Add Cantera-related functions to solve chemistry and transport parameters

.gitignore

@@ -84,3 +84,23 @@ doc/Doxygen/DTAGS
 
 # Ignore the test directory
 /tutorialsTest
+
+#Ignore all tutorial files that are not configs, resources or scripts
+/tutorials
+
+!Allwmake
+!Alltest
+!Allclean
+!Allrun
+!*.yaml
+!*.cti
+!*Properties
+
+!/tutorials/resources/
+
+!/tutorials/**/system/
+!/tutorials/**/0/
+
+!/tutorials/**/constant/*reaction*
+!/tutorials/**/constant/*thermo*
+

applications/solvers/CTreactingFoam/CTreactingFoam.C

@@ -0,0 +1,135 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     | Website:  https://openfoam.org
+    \\  /    A nd           | Copyright (C) 2011-2018 OpenFOAM Foundation
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+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
+    reactingFoam
+
+Description
+    Solver for combustion with chemical reactions.
+
+\*---------------------------------------------------------------------------*/
+
+#include "fvCFD.H"
+#include "turbulentFluidThermoModel.H"
+#include "psiReactionThermo.H"
+#include "CombustionModel.H"
+#include "multivariateScheme.H"
+#include "pimpleControl.H"
+#include "pressureControl.H"
+#include "fvOptions.H"
+#include "localEulerDdtScheme.H"
+#include "fvcSmooth.H"
+#include "reactingMixture.H"
+#include "thermoPhysicsTypes.H"
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+int main(int argc, char *argv[])
+{
+    #include "postProcess.H"
+
+    #include "setRootCaseLists.H"
+    #include "createTime.H"
+    #include "createMesh.H"
+    #include "createControl.H"
+    #include "createTimeControls.H"
+    #include "initContinuityErrs.H"
+    #include "createFields.H"
+    #include "createFieldRefs.H"
+
+    turbulence->validate();
+
+    if (!LTS)
+    {
+        #include "compressibleCourantNo.H"
+        #include "setInitialDeltaT.H"
+    }
+
+    // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+    Info<< "\nStarting time loop\n" << endl;
+
+    while (runTime.run())
+    {
+        #include "readTimeControls.H"
+
+        if (LTS)
+        {
+            #include "setRDeltaT.H"
+        }
+        else
+        {
+            #include "compressibleCourantNo.H"
+            #include "setDeltaT.H"
+        }
+
+        runTime++;
+
+        Info<< "Time = " << runTime.timeName() << nl << endl;
+
+        #include "rhoEqn.H"
+
+        while (pimple.loop())
+        {
+            #include "UEqn.H"
+            #include "YEqn.H"
+            #include "EEqn.H"
+
+            // --- Pressure corrector loop
+            while (pimple.correct())
+            {
+                if (pimple.consistent())
+                {
+                    #include "pcEqn.H"
+                }
+                else
+                {
+                    #include "pEqn.H"
+                }
+            }
+
+            if (pimple.turbCorr())
+            {
+                turbulence->correct();
+            }
+        }
+
+        rho = thermo.rho();
+
+        runTime.write();
+
+        Info<< "ExecutionTime = " << runTime.elapsedCpuTime() << " s"
+            << "  ClockTime = " << runTime.elapsedClockTime() << " s"
+            << nl << endl;
+    }
+
+    #include "LewisNumber.H" 
+
+    Info<< "End\n" << endl;
+
+    return 0;
+}
+
+
+// ************************************************************************* //

applications/solvers/CTreactingFoam/EEqn.H

@@ -0,0 +1,47 @@
+{
+    volScalarField tempT = T; 
+    volScalarField& he = thermo.he();
+
+    fvScalarMatrix EEqn
+    (
+        fvm::ddt(rho, he) + mvConvection->fvmDiv(phi, he)
+      + fvc::ddt(rho, K) + fvc::div(phi, K)
+      + (
+            he.name() == "e"
+          ? fvc::div
+            (
+                fvc::absolute(phi/fvc::interpolate(rho), U),
+                p,
+                "div(phiv,p)"
+            )
+          : -dpdt
+        )
+      - fvm::laplacian(turbulence->alphaEff(), he)
+     ==
+        Qdot
+      + fvOptions(rho, he)
+    );
+
+    forAll(Y, k)
+    {
+        EEqn -= fvc::laplacian(turbulence->alphaEff()*hsi[k], Y[k]);
+        EEqn -= fvc::div(J[k], hsi[k], "div(Ji,hsi)");
+    }
+
+    EEqn.relax();
+
+    fvOptions.constrain(EEqn);
+
+    EEqn.solve();
+
+    fvOptions.correct(he);
+
+    thermo.correct();
+
+    Info << "min/max(T) = "
+         << min(T).value() << ", " << max(T).value() << endl;
+    // update oldT for CoDAC
+    //oldT = tempT;
+}
+
+

