
|
|
||||||
(
|
|
||||||
"kf2",
|
|
||||||
runTime.timeName(),
|
|
||||||
mesh,
|
|
||||||
IOobject::NO_READ,
|
|
||||||
IOobject::AUTO_WRITE
|
|
||||||
),
|
|
||||||
mesh,
|
|
||||||
dimensionedScalar("kf2",dimensionSet(0,3,-1,0,-1,0,0),0.0)
|
|
||||||
);
|
|
||||||
|
|
||||||
volScalarField kf3
|
|
||||||
(
|
|
||||||
IOobject
|
|
||||||
(
|
|
||||||
"kf3",
|
|
||||||
runTime.timeName(),
|
|
||||||
mesh,
|
|
||||||
IOobject::NO_READ,
|
|
||||||
IOobject::AUTO_WRITE
|
|
||||||
),
|
|
||||||
mesh,
|
|
||||||
dimensionedScalar("kf3",dimensionSet(0,3,-1,0,-1,0,0),0.0)
|
|
||||||
);
|
|
||||||
|
|
||||||
volScalarField kr1
|
|
||||||
(
|
|
||||||
IOobject
|
|
||||||
(
|
|
||||||
"kr1",
|
|
||||||
runTime.timeName(),
|
|
||||||
mesh,
|
|
||||||
IOobject::NO_READ,
|
|
||||||
IOobject::AUTO_WRITE
|
|
||||||
),
|
|
||||||
mesh,
|
|
||||||
dimensionedScalar("kr1",dimensionSet(0,3,-1,0,-1,0,0),0.0)
|
|
||||||
);
|
|
||||||
|
|
||||||
volScalarField kr2
|
|
||||||
(
|
|
||||||
IOobject
|
|
||||||
(
|
|
||||||
"kr2",
|
|
||||||
runTime.timeName(),
|
|
||||||
mesh,
|
|
||||||
IOobject::NO_READ,
|
|
||||||
IOobject::AUTO_WRITE
|
|
||||||
),
|
|
||||||
mesh,
|
|
||||||
dimensionedScalar("kr2",dimensionSet(0,3,-1,0,-1,0,0),0.0)
|
|
||||||
);
|
|
||||||
|
|
||||||
IOdictionary modelParameter
|
|
||||||
(
|
|
||||||
IOobject
|
|
||||||
(
|
|
||||||
"modelParameter",
|
|
||||||
runTime.constant(),
|
|
||||||
mesh,
|
|
||||||
IOobject::MUST_READ_IF_MODIFIED,
|
|
||||||
IOobject::NO_WRITE
|
|
||||||
)
|
|
||||||
);
|
|
||||||
|
|
||||||
bool instantaneousRadicals(modelParameter.lookupOrDefault("instantaneousRadicals", true));
|
|
||||||
|
|
@ -1,5 +1,5 @@
|
||||||
NOxFoam.C
|
NOxFoam.C
|
||||||
|
|
||||||
EXE = $(FOAM_APPBIN)/NOxFoam_thermFuel_2
|
EXE = $(FOAM_APPBIN)/NOxFoam
|
||||||
|
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -22,11 +22,9 @@ License
|
||||||
along with OpenFOAM. If not, see <http://www.gnu.org/licenses/>.
|
along with OpenFOAM. If not, see <http://www.gnu.org/licenses/>.
|
||||||
|
|
||||||
Application
|
Application
|
||||||
simpleReactingParcelFoam
|
NOxFoam
|
||||||
|
|
||||||
Description
|
Description
|
||||||
Steady state solver for compressible, turbulent flow with reacting,
|
|
||||||
multiphase particle clouds and optional sources/constraints.
|
|
||||||
|
|
||||||
\*---------------------------------------------------------------------------*/
|
\*---------------------------------------------------------------------------*/
|
||||||
|
|
||||||
|
|
@ -49,19 +47,19 @@ int main(int argc, char *argv[])
|
||||||
|
|
||||||
Info<< "\nStarting time loop\n" << endl;
|
Info<< "\nStarting time loop\n" << endl;
|
||||||
|
|
||||||
if(instantaneousRadicals==false)
|
if(instantaneousRadicals)
|
||||||
|
{
|
||||||
|
Info<< "Instantaneous mass fraction field will be used for O, OH radicals" << endl;
|
||||||
|
}
|
||||||
|
else
|
||||||
{
|
{
|
||||||
Info<< "Partial Equilibrium Approach is selected for O, OH radicals" << endl;
|
Info<< "Partial Equilibrium Approach is selected for O, OH radicals" << endl;
|
||||||
}
|
}
|
||||||
else if(instantaneousRadicals==true)
|
|
||||||
{
|
|
||||||
Info<< "Instantaneous massfraction field will be used for O, OH radicals" << endl;
|
|
||||||
}
|
|
||||||
while (simple.loop())
|
while (simple.loop())
|
||||||
{
|
{
|
||||||
Info<< "Time = " << runTime.timeName() << nl << endl;
|
Info<< "Time = " << runTime.timeName() << nl << endl;
|
||||||
|
|
||||||
mut=rho*nut;
|
|
||||||
#include "SourceCalc.H"
|
#include "SourceCalc.H"
|
||||||
#include "NH3Eqn.H"
|
#include "NH3Eqn.H"
|
||||||
#include "NOEqn.H"
|
#include "NOEqn.H"
|
||||||
|
|
|
||||||
|
|
@ -1,94 +1,42 @@
|
||||||
const scalar Wno = 0.030006; //Molecular weight of NO [kg/mol]
|
Xno = rho*NO/Wno; // Molar concentration of NO [mol/m^3]
|
||||||
const scalar Wn2 = 0.028013; // N2 [kg/mol]
