print mix avg D and mu over hard coded temperature range

testApp/Make/options

@@ -1,4 +1,5 @@
 EXE_INC = \
+    -I../diffusivityModel/diffusivityModel \
     -I$(LIB_SRC)/thermophysicalModels/specie/lnInclude \
     -I$(LIB_SRC)/thermophysicalModels/reactionThermo/lnInclude \
     -I$(LIB_SRC)/thermophysicalModels/basic/lnInclude \
@@ -12,6 +13,7 @@ EXE_LIBS = \
     -lchemistryModel \
     -lfiniteVolume \
     -lmeshTools \
+    -L$(FOAM_USER_LIBBIN) -ldiffusivityModel \
     -pthread \
     -lcantera \
     -lsundials_cvodes -lsundials_ida -lsundials_nvecserial \

testApp/chemFoam.C

@@ -43,6 +43,8 @@ Description
 #include "basicMultiComponentMixture.H"
 #include "cellModeller.H"
 
+#include "diffusivityModel.H"
+
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
 int main(int argc, char *argv[])
@@ -62,34 +64,58 @@ int main(int argc, char *argv[])
 
     // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-    Info<< "\nStarting time loop\n" << endl;
+    Info<< "\nCreate Cantera object\n" << endl;
 
     Cantera::IdealGasMix gas_ ("gri30.xml", "gri30_mix");
     Cantera::Transport *tr_ = Cantera::newTransportMgr("Mix", &gas_);
     label nCanteraSp_ = gas_.nSpecies();
 
-    scalarField XY(nCanteraSp_, 0.0);
+
+    Info<< "\nCreate temperature space\n" << endl;
 
     scalar Tl = 300;
     scalar Tu = 3000;
-    scalarField T01(100, 0.0);
-    forAll (T01, i)
+    scalarField T(100, 0.0);
+    forAll (T, i)
     {
-        T01[i] = i * (Tu - Tl) / 100. + Tl;
+        T[i] = i * (Tu - Tl) / scalar(T.size()) + Tl;
     }
 
+
+    // initialize composition array
+
+    scalarField XY(nCanteraSp_, 0.0);
     forAll(thermo.composition().species(), i)
     {
         XY[i] = Y[i][0];
     }
 
-    forAll(T01, i)
+
+    Info<< "\nTemperature Loop\n" << endl;
+
+    forAll(T, i)
     {
-        gas_.setState_TPY(T01[i], p0, XY.data());
-        Info << tr_->viscosity() << endl;
+        // OpenFOAM diffusivity model
+        thermo.T()[0] = T[i];
+        thermo.he() = thermo.he(p, thermo.T());
+        thermo.correct();
+        diff.correct();
+
+        // Cantera gas transport
+        gas_.setState_TPY(T[i], p0, XY.data());
+
+
+        scalarField Dc (composition.species().size(), 0.0);
+        tr_->getMixDiffCoeffsMass(Dc.data());
+
+        forAll(thermo.composition().species(), k)
+        {
+            Info << thermo.composition().species()[k] << tab << 100. * (diff.D(k)[0] - Dc[k]) / Dc[k] << endl;
+        }
+
+        Info << "mu" << tab << 100.*(diff.mu()[0] - tr_->viscosity())/tr_->viscosity() << endl;
     }
 
-    Info << "Number of steps = " << runTime.timeIndex() << endl;
     Info << "End" << nl << endl;
 
     return 0;

testApp/createFields.H

@@ -62,3 +62,5 @@
             0.0
         )
     );
+
+    diffusivityModel diff(thermo);