merge of thermo branch into master

src/OpenFOAM/Make/files

@@ -60,6 +60,10 @@ $(sha1)/SHA1Digest.C
 
 primitives/random/Random.C
 
+functions = primitives/functions
+$(functions)/Polynomial/makePolynomialsOrder7.C
+
+
 containers/HashTables/HashTable/HashTableName.C
 containers/HashTables/StaticHashTable/StaticHashTableName.C
 containers/Lists/SortableList/ParSortableListName.C

src/OpenFOAM/db/regIOobject/regIOobject.C

@@ -134,14 +134,26 @@ bool Foam::regIOobject::checkIn()
         // any mapping
         registered_ = db().checkIn(*this);
 
-        // checkin on defaultRegion is allowed to fail, since subsetted meshes
+        // check-in on defaultRegion is allowed to fail, since subsetted meshes
         // are created with the same name as their originating mesh
         if (!registered_ && debug && name() != polyMesh::defaultRegion)
         {
-            WarningIn("regIOobject::checkIn()")
-                << "failed to register object " << objectPath()
-                << " the name already exists in the objectRegistry"
-                << endl;
+            if (debug == 2)
+            {
+                // for ease of finding where attempted duplicate check-in
+                // originated
+                FatalErrorIn("regIOobject::checkIn()")
+                    << "failed to register object " << objectPath()
+                    << " the name already exists in the objectRegistry"
+                    << abort(FatalError);
+            }
+            else
+            {
+                WarningIn("regIOobject::checkIn()")
+                    << "failed to register object " << objectPath()
+                    << " the name already exists in the objectRegistry"
+                    << endl;
+            }
         }
     }
 

src/OpenFOAM/primitives/functions/Polynomial/Polynomial.C

@@ -0,0 +1,225 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
+     \\/     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 2 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, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+\*---------------------------------------------------------------------------*/
+
+#include "Polynomial.H"
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+template<int PolySize>
+Foam::Polynomial<PolySize>::Polynomial()
+:
+    VectorSpace<Polynomial<PolySize>, scalar, PolySize>(),
+    name_("unknownPolynomialName"),
+    logActive_(false),
+    logCoeff_(0.0)
+{}
+
+
+template<int PolySize>
+Foam::Polynomial<PolySize>::Polynomial(const word& name, Istream& is)
+:
+    VectorSpace<Polynomial<PolySize>, scalar, PolySize>(),
+    name_(is),
+    logActive_(false),
+    logCoeff_(0.0)
+{
+    if (name_ != name)
+    {
+        FatalErrorIn
+        (
+            "Polynomial<PolySize>::Polynomial(const word&, Istream&)"
+        )   << "Expected polynomial name " << name << " but read " << name_
+            << nl << exit(FatalError);
+    }
+
+    VectorSpace<Polynomial<PolySize>, scalar, PolySize>::
+        operator=(VectorSpace<Polynomial<PolySize>, scalar, PolySize>(is));
+
+    if (this->size() == 0)
+    {
+        FatalErrorIn
+        (
+            "Polynomial<PolySize>::Polynomial(const word&, Istream&)"
+        )   << "Polynomial coefficients for entry " << name_
+            << " are invalid (empty)" << nl << exit(FatalError);
+    }
+}
+
+
+template<int PolySize>
+Foam::Polynomial<PolySize>::Polynomial(const Polynomial<PolySize>& poly)
+:
+    VectorSpace<Polynomial<PolySize>, scalar, PolySize>(poly),
+    name_(poly.name_),
+    logActive_(poly.logActive_),
+    logCoeff_(poly.logCoeff_)
+{}
+
+
+template<int PolySize>
+Foam::Polynomial<PolySize>::Polynomial
+(
+    const word& name,
+    const Polynomial<PolySize>& poly
+)
+:
+    VectorSpace<Polynomial<PolySize>, scalar, PolySize>(poly),
+    name_(name),
+    logActive_(poly.logActive_),
+    logCoeff_(poly.logCoeff_)
+{}
+
+
+// * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
+
+template<int PolySize>
+Foam::Polynomial<PolySize>::~Polynomial()
+{}
+
+
+// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
+
+template<int PolySize>
+const Foam::word& Foam::Polynomial<PolySize>::name() const
+{
+    return name_;
+}
+
+
+template<int PolySize>
+bool& Foam::Polynomial<PolySize>::logActive()
+{
+    return logActive_;
+}
+
+
+template<int PolySize>
+Foam::scalar& Foam::Polynomial<PolySize>::logCoeff()
+{
+    return logCoeff_;
+}
+
+
+template<int PolySize>
+Foam::scalar Foam::Polynomial<PolySize>::evaluate(const scalar x) const
+{
+    scalar y = this->v_[0];
+
+    for (label i=1; i<PolySize; i++)
+    {
+        y += this->v_[i]*pow(x, i);
+    }
+
+    if (logActive_)
+    {
+        y += logCoeff_*log(x);
+    }
+
+    return y;
+}
+
+
+template<int PolySize>
+Foam::scalar Foam::Polynomial<PolySize>::integrateLimits
+(
+    const scalar x1,
+    const scalar x2
+) const
+{
+    if (logActive_)
+    {
+        FatalErrorIn
+        (
+            "scalar Polynomial<PolySize>::integrateLimits"
+            "("
+                "const scalar, "
+                "const scalar"
+            ") const"
+        )   << "Cannot integrate polynomial with logarithmic coefficients"
+            << nl << abort(FatalError);
+    }
+
+    intPolyType poly = this->integrate();
+
+    return poly.evaluate(x2) - poly.evaluate(x1);
+}
+
+
+template<int PolySize>
+typename Foam::Polynomial<PolySize>::intPolyType
+Foam::Polynomial<PolySize>::integrate(const scalar intConstant)
+{
+    intPolyType newCoeffs;
+
+    newCoeffs[0] = intConstant;
+    forAll(*this, i)
+    {
+        newCoeffs[i + 1] = this->v_[i]/(i + 1);
+    }
+
+    return newCoeffs;
+}
+
+
+template<int PolySize>
+typename Foam::Polynomial<PolySize>::polyType
+Foam::Polynomial<PolySize>::integrateMinus1(const scalar intConstant)
+{
+    polyType newCoeffs;
+
+    if (this->v_[0] > VSMALL)
+    {
+        newCoeffs.logActive() = true;
+        newCoeffs.logCoeff() = this->v_[0];
+    }
+
+    newCoeffs[0] = intConstant;
+
+    if (PolySize > 0)
+    {
+        for (label i=1; i<PolySize; i++)
+        {
+            newCoeffs[i] = this->v_[i]/i;
+        }
+    }
+
+    return newCoeffs;
+}
+
+
+// * * * * * * * * * * * * * * * Member Operators  * * * * * * * * * * * * * //
+
+template<int PolySize>
+void Foam::Polynomial<PolySize>::operator=(const Polynomial<PolySize>& poly)
+{
+    name_ = poly.name_;
+    VectorSpace<Polynomial<PolySize>, scalar, PolySize>::operator=(poly);
+    logActive_ = poly.logActive_;
+    logCoeff_ = poly.logCoeff_;
+}
+
+
+// ************************************************************************* //