|
|
||||||
const scalar Wo2 = 0.031998; // O2 [kg/mol]
|
|
||||||
const scalar Wh2o = 0.018015; // H2O[kg/mol]
|
|
||||||
const scalar Wo = 0.015999; // O [kg/mol]
|
|
||||||
const scalar Woh = 0.017008; // OH [kg/mol]
|
|
||||||
const scalar Wnh3 = 0.017031; // NH3[kg/mol]
|
|
||||||
const scalar Wn = 0.014007; // N [kg/mol]
|
|
||||||
const scalar RR = 8.314; //Universal gas constant [J/(mol*K)]
|
|
||||||
const scalar A1 = 4.0E+06; // [1/s]
|
|
||||||
const scalar A2 = 1.8E+08; // [1/s]
|
|
||||||
const scalar E1 = 133947.2; // [J/mol]
|
|
||||||
const scalar E2 = 113017.95; // [J/mol]
|
|
||||||
|
|
||||||
|
// Calculation of source term. (Thermal NO)
|
||||||
forAll (mesh.cells(),celli)
|
forAll (mesh.cells(),celli)
|
||||||
{
|
{
|
||||||
// molar concentrations
|
SthermNO[celli] = Wno.value()*2*kf1[celli]*Xo[celli]*Xn2[celli]*
|
||||||
Xno[celli]=rho[celli]*NO[celli]/Wno; //Molar concentration of NO [mol/m^3]
|
|
||||||
Xn2[celli]=rho[celli]*N2[celli]/Wn2; // N2 [mol/m^3]
|
|
||||||
Xo2[celli]=rho[celli]*O2[celli]/Wo2; // O2 [mol/m^3]
|
|
||||||
Xh2o[celli]=rho[celli]*H2O[celli]/Wh2o; // H2O[mol/m^3]
|
|
||||||
Xnh3[celli]=rho[celli]*NH3[celli]/Wnh3; // nh3[mol/m^3]
|
|
||||||
|
|
||||||
// O,OH molar concentrations
|
|
||||||
if(instantaneousRadicals==false)
|
|
||||||
{
|
|
||||||
Xo[celli]=36.64*Foam::pow(T[celli],0.5)*Foam::pow(Xo2[celli],0.5)*Foam::exp(-27123/T[celli]);
|
|
||||||
//Molar concentration of O2 [mol/m^3], Partial Equilibrium Approach
|
|
||||||
Xoh[celli]=2.129E+02*Foam::pow(T[celli],-0.57)*Foam::exp(-4595/T[celli])*Foam::pow(Xo[celli],0.5)*Foam::pow(Xh2o[celli],0.5);
|
|
||||||
//Molar concentration of OH [mol/m^3], Partial Equilibrium Approach
|
|
||||||
}
|
|
||||||
else
|
|
||||||
{
|
|
||||||
Xo[celli]=rho[celli]*O[celli]/Wo; //Molar concentration of O [mol/m^3]
|
|
||||||
Xoh[celli]=rho[celli]*OH[celli]/Woh; // OH[mol/m^3]
|
|
||||||
}
|
|
||||||
|
|
||||||
|
|
||||||
// NH3
|
|
||||||
//Oxygen Reaction Order, a
|
|
||||||
if (Xo2[celli] <= 4.1E-03) {
|
|
||||||
a[celli] = 1.0;
|
|
||||||
}
|
|
||||||
else if ( Xo2[celli] > 4.1E-03 and Xo2[celli] <= 1.11E-02 ) {
|
|
||||||
a[celli] = -3.95-0.9*Foam::log(Xo2[celli]);
|
|
||||||
}
|
|
||||||
else if ( Xo2[celli] > 1.11-02 and Xo2[celli] <= 0.03 ) {
|
|
||||||
a[celli] = -0.35-0.1*Foam::log(Xo2[celli]);
|
|
||||||
}
|
|
||||||
else if ( Xo2[celli] > 0.03 ) {
|
|
||||||
a[celli] = 0;
|
|
||||||
}
|
|
||||||
//Conversion rate of NH3
|
|
||||||
R1[celli] = A1*Xnh3[celli]*Foam::pow(Xo2[celli],a[celli])*Foam::exp(-E1/(RR*T[celli])); // [1/s]
|
|
||||||
R2[celli] = A2*Xnh3[celli]*Xno[celli]*Foam::exp(-E2/(RR*T[celli])); // [1/s]
|
|
||||||
|
|
||||||
//Source and sink of NH3
|
|
||||||
Snh3_p[celli] = (Sfuel1[celli]+Sfuel2[celli])*Yn[celli]*Wnh3/Wn/mesh.V()[celli]; //NH3 production
|
|
||||||
Snh3_1[celli] = -R1[celli]*Wnh3*p[celli]/(RR*T[celli]); //NH3 consumption -> NO (oxidation)
|
|
||||||
Snh3_2[celli] = -R2[celli]*Wnh3*p[celli]/(RR*T[celli]); //NH3 consumption -> N2 (reduction)
|
|
||||||
|
|
||||||
//Sum of Sources (NH3 production, consumption 1, and consumption 2 )
|
|
||||||
Snh3[celli] = Snh3_p[celli] +Snh3_1[celli] +Snh3_2[celli];
|
|
||||||
|
|
||||||
|
|
||||||
//Thermal NO
|
|
||||||
//Reaction rate constants [m^3/(mol*s)]
|
|
||||||
kf1[celli]=1.8E+08*Foam::exp(-38370/T[celli]);
|
|
||||||
kf2[celli]=1.8E+04*T[celli]*Foam::exp(-4680/T[celli]);
|
|
||||||
kf3[celli]=7.1E+07*Foam::exp(-450/T[celli]);
|
|
||||||
kr1[celli]=3.8E+07*Foam::exp(-425/T[celli]);
|
|
||||||
kr2[celli]=3.81E+03*T[celli]*Foam::exp(-20820/T[celli]);
|
|
||||||
//Calculation of source term. (Thermal NO)
|
|
||||||
SthermNO[celli] = Wno*2*kf1[celli]*Xo[celli]*Xn2[celli]*
|
|
||||||
((1-(kr1[celli]*kr2[celli]*Xno[celli]*Xno[celli])/
|
((1-(kr1[celli]*kr2[celli]*Xno[celli]*Xno[celli])/
|
||||||
