diffusivity model reads thermo...Properties to read transport parameters

createFields.H

@@ -13,7 +13,7 @@ PtrList<volScalarField>& Y = composition.Y();
 
 word inertSpecie(thermo.lookup("inertSpecie"));
 
-diffusivityModel diff();
+diffusivityModel diff(thermo);
 
 volScalarField rho
 (

diffusivityModel/diffusivityModel.C

@@ -25,6 +25,11 @@ License
 
 #include "diffusivityModel.H"
 
+#include "IFstream.H"
+#include "speciesTable.H"
+#include "volFieldsFwd.H"
+#include "scalarMatrices.H"
+
 // * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
 
 // const dataType Foam::diffusivityModel::staticData();
@@ -41,31 +46,73 @@ License
 
 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
 
-Foam::diffusivityModel::diffusivityModel()
+Foam::diffusivityModel::diffusivityModel(const psiReactionThermo& thermo)
 :
-    data_()
-{}
+    thermo_(thermo),
+    D_(thermo_.composition().species().size())
+{
+
+    const speciesTable &species_(thermo_.composition().species());
+
+    const volScalarField::Mesh &mesh = thermo_.composition().Y(0).mesh();
+
+    dictionary transports
+    (
+        IFstream
+        (
+            fileName(thermo_.lookup("foamTransportFile")).expand()
+        )()
+    );
 
 
-Foam::diffusivityModel::diffusivityModel(const scalar& data)
+    forAll(species_, i)
+    {
+        // transports[species_[i]];
+        Info << species_[i] << endl;
+        Info << thermo_.composition().W(i) << endl;
+        Info << thermo_.composition().Qc(i) << endl;
+        Info << thermo_.composition().z(i) << endl;
+        Info << readScalar(transports.subDict(species_[i]).subDict("transport")["As"]) << endl;
+    }
+/*
+*/
+
+    forAll(species_, i)
+    {
+        D_.set
+        (
+            i,
+            new volScalarField
+            (
+                IOobject
+                (
+                    "D." + species_[i],
+                    mesh.time().timeName(),
+                    mesh,
+                    IOobject::NO_READ,
+                    IOobject::AUTO_WRITE
+                ),
+                mesh,
+                dimensionedScalar("zero", dimArea/dimTime, 0.0)
+            )
+        );
+    }
+
+}
+
+Foam::diffusivityModel::diffusivityModel(const diffusivityModel& dm)
 :
-    data_(data)
-{}
-
-
-Foam::diffusivityModel::diffusivityModel(const diffusivityModel&)
-:
-    data_()
+    thermo_(dm.thermo_)
 {}
 
 
 // * * * * * * * * * * * * * * * * Selectors * * * * * * * * * * * * * * * * //
 
-Foam::autoPtr<Foam::diffusivityModel>
-Foam::diffusivityModel::New()
-{
-    return autoPtr<diffusivityModel>(new diffusivityModel);
-}
+// Foam::autoPtr<Foam::diffusivityModel>
+// Foam::diffusivityModel::New()
+// {
+//     return autoPtr<diffusivityModel>(new diffusivityModel);
+// }
 
 
 // * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
@@ -76,6 +123,41 @@ Foam::diffusivityModel::~diffusivityModel()
 
 // * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * * //
 
+void Foam::diffusivityModel::correct()
+{
+    const volScalarField &T = thermo_.T();
+    const volScalarField &p = thermo_.p();
+
+    const speciesTable &species_(thermo_.composition().species());
+
+    scalarSymmetricSquareMatrix Dij(species_.size());
+
+    forAll (species_, celli)
+    {
+        const scalar pi = p[celli];
+        const scalar Ti = T[celli];
+
+        label idx = 0;
+
+        forAll (species_, i)
+        {
+            for (label j = i; j < species_.size(); j++)
+            {
+                // Calculate Dij
+                // Dij[idx] = interactions[idx].D(pi,Ti);
+                Dij(i,j) = idx;
+                Dij(j,i) = Dij(i,j);
+                idx++;
+            }
+
+            // DMat = 0;
+
+        }
+    }
+
+    return;
+}
+
 
 // * * * * * * * * * * * * * * Member Operators  * * * * * * * * * * * * * * //
 

diffusivityModel/diffusivityModel.H

@@ -38,6 +38,7 @@ SourceFiles
 
 #include "scalar.H"
 #include "autoPtr.H"
+#include "psiReactionThermo.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
@@ -58,8 +59,11 @@ class diffusivityModel
 {
     // Private data
 
-        //- Description of data_
-        scalar data_;
+        //- Reference to thermo object
+        const psiReactionThermo& thermo_;
+
+        //- Mixture averaged diffusivities field
+        PtrList<volScalarField> D_;
 
 
     // Private Member Functions
@@ -81,11 +85,8 @@ public:
 
     // Constructors
 
-        //- Construct null
-        diffusivityModel();
-
-        //- Construct from components
-        diffusivityModel(const scalar& data);
+        //- Construct from mixture
+        diffusivityModel(const psiReactionThermo& thermo);
 
         //- Construct from Istream
         diffusivityModel(Istream&);
@@ -97,7 +98,7 @@ public:
     // Selectors
 
         //- Select null constructed
-        static autoPtr<diffusivityModel> New();
+        // static autoPtr<diffusivityModel> New();
 
 
     //- Destructor
@@ -106,6 +107,9 @@ public:
 
     // Member Functions
 
+        //- Correct diffusivities
+        void correct();
+
         // Access
 
         // Check