src/OpenFOAM/primitives/functions/Polynomial/Polynomial.H

@@ -0,0 +1,198 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
+     \\/     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 2 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, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+Class
+    Foam::Polynomial
+
+Description
+    Polynomial templated on size (order):
+
+        poly = logCoeff*log(x) + sum(coeff_[i]*x^i)
+
+    where 0 <= i <= n
+
+    - integer powers, starting at zero
+    - evaluate(x) to evaluate the poly for a given value
+    - integrate(x1, x2) between two scalar values
+    - integrate() to return a new, intergated coeff polynomial
+      - increases the size (order)
+    - integrateMinus1() to return a new, integrated coeff polynomial where
+      the base poly starts at order -1
+
+SourceFiles
+    Polynomial.C
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef Polynomial_H
+#define Polynomial_H
+
+#include "word.H"
+#include "scalar.H"
+#include "Ostream.H"
+#include "VectorSpace.H"
+#include "Vector.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+// Forward declaration of classes
+template<int PolySize>
+class Polynomial;
+
+// Forward declaration of friend functions
+template<int PolySize>
+Ostream& operator<<
+(
+    Ostream&,
+    const Polynomial<PolySize>&
+);
+
+
+/*---------------------------------------------------------------------------*\
+                        Class Polynomial Declaration
+\*---------------------------------------------------------------------------*/
+
+template<int PolySize>
+class Polynomial
+:
+    public VectorSpace<Polynomial<PolySize>, scalar, PolySize>
+{
+private:
+
+    // Private data
+
+        //- Polynomial name
+        word name_;
+
+        //- Include the log term? - only activated using integrateMinus1()
+        bool logActive_;
+
+        //- Log coefficient - only activated using integrateMinus1()
+        scalar logCoeff_;
+
+
+public:
+
+    typedef Polynomial<PolySize> polyType;
+
+    typedef Polynomial<PolySize+1> intPolyType;
+
+    //- Run-time type information
+    TypeName("Polynomial")
+
+
+    // Constructors
+
+        //- Construct null
+        Polynomial();
+
+        //- Construct from name and Istream
+        Polynomial(const word& name, Istream& is);
+
+        //- Copy constructor
+        Polynomial(const Polynomial& poly);
+
+        //- Copy constructor with name
+        Polynomial(const word& name, const Polynomial& poly);
+
+
+    //- Destructor
+    ~Polynomial();
+
+
+    // Member Functions
+
+        // Access
+
+            //- Return const access to the polynomial name
+            const word& name() const;
+
+            //- Return access to the log term active flag
+            bool& logActive();
+
+            //- Return access to the log coefficient
+            scalar& logCoeff();
+
+
+        // Evaluation
+
+            //- Return polynomial value
+            scalar evaluate(const scalar x) const;
+
+            //- Return integrated polynomial coefficients
+            //  argument becomes zeroth element (constant of integration)
+            intPolyType integrate(const scalar intConstant = 0.0);
+
+            //- Return integrated polynomial coefficients when lowest order
+            //  is -1. Argument added to zeroth element
+            polyType integrateMinus1(const scalar intConstant = 0.0);
+
+            //- Integrate between two values
+            scalar integrateLimits(const scalar x1, const scalar x2) const;
+
+
+    // Member operators
+
+        void operator=(const Polynomial& poly);
+
+
+    //- Ostream Operator
+    friend Ostream& operator<< <PolySize>
+    (
+        Ostream&,
+        const Polynomial&
+    );
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#define makePolynomial(PolySize)                                             \
+                                                                             \
+defineTemplateTypeNameAndDebugWithName                                       \
+(                                                                            \
+    Polynomial<PolySize>,                                                    \
+    "Polynomial<"#PolySize">",                                               \
+    0                                                                        \
+)
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#ifdef NoRepository
+#   include "Polynomial.C"
+#   include "PolynomialIO.C"
+#endif
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //

src/OpenFOAM/primitives/functions/Polynomial/PolynomialIO.C

@@ -0,0 +1,52 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
+     \\/     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 2 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, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+\*---------------------------------------------------------------------------*/
+
+#include "Polynomial.H"
+
+// * * * * * * * * * * * * * * * IOstream Operators  * * * * * * * * * * * * //
+
+template<int PolySize>
+Foam::Ostream& Foam::operator<<
+(
+    Ostream& os,
+    const Polynomial<PolySize>& poly
+)
+{
+    os  << poly.name_ << token::SPACE
+        << static_cast
+            <VectorSpace<Polynomial<PolySize>, scalar, PolySize> >(poly);
+
+    // Check state of Ostream
+    os.check
+    (
+        "Ostream& operator<<(Ostream&, const Polynomial<PolySize>&)"
+    );
+
+    return os;
+}
+
+
+// ************************************************************************* //

src/OpenFOAM/primitives/functions/Polynomial/makePolynomialsOrder7.C

@@ -0,0 +1,51 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
+     \\/     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 2 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, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+\*---------------------------------------------------------------------------*/
+
+#include "Polynomial.H"
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+    makePolynomial(2);
+    makePolynomial(3);
+    makePolynomial(4);
+    makePolynomial(5);
+    makePolynomial(6);
+    makePolynomial(7);
+    makePolynomial(8);
+
+    // explicitly define max order + 1 to define the integrated form
+    defineTemplateTypeNameAndDebugWithName
+    (
+        Polynomial<9>,
+        "Polynomial<9>",
+        0
+    );
+}
+
+
+// ************************************************************************* //

src/finiteVolume/cfdTools/compressible/compressibleContinuityErrs.H

@@ -33,15 +33,11 @@ Description
 {
     dimensionedScalar totalMass = fvc::domainIntegrate(rho);
 
-    scalar sumLocalContErr = 
-    (
-        fvc::domainIntegrate(mag(rho - thermo->rho()))/totalMass
-    ).value();
+    scalar sumLocalContErr =
+        (fvc::domainIntegrate(mag(rho - thermo.rho()))/totalMass).value();
 
-    scalar globalContErr = 
-    (
-        fvc::domainIntegrate(rho - thermo->rho())/totalMass
-    ).value();
+    scalar globalContErr =
+        (fvc::domainIntegrate(rho - thermo.rho())/totalMass).value();
 
     cumulativeContErr += globalContErr;
 

src/finiteVolume/fvMatrices/fvMatrix/fvMatrix.C

@@ -1301,7 +1301,11 @@ Foam::tmp<Foam::fvMatrix<Type> > Foam::correction
 {
     tmp<Foam::fvMatrix<Type> > tAcorr = A - (A & A.psi());
 
-    if ((A.hasUpper() || A.hasLower()) && A.mesh().fluxRequired(A.psi().name()))
+    if
+    (
+        (A.hasUpper() || A.hasLower())
+     && A.psi().mesh().fluxRequired(A.psi().name())
+    )
     {
         tAcorr().faceFluxCorrectionPtr() = (-A.flux()).ptr();
     }
@@ -1321,7 +1325,11 @@ Foam::tmp<Foam::fvMatrix<Type> > Foam::correction
     // Note the matrix coefficients are still that of matrix A
     const fvMatrix<Type>& A = tAcorr();
 
-    if ((A.hasUpper() || A.hasLower()) && A.mesh().fluxRequired(A.psi().name()))
+    if
+    (
+        (A.hasUpper() || A.hasLower())
+     && A.psi().mesh().fluxRequired(A.psi().name())
+    )
     {
         tAcorr().faceFluxCorrectionPtr() = (-A.flux()).ptr();
     }

src/lagrangian/coalCombustion/CoalCloud/CoalCloud.C

@@ -35,7 +35,7 @@ Foam::CoalCloud<ThermoType>::CoalCloud
     const volScalarField& rho,
     const volVectorField& U,
     const dimensionedVector& g,
-    hCombustionThermo& thermo
+    basicThermo& thermo
 )
 :
     ReactingMultiphaseCloud<CoalParcel<ThermoType> >

src/lagrangian/coalCombustion/CoalCloud/CoalCloud.H

@@ -76,7 +76,7 @@ public:
             const volScalarField& rho,
             const volVectorField& U,
             const dimensionedVector& g,
-            hCombustionThermo& thermo
+            basicThermo& thermo
         );
 
 

src/lagrangian/coalCombustion/Make/options

@@ -10,7 +10,7 @@ EXE_INC = \
     -I$(LIB_SRC)/thermophysicalModels/liquidMixture/lnInclude \
     -I$(LIB_SRC)/thermophysicalModels/solids/lnInclude \
     -I$(LIB_SRC)/thermophysicalModels/solidMixture/lnInclude \
-    -I$(LIB_SRC)/thermophysicalModels/combustion/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/reactionThermo/lnInclude \
     -I$(LIB_SRC)/thermophysicalModels/radiation/lnInclude \
     -I$(LIB_SRC)/turbulenceModels \
     -I$(LIB_SRC)/turbulenceModels/compressible/turbulenceModel \
@@ -30,6 +30,6 @@ LIB_LIBS = \
     -lliquidMixture \
     -lsolids \
     -lsolidMixture \
-    -lcombustionThermophysicalModels \
+    -lreactionThermophysicalModels \
     -lcompressibleRASModels \
     -lcompressibleLESModels

src/lagrangian/coalCombustion/include/createCoalParcelTypes.H

@@ -28,7 +28,7 @@ License
 #define createCoalParcelTypes_H
 
 #include "makeParcelIOList.H"
-#include "reactingThermoTypes.H"
+#include "thermoPhysicsTypes.H"
 #include "CoalCloud.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@@ -38,12 +38,17 @@ License
     createCoalParcelThermoType                                                \
     (                                                                         \
         ParcelType,                                                           \
-        specieConstProperties                                                 \
+        constGasThermoPhysics                                                 \
     );                                                                        \
     createCoalParcelThermoType                                                \
     (                                                                         \
         ParcelType,                                                           \
-        specieReactingProperties                                              \
+        gasThermoPhysics                                                      \
+    );                                                                        \
+    createCoalParcelThermoType                                                \
+    (                                                                         \
+        ParcelType,                                                           \
+        icoPoly8ThermoPhysics                                                 \
     );
 
 

src/lagrangian/coalCombustion/include/makeCoalParcelSurfaceReactionModels.H

@@ -29,7 +29,7 @@ License
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-#include "reactingThermoTypes.H"
+#include "thermoPhysicsTypes.H"
 #include "ReactingMultiphaseCloud.H"
 