(kf1[celli]*Xn2[celli]*kf2[celli]*Xo2[celli]))/
|
(kf1[celli]*Xn2[celli]*kf2[celli]*Xo2[celli]))/
|
||||||
(1+(kr1[celli]*Xno[celli])/
|
(1+(kr1[celli]*Xno[celli])/
|
||||||
(kf2[celli]*Xo2[celli]+kf3[celli]*Xoh[celli])))
|
(kf2[celli]*Xo2[celli]+kf3[celli]*Xoh[celli])))
|
||||||
/runTime.time().deltaTValue();
|
/runTime.time().deltaTValue();
|
||||||
|
|
||||||
|
|
||||||
// Fuel NO
|
|
||||||
//Calculation of source term. (Fuel NO)
|
|
||||||
SfuelNO_1[celli] = R1[celli]*Wno*p[celli]/(RR*T[celli]); // NH3 + O2 -> NO (source)
|
|
||||||
SfuelNO_2[celli] =-R2[celli]*Wno*p[celli]/(RR*T[celli]); // NH3 + NO -> N2 (sink)
|
|
||||||
SfuelNO[celli] = SfuelNO_1[celli] + SfuelNO_2[celli]; // Sum of fuel NO source terms [kg/(m^3*s)]
|
|
||||||
|
|
||||||
|
|
||||||
// Sum of NO Sources (source of thermal NO and fuel NO)
|
|
||||||
Sno[celli] = SthermNO[celli] + SfuelNO[celli]; // [kg/(m^3*s)]
|
|
||||||
|
|
||||||
}
|
}
|
||||||
|
|
||||||
|
Sno = SthermNO;
|
||||||
|
|
||||||
|
if (calculateFuelNOx)
|
||||||
|
{
|
||||||
|
Xnh3 = rho*NH3/Wnh3; // Molar concentration of nh3[mol/m^3]
|
||||||
|
|
||||||
|
forAll (mesh.cells(),celli)
|
||||||
|
{
|
||||||
|
// Conversion rate of NH3
|
||||||
|
R1[celli] = A1*Xnh3[celli]*Foam::pow(Xo2[celli],a[celli])*Foam::exp(-E1/(RR*T[celli])); // [1/s]
|
||||||
|
R2[celli] = A2*Xnh3[celli]*Xno[celli]*Foam::exp(-E2/(RR*T[celli])); // [1/s]
|
||||||
|
}
|
||||||
|
|
||||||
|
// NH3 sinks
|
||||||
|
Snh3_1 = -R1*Wnh3*p/(Rgas*T); // NH3 consumption -> NO (oxidation)
|
||||||
|
Snh3_2 = -R2*Wnh3*p/(Rgas*T); // NH3 consumption -> N2 (reduction)
|
||||||
|
|
||||||
|
// net NH3 source (NH3 production, consumption 1, and consumption 2)
|
||||||
|
Snh3 = Snh3_p + Snh3_1 + Snh3_2;
|
||||||
|
|
||||||
|
// Fuel NO
|
||||||
|
// Calculation of source term. (Fuel NO)
|
||||||
|
SfuelNO_1 = R1*Wno*p/(Rgas*T); // NH3 + O2 -> NO (source)
|
||||||
|
SfuelNO_2 = -R2*Wno*p/(Rgas*T); // NH3 + NO -> N2 (sink)
|
||||||
|
SfuelNO = SfuelNO_1 + SfuelNO_2; // Sum of fuel NO source terms
|
||||||
|
|
||||||
|
// Sum of NO Sources (source of thermal NO and fuel NO)
|
||||||
|
Sno += SfuelNO;
|
||||||
|
}
|
||||||
|
|
|
||||||
|
|
@ -1,4 +1,52 @@
|
||||||
|
|
||||||
|
IOdictionary NOxProperties
|
||||||
|
(
|
||||||
|
IOobject
|
||||||
|
(
|
||||||
|
"NOxProperties",
|
||||||
|
runTime.constant(),
|
||||||
|
mesh,
|
||||||
|
IOobject::MUST_READ_IF_MODIFIED,
|
||||||
|
IOobject::NO_WRITE
|
||||||
|
)
|
||||||
|
);
|
||||||
|
|
||||||
|
wordList fuelSourceNames(NOxProperties.lookup("fuelSourceNames"));
|
||||||
|
|
||||||
|
PtrList<volScalarField::Internal> fuelSources(fuelSourceNames.size());
|
||||||
|
|
||||||
|
forAll (fuelSources, si)
|
||||||
|
{
|
||||||
|
fuelSources.set
|
||||||
|
(
|
||||||
|
si,
|
||||||
|
new volScalarField::Internal
|
||||||
|
(
|
||||||
|
IOobject
|
||||||
|
(
|
||||||
|
fuelSourceNames[si],
|
||||||
|
runTime.timeName(),
|
||||||
|
mesh,
|
||||||
|
IOobject::MUST_READ,
|
||||||
|
IOobject::AUTO_WRITE
|
||||||
|
),
|
||||||
|
mesh
|
||||||
|
)
|
||||||
|
);
|
||||||
|
}
|
||||||
|
|
||||||
|
scalarField nitrogenMassInFuels(NOxProperties.lookup("nitrogenMassInFuels"));
|
||||||
|
|
||||||
|
bool instantaneousRadicals
|
||||||
|
(
|
||||||
|
NOxProperties.lookupOrDefault("instantaneousRadicals", true)
|
||||||
|
);
|
||||||
|
|
||||||
|
bool calculateFuelNOx
|
||||||
|
(
|
||||||
|
NOxProperties.lookupOrDefault("calculateFuelNOx", false)
|
||||||
|
);
|
||||||
|
|
||||||
volScalarField T
|
volScalarField T
|
||||||
(
|
(
|
||||||
IOobject
|
IOobject
|
||||||
|
|
@ -12,6 +60,19 @@ volScalarField T
|
||||||
mesh
|
mesh
|
||||||
);
|
);
|
||||||
|
|
||||||
|
volScalarField rho
|
||||||
|
(
|
||||||
|
IOobject
|
||||||
|
(
|
||||||
|
"rho",
|
||||||
|
runTime.timeName(),
|
||||||
|
mesh,
|
||||||
|
IOobject::MUST_READ,
|
||||||
|
IOobject::AUTO_WRITE
|
||||||