applications/solvers/CTreactingFoam/LewisNumber.H

@@ -0,0 +1,26 @@
+/*OFstream LewisNumber
+(
+    "LewisNumber.dat"
+);
+
+LewisNumber
+    << "species" << "      Lewis Number" << endl;
+
+forAll(mesh.cells(), celli)
+{
+    if ( abs( T[celli]-max(T).value() ) < 1.0e-20 )
+    {
+        forAll (Y, k)
+        {
+            scalar Diff =  dynamic_cast<const reactingMixture<gasHThermoPhysics>&>
+                              (composition).D(p, T, Y)[k][celli];
+            if (Diff > 1.0e-20) 
+            {
+                scalar Lewis = thermo.alpha()[celli]/Diff;
+                LewisNumber
+                << k << tab << tab << Lewis << endl;    
+            }
+
+        }
+    }
+}*/

applications/solvers/CTreactingFoam/Make/files

@@ -0,0 +1,3 @@
+CTreactingFoam.C
+
+EXE = $(FOAM_APPBIN)/CTreactingFoam

applications/solvers/CTreactingFoam/Make/options

@@ -0,0 +1,39 @@
+EXE_INC = \
+    -I$(LIB_SRC)/finiteVolume/lnInclude \
+    -I$(LIB_SRC)/meshTools/lnInclude \
+    -I$(LIB_SRC)/sampling/lnInclude \
+    -I$(LIB_SRC)/TurbulenceModels/turbulenceModels/lnInclude \
+    -I$(LIB_SRC)/TurbulenceModels/compressible/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/specie/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/reactionThermo/lnInclude \
+    -I$(LIB_SRC)/transportModels/compressible/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/basic/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/chemistryModel/lnInclude \
+    -I$(LIB_SRC)/ODE/lnInclude \
+    -I$(LIB_SRC)/combustionModels/lnInclude \
+    -I$(WM_CANTERA_DIR) \
+    -I$(WM_CANTERA_DIR)/cantera \
+    -I$(WM_CANTERA_DIR)/cantera/kinetics \
+    -I$(WM_CANTERA_DIR)/cantera/base \
+    -I$(WM_CANTERA_DIR)/cantera/transport \
+    -I$(WM_CANTERA_DIR)/cantera/thermo \
+    -I$(WM_CANTERA_DIR)/cantera/ext \
+    -I$(WM_CANTERA_DIR)/cantera/ext/fmt
+
+EXE_LIBS = \
+    -L$(FOAM_USER_LIBBIN) \
+    -lfiniteVolume \
+    -lmeshTools \
+    -lsampling \
+    -lturbulenceModels \
+    -lcompressibleTransportModels \
+    -lspecie \
+    -lfluidThermophysicalModels \
+    -lODE \
+    -lchemistryModel \
+    -lreactionThermophysicalModels \
+    -lcompressibleTurbulenceModels \
+    -lfvOptions \
+    -lcombustionModels \
+    -L$(CANTERA_LIB_PATH) \
+    -lcantera_shared

applications/solvers/CTreactingFoam/UEqn.H

@@ -0,0 +1,25 @@
+// Solve the Momentum equation
+
+MRF.correctBoundaryVelocity(U);
+
+tmp<fvVectorMatrix> tUEqn
+(
+    fvm::ddt(rho, U) + fvm::div(phi, U)
+  + MRF.DDt(rho, U)
+  + turbulence->divDevRhoReff(U)
+ ==
+    fvOptions(rho, U)
+);
+fvVectorMatrix& UEqn = tUEqn.ref();
+
+UEqn.relax();
+
+fvOptions.constrain(UEqn);
+
+if (pimple.momentumPredictor())
+{
+    solve(UEqn == -fvc::grad(p));
+
+    fvOptions.correct(U);
+    K = 0.5*magSqr(U);
+}