 #include "NoSurfaceReaction.H"
@@ -44,12 +44,17 @@ License
     makeCoalSurfaceReactionModelThermoType                                    \
     (                                                                         \
         ParcelType,                                                           \
-        specieConstProperties                                                 \
+        constGasThermoPhysics                                                 \
     );                                                                        \
     makeCoalSurfaceReactionModelThermoType                                    \
     (                                                                         \
         ParcelType,                                                           \
-        specieReactingProperties                                              \
+        gasThermoPhysics                                                      \
+    );                                                                        \
+    makeCoalSurfaceReactionModelThermoType                                    \
+    (                                                                         \
+        ParcelType,                                                           \
+        icoPoly8ThermoPhysics                                                 \
     );
 
 

src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationDiffusionLimitedRate/COxidationDiffusionLimitedRate.C

@@ -50,10 +50,10 @@ Foam::COxidationDiffusionLimitedRate<CloudType>::COxidationDiffusionLimitedRate
     CsLocalId_ = owner.composition().localId(idSolid, "C");
 
     // Set local copies of thermo properties
-    WO2_ = owner.composition().carrierSpecies()[O2GlobalId_].W();
-    scalar WCO2 = owner.composition().carrierSpecies()[CO2GlobalId_].W();
+    WO2_ = owner.mcCarrierThermo().speciesData()[O2GlobalId_].W();
+    scalar WCO2 = owner.mcCarrierThermo().speciesData()[CO2GlobalId_].W();
     WC_ = WCO2 - WO2_;
-    HcCO2_ = owner.composition().carrierSpecies()[CO2GlobalId_].Hc();
+    HcCO2_ = owner.mcCarrierThermo().speciesData()[CO2GlobalId_].Hc();
 
     if (Sb_ < 0)
     {
@@ -120,8 +120,7 @@ Foam::scalar Foam::COxidationDiffusionLimitedRate<CloudType>::calculate
     }
 
     // Local mass fraction of O2 in the carrier phase
-    const scalar YO2 =
-        this->owner().carrierThermo().composition().Y(O2GlobalId_)[cellI];
+    const scalar YO2 = this->owner().mcCarrierThermo().Y(O2GlobalId_)[cellI];
 
     // Change in C mass [kg]
     scalar dmC =

src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationKineticDiffusionLimitedRate/COxidationKineticDiffusionLimitedRate.C

@@ -58,10 +58,10 @@ COxidationKineticDiffusionLimitedRate
     CsLocalId_ = owner.composition().localId(idSolid, "C");
 
     // Set local copies of thermo properties
-    WO2_ = owner.composition().carrierSpecies()[O2GlobalId_].W();
-    scalar WCO2 = owner.composition().carrierSpecies()[CO2GlobalId_].W();
+    WO2_ = owner.mcCarrierThermo().speciesData()[O2GlobalId_].W();
+    scalar WCO2 = owner.mcCarrierThermo().speciesData()[CO2GlobalId_].W();
     WC_ = WCO2 - WO2_;
-    HcCO2_ = owner.composition().carrierSpecies()[CO2GlobalId_].Hc();
+    HcCO2_ = owner.mcCarrierThermo().speciesData()[CO2GlobalId_].Hc();
 
     if (Sb_ < 0)
     {
@@ -128,8 +128,7 @@ Foam::scalar Foam::COxidationKineticDiffusionLimitedRate<CloudType>::calculate
     }
 
     // Local mass fraction of O2 in the carrier phase
-    const scalar YO2 =
-        this->owner().carrierThermo().composition().Y(O2GlobalId_)[cellI];
+    const scalar YO2 = this->owner().mcCarrierThermo().Y(O2GlobalId_)[cellI];
 
     // Diffusion rate coefficient
     const scalar D0 = C1_/d*pow(0.5*(T + Tc), 0.75);

src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationMurphyShaddix/COxidationMurphyShaddix.C

@@ -69,8 +69,8 @@ Foam::COxidationMurphyShaddix<CloudType>::COxidationMurphyShaddix
     CsLocalId_ = owner.composition().localId(idSolid, "C");
 
     // Set local copies of thermo properties
-    WO2_ = owner.composition().carrierSpecies()[O2GlobalId_].W();
-    scalar WCO2 = owner.composition().carrierSpecies()[CO2GlobalId_].W();
+    WO2_ = owner.mcCarrierThermo().speciesData()[O2GlobalId_].W();
+    scalar WCO2 = owner.mcCarrierThermo().speciesData()[CO2GlobalId_].W();
     WC_ = WCO2 - WO2_;
 }
 
@@ -125,7 +125,7 @@ Foam::scalar Foam::COxidationMurphyShaddix<CloudType>::calculate
 
     // Cell carrier phase O2 species density [kg/m^3]
     const scalar rhoO2 =
-        rhoc*this->owner().carrierThermo().composition().Y(O2GlobalId_)[cellI];
+        rhoc*this->owner().mcCarrierThermo().Y(O2GlobalId_)[cellI];
 
     if (rhoO2 < SMALL)
     {
@@ -211,9 +211,9 @@ Foam::scalar Foam::COxidationMurphyShaddix<CloudType>::calculate
         this->owner().composition().solids().properties()[CsLocalId_].Hf()
       + this->owner().composition().solids().properties()[CsLocalId_].cp()*T;
     const scalar HCO2 =
-        this->owner().composition().carrierSpecies()[CO2GlobalId_].H(T);
+        this->owner().mcCarrierThermo().speciesData()[CO2GlobalId_].H(T);
     const scalar HO2 =
-        this->owner().composition().carrierSpecies()[O2GlobalId_].H(T);
+        this->owner().mcCarrierThermo().speciesData()[O2GlobalId_].H(T);
 
     // Heat of reaction
     return dOmega*(WC_*HC + WO2_*HO2 - (WC_ + WO2_)*HCO2);

src/lagrangian/dieselSpray/Make/options

@@ -11,7 +11,7 @@ EXE_INC = \
     -I$(LIB_SRC)/thermophysicalModels/liquidMixture/lnInclude \
     -I$(LIB_SRC)/thermophysicalModels/thermophysicalFunctions/lnInclude \
     -I$(LIB_SRC)/thermophysicalModels/specie/lnInclude \
-    -I$(LIB_SRC)/thermophysicalModels/combustion/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/reactionThermo/lnInclude \
     -I$(LIB_SRC)/thermophysicalModels/pdfs/lnInclude
 
 LIB_LIBS = \

src/lagrangian/dieselSpray/parcel/parcel.C

@@ -34,15 +34,14 @@ License
 #include "wallPolyPatch.H"
 #include "wedgePolyPatch.H"
 #include "processorPolyPatch.H"
-#include "combustionMixture.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+#include "basicMultiComponentMixture.H"
 
 // * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
+
 namespace Foam
 {
-defineParticleTypeNameAndDebug(parcel, 0);
-defineTemplateTypeNameAndDebug(Cloud<parcel>, 0);
+    defineParticleTypeNameAndDebug(parcel, 0);
+    defineTemplateTypeNameAndDebug(Cloud<parcel>, 0);
 }
 
 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //

src/lagrangian/dieselSpray/parcel/setRelaxationTimes.C

@@ -30,7 +30,7 @@ License
 #include "dragModel.H"
 #include "evaporationModel.H"
 #include "heatTransferModel.H"
-#include "combustionMixture.H"
+#include "basicMultiComponentMixture.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
@@ -93,7 +93,7 @@ void parcel::setRelaxationTimes
     for(label i=0; i<Nf; i++)
     {
         label j = sDB.liquidToGasIndex()[i];
-        scalar Y = sDB.composition().Y()[j][celli];        
+        scalar Y = sDB.composition().Y()[j][celli];
         scalar Wi = sDB.gasProperties()[j].W();
         Yf[i] = Y;
         Xf[i] = Y*W/Wi;
@@ -139,14 +139,14 @@ void parcel::setRelaxationTimes
     scalar Prandtl = Pr(cpMixture, muf, kMixture);
 
     // calculate the characteritic times
-      
+
     if(liquidCore_> 0.5)
     {
 //      no drag for parcels in the liquid core..
         tauMomentum = GREAT;
     }
     else
-    {    
+    {
         tauMomentum = sDB.drag().relaxationTime
         (
             Urel(Up),
@@ -218,10 +218,10 @@ void parcel::setRelaxationTimes
             {
                 scalar Nusselt =
                     sDB.heatTransfer().Nu(Reynolds, Prandtl);
-                
+
 //              calculating the boiling temperature of the liquid at ambient pressure
                 scalar tBoilingSurface = Td;
-                
+
                 label Niter = 0;
                 scalar deltaT = 10.0;
                 scalar dp0 = fuels.properties()[i].pv(pressure, tBoilingSurface) - pressure;
@@ -255,16 +255,16 @@ void parcel::setRelaxationTimes
                     }
                     dp0 = dp;
                 }
-                
+
                 scalar vapourSurfaceEnthalpy = 0.0;
                 scalar vapourFarEnthalpy = 0.0;
-                
+
                 for(label k = 0; k < sDB.gasProperties().size(); k++)
                 {
                     vapourSurfaceEnthalpy += sDB.composition().Y()[k][celli]*sDB.gasProperties()[k].H(tBoilingSurface);
                     vapourFarEnthalpy += sDB.composition().Y()[k][celli]*sDB.gasProperties()[k].H(temperature);
                 }
-               
+
                 scalar kLiquid = fuels.properties()[i].K(pressure, 0.5*(tBoilingSurface+T()));
 
                 tauBoiling[i] = sDB.evaporation().boilingTime

src/lagrangian/dieselSpray/spray/spray.C

@@ -36,7 +36,7 @@ License
 #include "injectorModel.H"
 #include "wallModel.H"
 