|
),
|
||||||
|
mesh
|
||||||
|
);
|
||||||
|
|
||||||
volScalarField p
|
volScalarField p
|
||||||
(
|
(
|
||||||
IOobject
|
IOobject
|
||||||
|
|
@ -26,6 +87,7 @@ volScalarField p
|
||||||
);
|
);
|
||||||
|
|
||||||
|
|
||||||
|
Info<< "\nReading field U\n" << endl;
|
||||||
volVectorField U
|
volVectorField U
|
||||||
(
|
(
|
||||||
IOobject
|
IOobject
|
||||||
|
|
@ -39,19 +101,7 @@ volVectorField U
|
||||||
mesh
|
mesh
|
||||||
);
|
);
|
||||||
|
|
||||||
volScalarField rho
|
Info<< "Reading/calculating face flux field phi\n" << endl;
|
||||||
(
|
|
||||||
IOobject
|
|
||||||
(
|
|
||||||
"rho",
|
|
||||||
runTime.timeName(),
|
|
||||||
mesh,
|
|
||||||
IOobject::MUST_READ,
|
|
||||||
IOobject::AUTO_WRITE
|
|
||||||
),
|
|
||||||
mesh
|
|
||||||
);
|
|
||||||
|
|
||||||
surfaceScalarField phi
|
surfaceScalarField phi
|
||||||
(
|
(
|
||||||
IOobject
|
IOobject
|
||||||
|
|
@ -65,7 +115,6 @@ surfaceScalarField phi
|
||||||
linearInterpolate(rho*U) & mesh.Sf()
|
linearInterpolate(rho*U) & mesh.Sf()
|
||||||
);
|
);
|
||||||
|
|
||||||
|
|
||||||
volScalarField nut
|
volScalarField nut
|
||||||
(
|
(
|
||||||
IOobject
|
IOobject
|
||||||
|
|
@ -89,11 +138,9 @@ volScalarField mut
|
||||||
IOobject::NO_READ,
|
IOobject::NO_READ,
|
||||||
IOobject::AUTO_WRITE
|
IOobject::AUTO_WRITE
|
||||||
),
|
),
|
||||||
mesh,
|
rho * nut
|
||||||
dimensionedScalar("mut",dimensionSet(1,-1,-1,0,0,0,0),0.0)
|
|
||||||
);
|
);
|
||||||
|
|
||||||
|
|
||||||
volScalarField Xno
|
volScalarField Xno
|
||||||
(
|
(
|
||||||
IOobject
|
IOobject
|
||||||
|
|
@ -104,8 +151,8 @@ volScalarField Xno
|
||||||
IOobject::READ_IF_PRESENT,
|
IOobject::READ_IF_PRESENT,
|
||||||
IOobject::NO_WRITE
|
IOobject::NO_WRITE
|
||||||
),
|
),
|
||||||
mesh,
|
mesh,
|
||||||
dimensionedScalar("Xno",dimensionSet(0,-3,0,0,1,0,0),0.0)
|
dimensionedScalar("Xno",dimMoles/dimVolume,0.0)
|
||||||
);
|
);
|
||||||
|
|
||||||
volScalarField Xn2
|
volScalarField Xn2
|
||||||
|
|
@ -119,7 +166,7 @@ volScalarField Xn2
|
||||||
IOobject::NO_WRITE
|
IOobject::NO_WRITE
|
||||||
),
|
),
|
||||||
mesh,
|
mesh,
|
||||||
dimensionedScalar("Xn2",dimensionSet(0,-3,0,0,1,0,0),0.0)
|
dimensionedScalar("Xn2",dimMoles/dimVolume,0.0)
|
||||||
);
|
);
|
||||||
|
|
||||||
volScalarField Xo2
|
volScalarField Xo2
|
||||||
|
|
@ -133,7 +180,7 @@ volScalarField Xo2
|
||||||
IOobject::NO_WRITE
|
IOobject::NO_WRITE
|
||||||
),
|
),
|
||||||
mesh,
|
mesh,
|
||||||
dimensionedScalar("Xo2",dimensionSet(0,-3,0,0,1,0,0),0.0)
|
dimensionedScalar("Xo2",dimMoles/dimVolume,0.0)
|
||||||
);
|
);
|
||||||
|
|
||||||
volScalarField Xh2o
|
volScalarField Xh2o
|
||||||
|
|
@ -147,7 +194,7 @@ volScalarField Xh2o
|
||||||
IOobject::NO_WRITE
|
IOobject::NO_WRITE
|
||||||
),
|
),
|
||||||
mesh,
|
mesh,
|
||||||
dimensionedScalar("Xh2o",dimensionSet(0,-3,0,0,1,0,0),0.0)
|
dimensionedScalar("Xh2o",dimMoles/dimVolume,0.0)
|
||||||
);
|
);
|
||||||
|
|
||||||
volScalarField Xnh3
|
volScalarField Xnh3
|
||||||
|
|
@ -161,7 +208,7 @@ volScalarField Xnh3
|
||||||
IOobject::NO_WRITE
|
IOobject::NO_WRITE
|
||||||
),
|
),
|
||||||
mesh,
|
mesh,
|
||||||
dimensionedScalar("Xnh3",dimensionSet(0,-3,0,0,1,0,0),0.0)
|
dimensionedScalar("Xnh3",dimMoles/dimVolume,0.0)
|
||||||
);
|
);
|
||||||
|
|
||||||
volScalarField Xo
|
volScalarField Xo
|
||||||
|
|
@ -175,7 +222,7 @@ volScalarField Xo
|
||||||
IOobject::NO_WRITE
|
IOobject::NO_WRITE
|
||||||
),
|
),
|
||||||
mesh,
|
mesh,
|
||||||
dimensionedScalar("Xo",dimensionSet(0,-3,0,0,1,0,0),0.0)
|
dimensionedScalar("Xo",dimMoles/dimVolume,0.0)
|
||||||
);
|
);
|
||||||
|
|
||||||
volScalarField Xoh
|
volScalarField Xoh
|
||||||
|
|
@ -189,7 +236,7 @@ volScalarField Xoh
|
||||||
IOobject::NO_WRITE
|
IOobject::NO_WRITE
|
||||||
),
|
),
|
||||||
mesh,
|
mesh,
|
||||||
dimensionedScalar("Xoh",dimensionSet(0,-3,0,0,1,0,0),0.0)
|
dimensionedScalar("Xoh",dimMoles/dimVolume,0.0)
|
||||||
);
|
);
|
||||||
|
|
||||||
volScalarField NO
|
volScalarField NO
|
||||||
|
|
@ -277,12 +324,18 @@ volScalarField NH3
|
||||||
"NH3",
|
"NH3",
|
||||||
runTime.timeName(),
|
runTime.timeName(),
|
||||||
mesh,
|
mesh,
|
||||||
IOobject::MUST_READ,
|
IOobject::READ_IF_PRESENT,
|
||||||
IOobject::AUTO_WRITE
|
IOobject::NO_WRITE
|
||||||
),
|
),
|
||||||
mesh
|
mesh,
|
||||||
|
dimensionedScalar("NH3",dimless,0.0)
|
||||||
);
|
);
|
||||||
|
|
||||||
|
if (calculateFuelNOx)
|
||||||
|
{
|
||||||
|
NH3.writeOpt() = IOobject::AUTO_WRITE;
|
||||||
|
}
|
||||||
|
|
||||||
volScalarField Sno
|
volScalarField Sno
|
||||||
(
|
(
|
||||||
IOobject
|
IOobject
|
||||||
|
|
@ -290,11 +343,11 @@ volScalarField Sno
|
||||||
"Sno",
|
"Sno",
|
||||||
runTime.timeName(),
|
runTime.timeName(),
|
||||||
mesh,
|
mesh,
|
||||||
IOobject::MUST_READ,
|
IOobject::NO_READ,
|
||||||
IOobject::AUTO_WRITE
|
IOobject::AUTO_WRITE
|
||||||
),
|
),
|
||||||
mesh,
|
mesh,
|
||||||
dimensionedScalar("Sno",dimensionSet(1,-3,-1,0,0,0,0),0.0)
|
dimensionedScalar("Sno",dimDensity/dimTime,0.0)
|
||||||
);
|
);
|
||||||
|
|
||||||
volScalarField SthermNO
|
volScalarField SthermNO
|
||||||
|
|
@ -304,11 +357,11 @@ volScalarField SthermNO
|
||||||
"SthermNO",
|
"SthermNO",
|
||||||
runTime.timeName(),
|
runTime.timeName(),
|
||||||
mesh,
|
mesh,
|
||||||
IOobject::MUST_READ,
|
IOobject::NO_READ,
|
||||||
IOobject::AUTO_WRITE
|
IOobject::AUTO_WRITE
|
||||||
),
|
),
|
||||||
mesh,
|
mesh,
|
||||||
dimensionedScalar("SthermNO",dimensionSet(1,-3,-1,0,0,0,0),0.0)
|
dimensionedScalar("SthermNO",dimDensity/dimTime,0.0)
|
||||||
);
|
);
|
||||||
|
|
||||||
volScalarField SfuelNO
|
volScalarField SfuelNO
|
||||||
|
|
@ -322,7 +375,7 @@ volScalarField SfuelNO
|
||||||
IOobject::AUTO_WRITE
|
IOobject::AUTO_WRITE
|
||||||
),
|
),
|
||||||
mesh,
|
mesh,
|
||||||
dimensionedScalar("SfuelNO",dimensionSet(1,-3,-1,0,0,0,0),0.0)
|
dimensionedScalar("SfuelNO",dimDensity/dimTime,0.0)
|
||||||
);
|
);
|
||||||
|
|
||||||
volScalarField SfuelNO_1
|
volScalarField SfuelNO_1
|
||||||
|
|
@ -332,11 +385,11 @@ volScalarField SfuelNO_1
|
||||||
"SfuelNO_1",
|
"SfuelNO_1",
|
||||||
runTime.timeName(),
|
runTime.timeName(),
|
||||||
mesh,
|
mesh,
|
||||||
IOobject::MUST_READ,
|
IOobject::NO_READ,
|
||||||
IOobject::AUTO_WRITE
|
IOobject::AUTO_WRITE
|
||||||
),
|
),
|
||||||
mesh,
|
mesh,
|
||||||
dimensionedScalar("SfuelNO_1",dimensionSet(1,-3,-1,0,0,0,0),0.0)
|
dimensionedScalar("SfuelNO_1",dimDensity/dimTime,0.0)
|
||||||
);
|
);
|
||||||
|
|
||||||
volScalarField SfuelNO_2
|
volScalarField SfuelNO_2
|
||||||
|
|
@ -350,7 +403,7 @@ volScalarField SfuelNO_2
|
||||||
IOobject::AUTO_WRITE
|
IOobject::AUTO_WRITE
|
||||||
),
|
),
|
||||||
mesh,
|
mesh,
|
||||||
dimensionedScalar("SfuelNO_2",dimensionSet(1,-3,-1,0,0,0,0),0.0)
|
dimensionedScalar("SfuelNO_2",dimDensity/dimTime,0.0)
|
||||||
);
|
);
|
||||||
|
|
||||||
volScalarField a
|
volScalarField a
|
||||||
|
|
@ -364,7 +417,7 @@ volScalarField a
|
||||||
IOobject::AUTO_WRITE
|
IOobject::AUTO_WRITE
|
||||||
),
|
),
|
||||||
mesh,
|
mesh,
|
||||||
dimensionedScalar("a",dimensionSet(0,0,0,0,0,0,0),0.0)
|
dimensionedScalar("a",dimless,0.0)
|
||||||
);
|
);
|
||||||
|
|
||||||
volScalarField R1
|
volScalarField R1
|
||||||
|
|
@ -378,7 +431,7 @@ volScalarField R1
|
||||||
IOobject::AUTO_WRITE
|
IOobject::AUTO_WRITE
|
||||||
),
|
),
|
||||||
mesh,
|
mesh,
|
||||||
dimensionedScalar("R1",dimensionSet(0,0,-1,0,0,0,0),0.0)
|
dimensionedScalar("R1",dimless/dimTime,0.0)
|
||||||
);
|
);
|
||||||
|
|
||||||
volScalarField R2
|
volScalarField R2
|
||||||
|
|
@ -392,7 +445,7 @@ volScalarField R2
|
||||||
IOobject::AUTO_WRITE
|
IOobject::AUTO_WRITE
|
||||||
),
|
),
|
||||||
mesh,
|
mesh,
|
||||||
dimensionedScalar("R1",dimensionSet(0,0,-1,0,0,0,0),0.0)
|