-#include "combustionMixture.H"
+#include "basicMultiComponentMixture.H"
 
 #include "symmetryPolyPatch.H"
 #include "wedgePolyPatch.H"
@@ -56,8 +56,8 @@ Foam::spray::spray
     const volScalarField& rho,
     const volScalarField& p,
     const volScalarField& T,
-    const combustionMixture& composition,
-    const PtrList<specieProperties>& gasProperties,
+    const basicMultiComponentMixture& composition,
+    const PtrList<gasThermoPhysics>& gasProperties,
     const dictionary&,
     const dictionary& environmentalProperties
 )
@@ -264,7 +264,7 @@ Foam::spray::spray
                 "spray::spray(const volVectorField& U, "
                 "const volScalarField& rho, const volScalarField& p, "
                 "const volScalarField& T, const combustionMixture& composition,"
-                "const PtrList<specieProperties>& gaseousFuelProperties, "
+                "const PtrList<gasThermoPhsyics>& gaseousFuelProperties, "
                 "const dictionary& thermophysicalProperties, "
                 "const dictionary& environmentalProperties)"
             )   << "spray::(...) only one wedgePolyPatch found. "

src/lagrangian/dieselSpray/spray/spray.H

@@ -38,10 +38,10 @@ Description
 #include "IOPtrList.H"
 #include "interpolation.H"
 #include "liquid.H"
-#include "sprayThermoTypes.H"
 #include "autoPtr.H"
 #include "liquidMixture.H"
 #include "Random.H"
+#include "thermoPhysicsTypes.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
@@ -58,7 +58,7 @@ class injectorModel;
 class heatTransferModel;
 class wallModel;
 
-class combustionMixture;
+class basicMultiComponentMixture;
 
 /*---------------------------------------------------------------------------*\
                         Class spray Declaration
@@ -127,8 +127,8 @@ class spray
 
         // Composition properties
 
-            const PtrList<specieProperties>& gasProperties_;
-            const combustionMixture& composition_;
+            const PtrList<gasThermoPhysics>& gasProperties_;
+            const basicMultiComponentMixture& composition_;
 
             List<label> liquidToGasIndex_;
             List<label> gasToLiquidIndex_;
@@ -192,8 +192,8 @@ public:
             const volScalarField& rho,
             const volScalarField& p,
             const volScalarField& T,
-            const combustionMixture& composition,
-            const PtrList<specieProperties>& gasProperties,
+            const basicMultiComponentMixture& composition,
+            const PtrList<gasThermoPhysics>& gasProperties,
             const dictionary& thermophysicalProperties,
             const dictionary& environmentalProperties
         );
@@ -257,8 +257,8 @@ public:
             inline const vector& g() const;
 
             inline const liquidMixture& fuels() const;
-            inline const PtrList<specieProperties>& gasProperties() const;
-            inline const combustionMixture& composition() const;
+            inline const PtrList<gasThermoPhysics>& gasProperties() const;
+            inline const basicMultiComponentMixture& composition() const;
 
             inline const List<label>& liquidToGasIndex() const;
             inline const List<label>& gasToLiquidIndex() const;

src/lagrangian/dieselSpray/spray/sprayI.H

@@ -36,71 +36,85 @@ inline const Time& spray::runTime() const
     return runTime_;
 }
 
+
 inline const fvMesh& spray::mesh() const
 {
     return mesh_;
 }
 
+
 inline const volVectorField& spray::U() const
 {
     return U_;
 }
 
+
 inline const volScalarField& spray::rho() const
 {
     return rho_;
 }
 
+
 inline const volScalarField& spray::p() const
 {
     return p_;
 }
 
+
 inline const volScalarField& spray::T() const
 {
     return T_;
 }
 
+
 inline PtrList<injector>& spray::injectors()
 {
     return injectors_;
 }
 
+
 inline const PtrList<injector>& spray::injectors() const
 {
     return injectors_;
 }
 
+
 inline const atomizationModel& spray::atomization() const
 {
     return atomization_;
 }
 
+
 inline const breakupModel& spray::breakup() const
 {
     return breakupModel_;
 }
 
+
 inline const collisionModel& spray::collisions() const
 {
     return collisionModel_;
 }
 
+
 inline const dispersionModel& spray::dispersion() const
 {
     return dispersionModel_;
 }
 
+
 inline const dragModel& spray::drag() const
 {
     return drag_;
 }
 
+
 inline const evaporationModel& spray::evaporation() const
 {
     return evaporation_;
 }
 
+
 inline const heatTransferModel& spray::heatTransfer() const
 {
     return heatTransfer_;
@@ -112,11 +126,13 @@ inline const injectorModel& spray::injection() const
     return injectorModel_;
 }
 
+
 inline const wallModel& spray::wall() const
 {
     return wall_;
 }
 
+
 inline tmp<volVectorField> spray::momentumSource() const
 {
     tmp<volVectorField> tsource
@@ -146,6 +162,7 @@ inline tmp<volVectorField> spray::momentumSource() const
     return tsource;
 }
 
+
 inline tmp<volScalarField> spray::evaporationSource(const label si) const
 {
     tmp<volScalarField> tsource
@@ -179,6 +196,7 @@ inline tmp<volScalarField> spray::evaporationSource(const label si) const
     return tsource;
 }
 
+
 inline tmp<volScalarField> spray::heatTransferSource() const
 {
     tmp<volScalarField> tsource
@@ -209,6 +227,7 @@ inline Random& spray::rndGen()
     return rndGen_;
 }
 
+
 inline label spray::subCycles() const
 {
     return subCycles_;
@@ -226,81 +245,97 @@ inline const liquidMixture& spray::fuels() const
     return fuels_;
 }
 
-inline const PtrList<specieProperties>& spray::gasProperties() const
+
+inline const PtrList<gasThermoPhysics>& spray::gasProperties() const
 {
     return gasProperties_;
 }
 
-inline const combustionMixture& spray::composition() const
+
+inline const basicMultiComponentMixture& spray::composition() const
 {
     return composition_;
 }
 
+
 inline const List<label>& spray::liquidToGasIndex() const
 {
     return liquidToGasIndex_;
 }
 
+
 inline const List<label>& spray::gasToLiquidIndex() const
 {
     return gasToLiquidIndex_;
 }
 
+
 inline const List<bool>& spray::isLiquidFuel() const
 {
     return isLiquidFuel_;
 }
 
+
 inline const bool& spray::twoD() const
 {
     return twoD_;
 }
 
+
 inline const vector& spray::axisOfSymmetry() const
 {
     return axisOfSymmetry_;
 }
 
+
 inline const vector& spray::axisOfWedge() const
 {
     return axisOfWedge_;
 }
 
+
 inline const vector& spray::axisOfWedgeNormal() const
 {
     return axisOfWedgeNormal_;
 }
 
+
 inline const scalar& spray::angleOfWedge() const
 {
     return angleOfWedge_;
 }
 
+
 inline const interpolation<vector>& spray::UInterpolator() const
 {
     return UInterpolator_;
 }
 
+
 inline const interpolation<scalar>& spray::rhoInterpolator() const
 {
     return rhoInterpolator_;
 }
 
+
 inline const interpolation<scalar>& spray::pInterpolator() const
 {
     return pInterpolator_;
 }
 
+
 inline const interpolation<scalar>& spray::TInterpolator() const
 {
     return TInterpolator_;
 }
 
+
 inline vectorField& spray::sms()
 {
     return sms_;
 }
 
+
 inline const vectorField& spray::sms() const
 {
     return sms_;
@@ -312,6 +347,7 @@ inline scalarField& spray::shs()
     return shs_;
 }
 
+
 inline const scalarField& spray::shs() const
 {
     return shs_;
@@ -323,16 +359,19 @@ inline PtrList<scalarField>& spray::srhos()
     return srhos_;
 }
 
+
 inline const PtrList<scalarField>& spray::srhos() const
 {
     return srhos_;
 }
 
+
 inline const scalar& spray::ambientPressure() const
 {
     return ambientPressure_;
 }
 