dimensionedScalar("R1",dimless/dimTime,0.0)
|
||||||
);
|
);
|
||||||
|
|
||||||
volScalarField Snh3_p
|
volScalarField Snh3_p
|
||||||
|
|
@ -406,7 +459,7 @@ volScalarField Snh3_p
|
||||||
IOobject::AUTO_WRITE
|
IOobject::AUTO_WRITE
|
||||||
),
|
),
|
||||||
mesh,
|
mesh,
|
||||||
dimensionedScalar("Snh3_p",dimensionSet(1,-3,-1,0,0,0,0),0.0)
|
dimensionedScalar("Snh3_p",dimDensity/dimTime,0.0)
|
||||||
);
|
);
|
||||||
|
|
||||||
volScalarField Snh3_1
|
volScalarField Snh3_1
|
||||||
|
|
@ -420,7 +473,7 @@ volScalarField Snh3_1
|
||||||
IOobject::AUTO_WRITE
|
IOobject::AUTO_WRITE
|
||||||
),
|
),
|
||||||
mesh,
|
mesh,
|
||||||
dimensionedScalar("Snh3_1",dimensionSet(1,-3,-1,0,0,0,0),0.0)
|
dimensionedScalar("Snh3_1",dimDensity/dimTime,0.0)
|
||||||
);
|
);
|
||||||
|
|
||||||
volScalarField Snh3_2
|
volScalarField Snh3_2
|
||||||
|
|
@ -434,7 +487,7 @@ volScalarField Snh3_2
|
||||||
IOobject::AUTO_WRITE
|
IOobject::AUTO_WRITE
|
||||||
),
|
),
|
||||||
mesh,
|
mesh,
|
||||||
dimensionedScalar("Snh3_2",dimensionSet(1,-3,-1,0,0,0,0),0.0)
|
dimensionedScalar("Snh3_2",dimDensity/dimTime,0.0)
|
||||||
);
|
);
|
||||||
|
|
||||||
volScalarField Snh3
|
volScalarField Snh3
|
||||||
|
|
@ -448,11 +501,9 @@ volScalarField Snh3
|
||||||
IOobject::AUTO_WRITE
|
IOobject::AUTO_WRITE
|
||||||
),
|
),
|
||||||
mesh,
|
mesh,
|
||||||
dimensionedScalar("Snh3",dimensionSet(1,-3,-1,0,0,0,0),0.0)
|
dimensionedScalar("Snh3",dimDensity/dimTime,0.0)
|
||||||
);
|
);
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
volScalarField kf1
|
volScalarField kf1
|
||||||
(
|
(
|
||||||
IOobject
|
IOobject
|
||||||
|
|
@ -464,7 +515,7 @@ volScalarField kf1
|
||||||
IOobject::AUTO_WRITE
|
IOobject::AUTO_WRITE
|
||||||
),
|
),
|
||||||
mesh,
|
mesh,
|
||||||
dimensionedScalar("kf1",dimensionSet(0,3,-1,0,-1,0,0),0.0)
|
dimensionedScalar("kf1",dimVolume/dimTime/dimMoles,0.0)
|
||||||
);
|
);
|
||||||
|
|
||||||
volScalarField kf2
|
volScalarField kf2
|
||||||
|
|
@ -478,7 +529,7 @@ volScalarField kf2
|
||||||
IOobject::AUTO_WRITE
|
IOobject::AUTO_WRITE
|
||||||
),
|
),
|
||||||
mesh,
|
mesh,
|
||||||
dimensionedScalar("kf2",dimensionSet(0,3,-1,0,-1,0,0),0.0)
|
dimensionedScalar("kf2",dimVolume/dimTime/dimMoles,0.0)
|
||||||
);
|
);
|
||||||
|
|
||||||
volScalarField kf3
|
volScalarField kf3
|
||||||
|
|
@ -492,7 +543,7 @@ volScalarField kf3
|
||||||
IOobject::AUTO_WRITE
|
IOobject::AUTO_WRITE
|
||||||
),
|
),
|
||||||
mesh,
|
mesh,
|
||||||
dimensionedScalar("kf3",dimensionSet(0,3,-1,0,-1,0,0),0.0)
|
dimensionedScalar("kf3",dimVolume/dimTime/dimMoles,0.0)
|
||||||
);
|
);
|
||||||
|
|
||||||
volScalarField kr1
|
volScalarField kr1
|
||||||
|
|
@ -506,7 +557,7 @@ volScalarField kr1
|
||||||
IOobject::AUTO_WRITE
|
IOobject::AUTO_WRITE
|
||||||
),
|
),
|
||||||
mesh,
|
mesh,
|
||||||
dimensionedScalar("kr1",dimensionSet(0,3,-1,0,-1,0,0),0.0)
|
dimensionedScalar("kr1",dimVolume/dimTime/dimMoles,0.0)
|
||||||
);
|
);
|
||||||
|
|
||||||
volScalarField kr2
|
volScalarField kr2
|
||||||
|
|
@ -520,72 +571,90 @@ volScalarField kr2
|
||||||
IOobject::AUTO_WRITE
|
IOobject::AUTO_WRITE
|
||||||
),
|
),
|
||||||
mesh,
|
mesh,
|
||||||
dimensionedScalar("kr2",dimensionSet(0,3,-1,0,-1,0,0),0.0)
|
dimensionedScalar("kr2",dimVolume/dimTime/dimMoles,0.0)
|
||||||
);
|
);
|
||||||
|
|
||||||
|
const dimensionedScalar Wno ("Wno", dimMass/dimMoles, 0.030006); // Molecular weight of NO [kg/mol]
|
||||||
|
const dimensionedScalar Wn2 ("Wn2", dimMass/dimMoles, 0.028013); // Molecular weight of N2 [kg/mol]
|
||||||
|
const dimensionedScalar Wo2 ("Wo2", dimMass/dimMoles, 0.031998); // Molecular weight of O2 [kg/mol]
|
||||||
|
const dimensionedScalar Wh2o ("Wh2o", dimMass/dimMoles, 0.018015); // Molecular weight of H2O[kg/mol]
|
||||||
|
const dimensionedScalar Wo ("Wo", dimMass/dimMoles, 0.015999); // Molecular weight of O [kg/mol]
|
||||||
|
const dimensionedScalar Woh ("Woh", dimMass/dimMoles, 0.017008); // Molecular weight of OH [kg/mol]
|
||||||
|
const dimensionedScalar Wnh3 ("Wnh3", dimMass/dimMoles, 0.017031); // Molecular weight of NH3[kg/mol]
|
||||||
|
const dimensionedScalar Wn ("Wn", dimMass/dimMoles, 0.014007); // Molecular weight of N [kg/mol]
|
||||||
|
|
||||||
volScalarField Sfuel1
|
const dimensionedScalar Rgas (Foam::constant::physicoChemical::R);
|
||||||
(
|
const scalar RR = Rgas.value(); // Universal gas constant [J/(mol*K)]
|
||||||
IOobject
|
const scalar A1 = 4.0E+06; // [1/s]
|
||||||
(
|
const scalar A2 = 1.8E+08; // [1/s]
|
||||||
"Sfuel1",
|
const scalar E1 = 133947.2; // [J/mol]
|
||||||
runTime.timeName(),
|
const scalar E2 = 113017.95; // [J/mol]
|
||||||
mesh,
|
|
||||||
IOobject::MUST_READ,
|
|
||||||
IOobject::AUTO_WRITE
|
|
||||||
),
|
|
||||||
mesh
|
|
||||||
);
|
|
||||||
|
|
||||||
volScalarField Sfuel2
|
// molar concentrations
|
||||||
(
|
Xn2 = rho*N2/Wn2; // Molar concentration of N2 [mol/m^3]
|
||||||
IOobject
|
Xo2 = rho*O2/Wo2; // Molar concentration of O2 [mol/m^3]
|
||||||
(
|
Xh2o = rho*H2O/Wh2o; // Molar concentration of H2O[mol/m^3]
|
||||||
"Sfuel2",
|
|
||||||
runTime.timeName(),
|
|
||||||
mesh,
|
|
||||||
IOobject::MUST_READ,
|
|
||||||
IOobject::AUTO_WRITE
|
|
||||||
),
|
|
||||||
mesh
|
|
||||||
);
|
|
||||||
|
|
||||||
IOdictionary fuelNitrogenMassFraction
|
// O,OH molar concentrations
|
||||||
(
|
if(instantaneousRadicals)
|
||||||
IOobject
|
{
|
||||||
(
|
Xo = rho*O/Wo; // Molar concentration of O [mol/m^3]
|
||||||
"fuelNitrogenMassFraction",
|
Xoh = rho*OH/Woh; // Molar concentration of OH[mol/m^3]
|
||||||
runTime.constant(),
|
}
|
||||||
mesh,
|
else
|
||||||
IOobject::MUST_READ_IF_MODIFIED,
|
{
|
||||||
IOobject::NO_WRITE
|
forAll (mesh.cells(),celli)
|
||||||
)
|
{
|
||||||
);
|
// Molar concentration of O [mol/m^3], Partial Equilibrium Approach
|
||||||
|
Xo[celli] = 36.64 * Foam::pow(T[celli],0.5)
|
||||||
|
* Foam::pow(Xo2[celli],0.5) * Foam::exp(-27123.0/T[celli]);
|
||||||
|
// Molar concentration of OH [mol/m^3], Partial Equilibrium Approach
|
||||||
|
Xoh[celli] = 2.129E+02 * Foam::pow(T[celli],-0.57) * Foam::exp(-4595.0/T[celli])
|
||||||
|
* Foam::pow(Xo[celli],0.5) * Foam::pow(Xh2o[celli],0.5);
|
||||||
|
}
|
||||||
|
}
|
||||||
|
|
||||||
volScalarField Yn
|
forAll (mesh.cells(),celli)
|
||||||
(
|
{
|
||||||
IOobject
|
// Thermal NO
|
||||||
(
|
// Reaction rate constants [m^3/(mol*s)]
|
||||||
"Yn",
|
kf1[celli] = 1.8E+08*Foam::exp(-38370/T[celli]);
|
||||||
runTime.timeName(),
|
kf2[celli] = 1.8E+04*T[celli]*Foam::exp(-4680/T[celli]);
|
||||||
mesh,
|
kf3[celli] = 7.1E+07*Foam::exp(-450/T[celli]);
|
||||||
IOobject::NO_READ,
|
kr1[celli] = 3.8E+07*Foam::exp(-425/T[celli]);
|
||||||
IOobject::NO_WRITE
|
kr2[celli] = 3.81E+03*T[celli]*Foam::exp(-20820/T[celli]);
|
||||||
),
|
}
|
||||||
mesh,
|
|
||||||
dimensionedScalar(fuelNitrogenMassFraction.lookup("Yn"))
|
|
||||||
);
|
|
||||||
|
|
||||||
IOdictionary modelParameter
|
// a, Order of Reaction "NH3 + O2 -> NO"
|
||||||
(
|
forAll (mesh.cells(),celli)
|
||||||
IOobject
|
{
|
||||||
(
|
if (Xo2[celli] <= 4.1E-03)
|
||||||
"modelParameter",
|
{
|
||||||
runTime.constant(),
|
a[celli] = 1.0;
|
||||||
mesh,
|
}
|
||||||
IOobject::MUST_READ_IF_MODIFIED,
|
else if ( Xo2[celli] > 4.1E-03 and Xo2[celli] <= 1.11E-02 )
|
||||||
IOobject::NO_WRITE
|
{
|
||||||
)
|
a[celli] = -3.95 - 0.9*Foam::log(Xo2[celli]);
|
||||||
);
|
}
|
||||||
|
else if ( Xo2[celli] > 1.11E-02 and Xo2[celli] <= 0.03 )
|
||||||
|
{
|
||||||
|
a[celli] = -0.35 - 0.1*Foam::log(Xo2[celli]);
|
||||||
|
}
|
||||||
|
else // if ( Xo2[celli] > 0.03 )
|
||||||
|
{
|
||||||
|
a[celli] = 0.0;
|
||||||
|
}
|
||||||
|
}
|
||||||
|
|
||||||
|
// NH3 source
|
||||||
|
forAll (mesh.cells(),celli)
|
||||||
|
{
|
||||||
|