+
 inline const scalar& spray::ambientTemperature() const
 {
     return ambientTemperature_;

src/lagrangian/dieselSpray/spraySubModels/atomizationModel/LISA/LISA.C

@@ -28,7 +28,7 @@ License
 
 #include "LISA.H"
 #include "addToRunTimeSelectionTable.H"
-#include "combustionMixture.H"
+#include "basicMultiComponentMixture.H"
 
 #include "RosinRammler.H"
 
@@ -84,7 +84,7 @@ void LISA::atomizeParcel
 ) const
 {
 
-   
+
     const PtrList<volScalarField>& Y = spray_.composition().Y();
 
     label Ns = Y.size();
@@ -98,7 +98,7 @@ void LISA::atomizeParcel
     {
         Winv += Y[i][cellI]/spray_.gasProperties()[i].W();
     }
-    
+
     scalar R = specie::RR*Winv;
 
     // ideal gas law to evaluate density
@@ -113,31 +113,31 @@ void LISA::atomizeParcel
     scalar WeberNumber = p.We(vel, rhoAverage, sigma);
 
     scalar tau = 0.0;
-    scalar dL = 0.0;   
+    scalar dL = 0.0;
     scalar k = 0.0;
     scalar muFuel = fuels.mu(pressure, p.T(), p.X());
     scalar rhoFuel = fuels.rho(1.0e+5, p.T(), p.X());
     scalar nuFuel = muFuel/rhoFuel;
 
     vector uDir = p.U()/mag(p.U());
-    
+
     scalar uGas = mag(vel & uDir);
     vector Ug = uGas*uDir;
 
-/*  
+/*
     TL
     It might be the relative velocity between Liquid and Gas, but I use the
-    absolute velocity of the parcel as suggested by the authors    
+    absolute velocity of the parcel as suggested by the authors
 */
-    
+
 //    scalar U = mag(p.Urel(vel));
     scalar U = mag(p.U());
-    
+
     p.ct() += deltaT;
 
     scalar Q = rhoAverage/rhoFuel;
 
-    const injectorType& it = 
+    const injectorType& it =
         spray_.injectors()[label(p.injector())].properties();
 
     if (it.nHoles() > 1)
@@ -150,38 +150,38 @@ void LISA::atomizeParcel
     scalar pWalk = mag(p.position() - itPosition);
 
 //  Updating liquid sheet tickness... that is the droplet diameter
- 
+
     const vector direction = it.direction(0, spray_.runTime().value());
-    
+
     scalar h = (p.position() - itPosition) & direction;
 
     scalar d = sqrt(sqr(pWalk)-sqr(h));
-    
+
     scalar time = pWalk/mag(p.U());
-       
+
     scalar elapsedTime = spray_.runTime().value();
-    
+
     scalar massFlow = it.massFlowRate(max(0.0,elapsedTime-time));
-    
-    scalar hSheet = massFlow/(mathematicalConstant::pi*d*rhoFuel*mag(p.U()));    
-    
+
+    scalar hSheet = massFlow/(mathematicalConstant::pi*d*rhoFuel*mag(p.U()));
+
     p.d() = min(hSheet,p.d());
 
     if(WeberNumber > 27.0/16.0)
     {
-               
+
         scalar kPos = 0.0;
         scalar kNeg = Q*pow(U, 2.0)*rhoFuel/sigma;
-               
+
         scalar derivativePos = sqrt
         (
             Q*pow(U,2.0)
-        );   
-        
-        scalar derivativeNeg =    
+        );
+
+        scalar derivativeNeg =
         (
-            8.0*pow(nuFuel, 2.0)*pow(kNeg, 3.0) 
-            + Q*pow(U, 2.0)*kNeg 
+            8.0*pow(nuFuel, 2.0)*pow(kNeg, 3.0)
+            + Q*pow(U, 2.0)*kNeg
             - 3.0*sigma/2.0/rhoFuel*pow(kNeg, 2.0)
         )
         /
@@ -189,23 +189,23 @@ void LISA::atomizeParcel
         (
             4.0*pow(nuFuel, 2.0)*pow(kNeg, 4.0)
             + Q*pow(U, 2.0)*pow(kNeg, 2.0)
-            - sigma*pow(kNeg, 3.0)/rhoFuel 
+            - sigma*pow(kNeg, 3.0)/rhoFuel
         )
         -
         4.0*nuFuel*kNeg;
 
-        scalar kOld = 0.0;        
+        scalar kOld = 0.0;
+
 
-       
         for(label i=0; i<40; i++)
         {
 
             k = kPos - (derivativePos/((derivativeNeg-derivativePos)/(kNeg-kPos)));
-           
-            scalar derivativek = 
+
+            scalar derivativek =
             (
-                8.0*pow(nuFuel, 2.0)*pow(k, 3.0) 
-                + Q*pow(U, 2.0)*k 
+                8.0*pow(nuFuel, 2.0)*pow(k, 3.0)
+                + Q*pow(U, 2.0)*k
                 - 3.0*sigma/2.0/rhoFuel*pow(k, 2.0)
             )
             /
@@ -213,10 +213,10 @@ void LISA::atomizeParcel
             (
                 4.0*pow(nuFuel, 2.0)*pow(k, 4.0)
                 + Q*pow(U, 2.0)*pow(k, 2.0)
-                - sigma*pow(k, 3.0)/rhoFuel 
+                - sigma*pow(k, 3.0)/rhoFuel
             )
             -
-            4.0*nuFuel*k;            
+            4.0*nuFuel*k;
 
             if(derivativek > 0)
             {
@@ -228,17 +228,17 @@ void LISA::atomizeParcel
                 derivativeNeg = derivativek;
                 kNeg = k;
             }
-            
+
             if(mag(k-kOld)/k < 1e-4)
             {
                 break;
             }
-            
+
             kOld = k;
-                       
+
         }
-        
-        scalar omegaS = 
+
+        scalar omegaS =
         - 2.0 * nuFuel * pow(k, 2.0)
         + sqrt
         (
@@ -246,22 +246,22 @@ void LISA::atomizeParcel
             +   Q*pow(U, 2.0)*pow(k, 2.0)
             -   sigma*pow(k, 3.0)/rhoFuel
         );
-        
-        tau = cTau_/omegaS;        
-                       
+
+        tau = cTau_/omegaS;
+
         dL = sqrt(8.0*p.d()/k);
 
     }
     else
     {
-                
-        k = 
+
+        k =
         rhoAverage*pow(U, 2.0)
         /
         2.0*sigma;
-        
+
         scalar J = pWalk*p.d()/2.0;
-        
+
         tau = pow(3.0*cTau_,2.0/3.0)*cbrt(J*sigma/(sqr(Q)*pow(U,4.0)*rhoFuel));
 
         dL = sqrt(4.0*p.d()/k);
@@ -269,78 +269,78 @@ void LISA::atomizeParcel
 
 
 
-    scalar kL = 
+    scalar kL =
         1.0
         /
         (
-            dL * 
+            dL *
             pow(0.5 + 1.5 * muFuel/pow((rhoFuel*sigma*dL), 0.5), 0.5)
         );
 
-    scalar dD = cbrt(3.0*mathematicalConstant::pi*pow(dL, 2.0)/kL);     
-    
+    scalar dD = cbrt(3.0*mathematicalConstant::pi*pow(dL, 2.0)/kL);
+
     scalar lisaExp = 0.27;
     scalar ambientPressure = 1.0e+5;
-    
+
     scalar pRatio = spray_.ambientPressure()/ambientPressure;
-    
+
     dD = dD*pow(pRatio,lisaExp);
 
 //  modifications to take account of the flash boiling on primary breakUp
 
     scalar pExp = 0.135;
-       
+
     scalar chi = 0.0;
-    
-    label Nf = fuels.components().size();        
+
+    label Nf = fuels.components().size();
 
     scalar Td = p.T();
-                
+
     for(label i = 0; i < Nf ; i++)
     {
-    
+
         if(fuels.properties()[i].pv(spray_.ambientPressure(), Td) >= 0.999*spray_.ambientPressure())
         {
 
 //          The fuel is boiling.....
-//          Calculation of the boiling temperature            
-            
+//          Calculation of the boiling temperature
+
             scalar tBoilingSurface = Td;
-            
+
             label Niter = 200;
-            
+
             for(label k=0; k< Niter ; k++)
             {
                 scalar pBoil = fuels.properties()[i].pv(pressure, tBoilingSurface);
-            
+
                 if(pBoil > pressure)
                 {
-                    tBoilingSurface = tBoilingSurface - (Td-temperature)/Niter;   
+                    tBoilingSurface = tBoilingSurface - (Td-temperature)/Niter;
                 }
                 else
                 {
                     break;
                 }
             }
-            
+
             scalar hl = fuels.properties()[i].hl(spray_.ambientPressure(), tBoilingSurface);
             scalar iTp = fuels.properties()[i].h(spray_.ambientPressure(), Td) - spray_.ambientPressure()/fuels.properties()[i].rho(spray_.ambientPressure(), Td);
             scalar iTb = fuels.properties()[i].h(spray_.ambientPressure(), tBoilingSurface) - spray_.ambientPressure()/fuels.properties()[i].rho(spray_.ambientPressure(), tBoilingSurface);
-            
+
             chi += p.X()[i]*(iTp-iTb)/hl;
-                   
+
         }
-    }    
-    
+    }
+
     //  bounding chi
-    
+
     chi = max(chi, 0.0);
     chi = min(chi, 1.0);
-    
+
     //  modifing dD to take account of flash boiling
-    
+
     dD = dD*(1.0 - chi*pow(pRatio, -pExp));
-    
+
     scalar lBU = Cl_ * mag(p.U())*tau;
 
     if(pWalk > lBU)
@@ -349,7 +349,7 @@ void LISA::atomizeParcel
         p.liquidCore() = 0.0;
 