scalar nh3Source = 0.0;
|
||||||
|
forAll (fuelSources, si)
|
||||||
|
{
|
||||||
|
nh3Source += fuelSources[si][celli] * nitrogenMassInFuels[si];
|
||||||
|
}
|
||||||
|
|
||||||
|
Snh3_p[celli] = nh3Source*Wnh3.value()/Wn.value()/mesh.V()[celli]; // NH3 production
|
||||||
|
}
|
||||||
|
|
||||||
bool instantaneousRadicals(modelParameter.lookupOrDefault("instantaneousRadicals", true));
|
|
||||||
|
|
|
||||||
Binary file not shown.
Binary file not shown.
Binary file not shown.
|
|
@ -1,23 +1,25 @@
|
||||||
/*--------------------------------*- C++ -*----------------------------------*\
|
/*--------------------------------*- C++ -*----------------------------------*\
|
||||||
| ========= | |
|
| ========= | |
|
||||||
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
|
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
|
||||||
| \\ / O peration | Version: 2.3.0 |
|
| \\ / O peration | Version: 4.x |
|
||||||
| \\ / A nd | Web: www.OpenFOAM.org |
|
| \\ / A nd | Web: www.OpenFOAM.org |
|
||||||
| \\/ M anipulation | |
|
| \\/ M anipulation | |
|
||||||
\*---------------------------------------------------------------------------*/
|
\*---------------------------------------------------------------------------*/
|
||||||
FoamFile
|
FoamFile
|
||||||
{
|
{
|
||||||
version 2.0;
|
version 2;
|
||||||
format ascii;
|
format ascii;
|
||||||
class dictionary;
|
class dictionary;
|
||||||
location "constant";
|
location "constant";
|
||||||
object fuelNitrogenMassFraction;
|
object SOxProperties;
|
||||||
}
|
}
|
||||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
|
||||||
|
|
||||||
|
fuelSourceNames ( reactingCloud1:rhoTrans_C7H16 );
|
||||||
|
|
||||||
Yn Yn [ 0 0 0 0 0 0 0 ] 0.01;
|
nitrogenMassInFuels (0.01);
|
||||||
|
|
||||||
|
instantaneousRadicals false; //true;
|
||||||
|
|
||||||
|
calculateFuelNOx true;
|
||||||
|
|
||||||
// ************************************************************************* //
|
// ************************************************************************* //
|
||||||
Binary file not shown.
Binary file not shown.
Binary file not shown.
|
|
@ -7,13 +7,19 @@
|
||||||
\*---------------------------------------------------------------------------*/
|
\*---------------------------------------------------------------------------*/
|
||||||
FoamFile
|
FoamFile
|
||||||
{
|
{
|
||||||
version 4.x;
|
version 2;
|
||||||
format ascii;
|
format ascii;
|
||||||
class dictionary;
|
class dictionary;
|
||||||
location "constant";
|
location "constant";
|
||||||
object fuelNitrogenMassFraction;
|
object SOxProperties;
|
||||||
}
|
}
|
||||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
|
||||||
|
|
||||||
|
fuelSourceNames ( reactingCloud1:rhoTrans_C7H16 );
|
||||||
|
|
||||||
instantaneousRadicals false; //true;
|
nitrogenMassInFuels (0.01);
|
||||||
|
|
||||||
|
instantaneousRadicals false; //true;
|
||||||
|
|
||||||
|
calculateFuelNOx true;
|
||||||
|
|
||||||
|
// ************************************************************************* //
|
||||||
|
|
@ -1,19 +0,0 @@
|
||||||
/*--------------------------------*- C++ -*----------------------------------*\
|
|
||||||
| ========= | |
|
|
||||||
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
|
|
||||||
| \\ / O peration | Version: 4.x |
|
|
||||||
| \\ / A nd | Web: www.OpenFOAM.org |
|
|
||||||
| \\/ M anipulation | |
|
|
||||||
\*---------------------------------------------------------------------------*/
|
|
||||||
FoamFile
|
|
||||||
{
|
|
||||||
version 4.x;
|
|
||||||
format ascii;
|
|
||||||
class dictionary;
|
|
||||||
location "constant";
|
|
||||||
object fuelNitrogenMassFraction;
|
|
||||||
}
|
|
||||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
|
||||||
|
|
||||||
|
|
||||||
instantaneousRadicals false; //true;
|
|
||||||
Loading…
Add table
Reference in a new issue