 //      calculate the new diameter with a Rosin Rammler distribution
-     
+
         scalar minValue = min(p.d(),dD/10.0);
 
         scalar maxValue = dD;
@@ -357,30 +357,30 @@ void LISA::atomizeParcel
         if(maxValue - minValue < SMALL)
         {
             minValue = p.d()/10.0;
-        }     
-     
+        }
+
         scalar range = maxValue - minValue;
-      
+
         scalar y = 0;
         scalar x = 0;
 
         bool success = false;
-                              
+
         while(!success)
         {
-        
+
             x = minValue + range*rndGen_.scalar01();
             y = rndGen_.scalar01();
 
             scalar p = 0.0;
-        
+
             scalar nExp = 1;
-                                                                                          
+
             scalar xx = pow(x/dD, nExp);
 
             p = xx*exp(-xx);
 
-            if (y<p) 
+            if (y<p)
             {
                 success = true;
             }
@@ -388,13 +388,13 @@ void LISA::atomizeParcel
         }
 
 //  New droplet diameter
-    
+
         p.d() = x;
         p.ct() = 0.0;
-                            
-    }           
-        
-    
+
+    }
+
+
 }
 
 

src/lagrangian/dieselSpray/spraySubModels/atomizationModel/blobsSheetAtomization/blobsSheetAtomization.C

@@ -28,7 +28,7 @@ License
 
 #include "blobsSheetAtomization.H"
 #include "addToRunTimeSelectionTable.H"
-#include "combustionMixture.H"
+#include "basicMultiComponentMixture.H"
 
 #include "RosinRammler.H"
 

src/lagrangian/dieselSpray/spraySubModels/atomizationModel/noAtomization/noAtomization.C

@@ -28,7 +28,7 @@ License
 
 #include "noAtomization.H"
 #include "addToRunTimeSelectionTable.H"
-#include "combustionMixture.H"
+#include "basicMultiComponentMixture.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 

src/lagrangian/dieselSpray/spraySubModels/breakupModel/reitzDiwakar/reitzDiwakar.C

@@ -28,7 +28,7 @@ License
 
 #include "reitzDiwakar.H"
 #include "addToRunTimeSelectionTable.H"
-#include "combustionMixture.H"
+#include "basicMultiComponentMixture.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 

src/lagrangian/intermediate/Make/options

@@ -9,7 +9,7 @@ EXE_INC = \
     -I$(LIB_SRC)/thermophysicalModels/liquidMixture/lnInclude \
     -I$(LIB_SRC)/thermophysicalModels/solids/lnInclude \
     -I$(LIB_SRC)/thermophysicalModels/solidMixture/lnInclude \
-    -I$(LIB_SRC)/thermophysicalModels/combustion/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/reactionThermo/lnInclude \
     -I$(LIB_SRC)/thermophysicalModels/radiation/lnInclude \
     -I$(LIB_SRC)/turbulenceModels \
     -I$(LIB_SRC)/turbulenceModels/compressible/turbulenceModel \
@@ -28,6 +28,6 @@ LIB_LIBS = \
     -lsolidMixture \
     -lspecie \
     -lbasicThermophysicalModels \
-    -lcombustionThermophysicalModels \
+    -lreactionThermophysicalModels \
     -lcompressibleRASModels \
     -lcompressibleLESModels

src/lagrangian/intermediate/clouds/Templates/KinematicCloud/KinematicCloud.C

@@ -151,18 +151,18 @@ Foam::KinematicCloud<ParcelType>::~KinematicCloud()
 template<class ParcelType>
 void Foam::KinematicCloud<ParcelType>::checkParcelProperties
 (
-    ParcelType* pPtr,
+    ParcelType& parcel,
     const scalar lagrangianDt,
     const bool fullyDescribed
 )
 {
     if (!fullyDescribed)
     {
-        pPtr->rho() = constProps_.rho0();
+        parcel.rho() = constProps_.rho0();
     }
 
     scalar carrierDt = this->db().time().deltaT().value();
-    pPtr->stepFraction() = (carrierDt - lagrangianDt)/carrierDt;
+    parcel.stepFraction() = (carrierDt - lagrangianDt)/carrierDt;
 }
 
 

src/lagrangian/intermediate/clouds/Templates/KinematicCloud/KinematicCloud.H

@@ -357,7 +357,7 @@ public:
             //- Check parcel properties
             void checkParcelProperties
             (
-                ParcelType* pPtr,
+                ParcelType& parcel,
                 const scalar lagrangianDt,
                 const bool fullyDescribed
             );

src/lagrangian/intermediate/clouds/Templates/ReactingCloud/ReactingCloud.C

@@ -28,7 +28,6 @@ License
 
 #include "CompositionModel.H"
 #include "PhaseChangeModel.H"
-#include "multiComponentMixture.H"
 
 // * * * * * * * * * * * Protected Member Functions  * * * * * * * * * * * * //
 
@@ -68,14 +67,16 @@ Foam::ReactingCloud<ParcelType>::ReactingCloud
     const volScalarField& rho,
     const volVectorField& U,
     const dimensionedVector& g,
-    hCombustionThermo& thermo
+    basicThermo& thermo
 )
 :
     ThermoCloud<ParcelType>(cloudName, rho, U, g, thermo),
     reactingCloud(),
     constProps_(this->particleProperties()),
-    carrierThermo_(thermo),
-    carrierSpecies_(thermo.composition().Y().size()),
+    mcCarrierThermo_
+    (
+        dynamic_cast<multiComponentMixture<thermoType>&>(thermo)
+    ),
     compositionModel_
     (
         CompositionModel<ReactingCloud<ParcelType> >::New
@@ -92,23 +93,9 @@ Foam::ReactingCloud<ParcelType>::ReactingCloud
             *this
         )
     ),
-    rhoTrans_(thermo.composition().Y().size()),
+    rhoTrans_(mcCarrierThermo_.species().size()),
     dMassPhaseChange_(0.0)
 {
-    // Create the carrier species
-    forAll(carrierSpecies_, specieI)
-    {
-        carrierSpecies_.set
-        (
-            specieI,
-            new thermoType
-            (
-                dynamic_cast<const multiComponentMixture<thermoType>&>
-                    (thermo).speciesData()[specieI]
-            )
-        );
-    }
-
     // Set storage for mass source fields and initialise to zero
     forAll(rhoTrans_, i)
     {
@@ -119,9 +106,7 @@ Foam::ReactingCloud<ParcelType>::ReactingCloud
             (
                 IOobject
                 (
-                    this->name()
-                      + "rhoTrans_"
-                      + thermo.composition().Y()[i].name(),
+                    this->name() + "rhoTrans_" + mcCarrierThermo_.species()[i],
                     this->db().time().timeName(),
                     this->db(),
                     IOobject::NO_READ,
@@ -148,34 +133,34 @@ Foam::ReactingCloud<ParcelType>::~ReactingCloud()
 template<class ParcelType>
 void Foam::ReactingCloud<ParcelType>::checkParcelProperties
 (
-    ParcelType* pPtr,
+    ParcelType& parcel,
     const scalar lagrangianDt,
     const bool fullyDescribed
 )
 {
     ThermoCloud<ParcelType>::checkParcelProperties
     (
-        pPtr,
+        parcel,
         lagrangianDt,
         fullyDescribed
     );
 
     if (!fullyDescribed)
     {
-        pPtr->Y() = composition().YMixture0();
+        parcel.Y() = composition().YMixture0();
     }
     else
     {
         checkSuppliedComposition
         (
-            pPtr->Y(),
+            parcel.Y(),
             composition().YMixture0(),
             "YMixture"
         );
     }
 
     // derived information - store initial mass
-    pPtr->mass0() = pPtr->mass();
+    parcel.mass0() = parcel.mass();
 }
 
 
@@ -193,9 +178,9 @@ void Foam::ReactingCloud<ParcelType>::resetSourceTerms()
 template<class ParcelType>
 void Foam::ReactingCloud<ParcelType>::evolve()
 {
-    const volScalarField& T = carrierThermo_.T();
-    const volScalarField cp = carrierThermo_.Cp();
-    const volScalarField& p = carrierThermo_.p();
+    const volScalarField& T = this->carrierThermo().T();
+    const volScalarField cp = this->carrierThermo().Cp();
+    const volScalarField& p = this->carrierThermo().p();
 
     autoPtr<interpolation<scalar> > rhoInterp = interpolation<scalar>::New
     (

src/lagrangian/intermediate/clouds/Templates/ReactingCloud/ReactingCloud.H

@@ -41,11 +41,9 @@ SourceFiles
 #ifndef ReactingCloud_H
 #define ReactingCloud_H
 
-#include "autoPtr.H"
-#include "hCombustionThermo.H"
-
 #include "ThermoCloud.H"
 #include "reactingCloud.H"
+#include "multiComponentMixture.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
@@ -94,11 +92,8 @@ protected:
         //- Parcel constant properties
         typename ParcelType::constantProperties constProps_;
 
-        //- Thermodynamics package (combustion)
-        hCombustionThermo& carrierThermo_;
-
-        //- Gas phase properties
-        PtrList<thermoType> carrierSpecies_;
+        //- Multi-component carrier phase thermo
+        multiComponentMixture<thermoType>& mcCarrierThermo_;
 
 
         // References to the cloud sub-models
@@ -148,7 +143,7 @@ public:
             const volScalarField& rho,
             const volVectorField& U,
             const dimensionedVector& g,
-            hCombustionThermo& thermo
+            basicThermo& thermo
         );
 
 
@@ -168,14 +163,12 @@ public:
             inline const typename ParcelType::constantProperties&
                 constProps() const;
 
-            //- Return const access to carrier phase thermo package
-            inline const hCombustionThermo& carrierThermo() const;
+            //- Return const access to multi-component carrier phase thermo
+            inline const multiComponentMixture<thermoType>&
+                mcCarrierThermo() const;
 
-            //- Return access to carrier phase thermo package
-            inline hCombustionThermo& carrierThermo();
-
-            //- Gas phase properties
-            inline const PtrList<thermoType>& carrierSpecies() const;
+            //- Return access to multi-component carrier phase thermo
+            inline multiComponentMixture<thermoType>& mcCarrierThermo();
 
 
             // Sub-models
@@ -224,7 +217,7 @@ public:
             //- Check parcel properties
             void checkParcelProperties
             (
-                ParcelType* pPtr,
+                ParcelType& parcel,
                 const scalar lagrangianDt,
                 const bool fullyDescribed
             );

src/lagrangian/intermediate/clouds/Templates/ReactingCloud/ReactingCloudI.H

@@ -35,26 +35,18 @@ Foam::ReactingCloud<ParcelType>::constProps() const
 
 
 template<class ParcelType>
-inline const Foam::hCombustionThermo&
-Foam::ReactingCloud<ParcelType>::carrierThermo() const
+inline const Foam::multiComponentMixture<typename ParcelType::thermoType>&
+Foam::ReactingCloud<ParcelType>::mcCarrierThermo() const
 {
-    return carrierThermo_;
+    return mcCarrierThermo_;
 }
 
 
 template<class ParcelType>
-inline Foam::hCombustionThermo&
-Foam::ReactingCloud<ParcelType>::carrierThermo()
+inline Foam::multiComponentMixture<typename ParcelType::thermoType>&
+Foam::ReactingCloud<ParcelType>::mcCarrierThermo()
 {
-    return carrierThermo_;
-}
-
-
-template<class ParcelType>
-inline const Foam::PtrList<typename ParcelType::thermoType>&
-Foam::ReactingCloud<ParcelType>::carrierSpecies() const
-{
-    return carrierSpecies_;
+    return mcCarrierThermo_;
 }
 
 

src/lagrangian/intermediate/clouds/Templates/ReactingMultiphaseCloud/ReactingMultiphaseCloud.C

@@ -38,7 +38,7 @@ Foam::ReactingMultiphaseCloud<ParcelType>::ReactingMultiphaseCloud
     const volScalarField& rho,
     const volVectorField& U,
     const dimensionedVector& g,
-    hCombustionThermo& thermo
+    basicThermo& thermo
 )
 :
     ReactingCloud<ParcelType>(cloudName, rho, U, g, thermo),
@@ -76,14 +76,14 @@ Foam::ReactingMultiphaseCloud<ParcelType>::~ReactingMultiphaseCloud()
 template<class ParcelType>
 void Foam::ReactingMultiphaseCloud<ParcelType>::checkParcelProperties
 (
-    ParcelType* pPtr,
+    ParcelType& parcel,
     const scalar lagrangianDt,
     const bool fullyDescribed
 )
 {
     ReactingCloud<ParcelType>::checkParcelProperties
     (
-        pPtr,
+        parcel,
         lagrangianDt,
         fullyDescribed
     );
@@ -94,27 +94,27 @@ void Foam::ReactingMultiphaseCloud<ParcelType>::checkParcelProperties
 
     if (!fullyDescribed)
     {
-        pPtr->YGas() = this->composition().Y0(idGas);
-        pPtr->YLiquid() = this->composition().Y0(idLiquid);
-        pPtr->YSolid() = this->composition().Y0(idSolid);
+        parcel.YGas() = this->composition().Y0(idGas);
+        parcel.YLiquid() = this->composition().Y0(idLiquid);
+        parcel.YSolid() = this->composition().Y0(idSolid);
     }
     else
     {
         this->checkSuppliedComposition
         (
-            pPtr->YGas(),
+            parcel.YGas(),
             this->composition().Y0(idGas),
             "YGas"
         );
         this->checkSuppliedComposition
         (
-            pPtr->YLiquid(),
+            parcel.YLiquid(),
             this->composition().Y0(idLiquid),
             "YLiquid"
         );
         this->checkSuppliedComposition
         (
-            pPtr->YSolid(),
+            parcel.YSolid(),
             this->composition().Y0(idSolid),
             "YSolid"
         );

src/lagrangian/intermediate/clouds/Templates/ReactingMultiphaseCloud/ReactingMultiphaseCloud.H

@@ -123,7 +123,7 @@ public:
             const volScalarField& rho,
             const volVectorField& U,
             const dimensionedVector& g,
-            hCombustionThermo& thermo
+            basicThermo& thermo
         );
 
 
@@ -178,7 +178,7 @@ public:
             //- Check parcel properties
             void checkParcelProperties
             (
-                ParcelType* pPtr,
+                ParcelType& parcel,
                 const scalar lagrangianDt,
                 const bool fullyDescribed
             );

src/lagrangian/intermediate/clouds/Templates/ThermoCloud/ThermoCloud.C

@@ -113,22 +113,22 @@ Foam::ThermoCloud<ParcelType>::~ThermoCloud()
 template<class ParcelType>
 void Foam::ThermoCloud<ParcelType>::checkParcelProperties
 (
-    ParcelType* pPtr,
+    ParcelType& parcel,
     const scalar lagrangianDt,
     const bool fullyDescribed
 )
 {
     KinematicCloud<ParcelType>::checkParcelProperties
     (
-        pPtr,
+        parcel,
         lagrangianDt,
         fullyDescribed
     );
 
     if (!fullyDescribed)
     {
-        pPtr->T() = constProps_.T0();
-        pPtr->cp() = constProps_.cp0();
+        parcel.T() = constProps_.T0();
+        parcel.cp() = constProps_.cp0();
     }
 }
 

src/lagrangian/intermediate/clouds/Templates/ThermoCloud/ThermoCloud.H

@@ -40,11 +40,9 @@ SourceFiles
 #ifndef ThermoCloud_H
 #define ThermoCloud_H
 
-#include "autoPtr.H"
-#include "hCombustionThermo.H"
-
 #include "KinematicCloud.H"
 #include "thermoCloud.H"
+#include "basicThermo.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
@@ -220,7 +218,7 @@ public:
             //- Check parcel properties
             void checkParcelProperties
             (
-                ParcelType* pPtr,
+                ParcelType& parcel,
                 const scalar lagrangianDt,
                 const bool fullyDescribed
             );

src/lagrangian/intermediate/clouds/derived/BasicReactingCloud/BasicReactingCloud.C

@@ -35,7 +35,7 @@ Foam::BasicReactingCloud<ThermoType>::BasicReactingCloud
     const volScalarField& rho,
     const volVectorField& U,
     const dimensionedVector& g,
-    hCombustionThermo& thermo
+    basicThermo& thermo
 )
 :
     ReactingCloud<BasicReactingParcel<ThermoType> >

src/lagrangian/intermediate/clouds/derived/BasicReactingCloud/BasicReactingCloud.H

@@ -81,7 +81,7 @@ public:
             const volScalarField& rho,
             const volVectorField& U,
             const dimensionedVector& g,
-            hCombustionThermo& thermo
+            basicThermo& thermo
         );
 
 

src/lagrangian/intermediate/clouds/derived/BasicReactingMultiphaseCloud/BasicReactingMultiphaseCloud.C

@@ -35,8 +35,7 @@ Foam::BasicReactingMultiphaseCloud<ThermoType>::BasicReactingMultiphaseCloud
     const volScalarField& rho,
     const volVectorField& U,
     const dimensionedVector& g,
-    hCombustionThermo& thermo,
-    PtrList<ThermoType>& carrierSpecies
+    basicThermo& thermo
 )
 :
     ReactingMultiphaseCloud<BasicReactingMultiphaseParcel<ThermoType> >
@@ -45,8 +44,7 @@ Foam::BasicReactingMultiphaseCloud<ThermoType>::BasicReactingMultiphaseCloud
         rho,
         U,
         g,
-        thermo,
-        carrierSpecies
+        thermo
     )
 {
     BasicReactingMultiphaseParcel<ThermoType>::readFields(*this);

src/lagrangian/intermediate/clouds/derived/BasicReactingMultiphaseCloud/BasicReactingMultiphaseCloud.H

@@ -81,8 +81,7 @@ public:
             const volScalarField& rho,
             const volVectorField& U,
             const dimensionedVector& g,
-            hCombustionThermo& thermo,
-            PtrList<ThermoType>& carrierSpecies
+            basicThermo& thermo
         );
 
 

src/lagrangian/intermediate/clouds/derived/BasicTrackedReactingCloud/BasicTrackedReactingCloud.C

@@ -35,7 +35,7 @@ Foam::BasicTrackedReactingCloud<ThermoType>::BasicTrackedReactingCloud
     const volScalarField& rho,
     const volVectorField& U,
     const dimensionedVector& g,
-    hCombustionThermo& thermo
+    basicThermo& thermo
 )
 :
     ReactingCloud<BasicTrackedReactingParcel<ThermoType> >

src/lagrangian/intermediate/clouds/derived/BasicTrackedReactingCloud/BasicTrackedReactingCloud.H

@@ -81,7 +81,7 @@ public:
             const volScalarField& rho,
             const volVectorField& U,
             const dimensionedVector& g,
-            hCombustionThermo& thermo
+            basicThermo& thermo
         );
 
 

src/lagrangian/intermediate/clouds/include/createReactingCloudTypes.H

@@ -27,14 +27,15 @@ License
 #ifndef createReactingCloudTypes_H
 #define createReactingCloudTypes_H
 
-#include "reactingThermoTypes.H"
+#include "thermoPhysicsTypes.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
 #define createReactingCloudType(CloudType)                                    \
                                                                               \
-    createReactingCloudThermoType(CloudType, specieConstProperties);          \
-    createReactingCloudThermoType(CloudType, specieReactingProperties);
+    createReactingCloudThermoType(CloudType, constGasThermoPhysics);          \
+    createReactingCloudThermoType(CloudType, gasThermoPhysics);               \
+    createReactingCloudThermoType(CloudType, icoPoly8ThermoPhysics);
 
 
 #define createReactingCloudThermoType(CloudType, ThermoType)                  \

src/lagrangian/intermediate/parcels/Templates/KinematicParcel/KinematicParcel.C

@@ -49,7 +49,7 @@ void Foam::KinematicParcel<ParcelType>::setCellValues
                 "const scalar, "
                 "const label"
             ")"
-        )   << "Limiting density in cell " << cellI << " to "
+        )   << "Limiting observed density in cell " << cellI << " to "
             << td.constProps().rhoMin() <<  nl << endl;
 
         rhoc_ = td.constProps().rhoMin();
@@ -113,9 +113,6 @@ void Foam::KinematicParcel<ParcelType>::calc
     // Motion
     // ~~~~~~
 
-    // No additional forces
-    vector Fx = vector::zero;
-
     // Calculate new particle velocity
     vector U1 = calcVelocity(td, dt, cellI, d0, U0, rho0, mass0, Su, dUTrans);
 

src/lagrangian/intermediate/parcels/Templates/ReactingMultiphaseParcel/ReactingMultiphaseParcel.C

@@ -168,7 +168,8 @@ void Foam::ReactingMultiphaseParcel<ParcelType>::cellValueSourceCorrection
         forAll(td.cloud().rhoTrans(), i)
         {
             scalar Y = td.cloud().rhoTrans(i)[cellI]/addedMass;
-            cpEff += Y*td.cloud().carrierSpecies()[i].Cp(this->Tc_);
+            cpEff +=
+                Y*td.cloud().mcCarrierThermo().speciesData()[i].Cp(this->Tc_);
         }
     }
     const scalar cpc = td.cpInterp().psi()[cellI];
@@ -248,7 +249,12 @@ void Foam::ReactingMultiphaseParcel<ParcelType>::calc
     scalarField dMassSRGas(YGas_.size(), 0.0);
     scalarField dMassSRLiquid(YLiquid_.size(), 0.0);
     scalarField dMassSRSolid(YSolid_.size(), 0.0);
-    scalarField dMassSRCarrier(td.cloud().carrierSpecies().size(), 0.0);
+    scalarField
+        dMassSRCarrier
+        (
+            td.cloud().mcCarrierThermo().species().size(),
+            0.0
+        );
 
     // Clac mass and enthalpy transfer due to surface reactions
     calcSurfaceReactions
@@ -340,7 +346,7 @@ void Foam::ReactingMultiphaseParcel<ParcelType>::calc
             td.cloud().hcTrans()[cellI] +=
                 np0
                *dMassGas[i]
-               *td.cloud().composition().carrierSpecies()[gid].H(T0);
+               *td.cloud().mcCarrierThermo().speciesData()[gid].H(T0);
         }
         forAll(YLiquid_, i)
         {
@@ -349,7 +355,7 @@ void Foam::ReactingMultiphaseParcel<ParcelType>::calc
             td.cloud().hcTrans()[cellI] +=
                 np0
                *dMassLiquid[i]
-               *td.cloud().composition().carrierSpecies()[gid].H(T0);
+               *td.cloud().mcCarrierThermo().speciesData()[gid].H(T0);
         }
 /*
         // No mapping between solid components and carrier phase
@@ -360,7 +366,7 @@ void Foam::ReactingMultiphaseParcel<ParcelType>::calc
             td.cloud().hcTrans()[cellI] +=
                 np0
                *dMassSolid[i]
-               *td.cloud().composition().carrierSpecies()[gid].H(T0);
+               *td.cloud().mcCarrierThermo().speciesData()[gid].H(T0);
         }
 */
         forAll(dMassSRCarrier, i)
@@ -369,7 +375,7 @@ void Foam::ReactingMultiphaseParcel<ParcelType>::calc
             td.cloud().hcTrans()[cellI] +=
                 np0
                *dMassSRCarrier[i]
-               *td.cloud().composition().carrierSpecies()[i].H(T0);
+               *td.cloud().mcCarrierThermo().speciesData()[i].H(T0);
         }
 
         // Update momentum transfer

src/lagrangian/intermediate/parcels/Templates/ReactingParcel/ReactingParcel.C

@@ -50,7 +50,7 @@ void Foam::ReactingParcel<ParcelType>::setCellValues
                 "const scalar, "
                 "const label"
             ")"
-        )   << "Limiting pressure in cell " << cellI << " to "
+        )   << "Limiting observed pressure in cell " << cellI << " to "
             << td.constProps().pMin() <<  nl << endl;
 
         pc_ = td.constProps().pMin();
@@ -86,7 +86,8 @@ void Foam::ReactingParcel<ParcelType>::cellValueSourceCorrection
         forAll(td.cloud().rhoTrans(), i)
         {
             scalar Y = td.cloud().rhoTrans(i)[cellI]/addedMass;
-            cpEff += Y*td.cloud().carrierSpecies()[i].Cp(this->Tc_);
+            cpEff +=
+                Y*td.cloud().mcCarrierThermo().speciesData()[i].Cp(this->Tc_);
         }
     }
     const scalar cpc = td.cpInterp().psi()[cellI];
@@ -190,9 +191,6 @@ void Foam::ReactingParcel<ParcelType>::calc
     // Motion
     // ~~~~~~
 
-    // No additional forces
-    vector Fx = vector::zero;
-
     // Calculate new particle velocity
     vector U1 = calcVelocity(td, dt, cellI, d0, U0, rho0, mass0, Su, dUTrans);
 
@@ -210,7 +208,7 @@ void Foam::ReactingParcel<ParcelType>::calc
             td.cloud().hcTrans()[cellI] +=
                 np0
                *dMassPC[i]
-               *td.cloud().composition().carrierSpecies()[gid].H(T0);
+               *td.cloud().mcCarrierThermo().speciesData()[gid].H(T0);
         }
 
         // Update momentum transfer
@@ -317,16 +315,15 @@ void Foam::ReactingParcel<ParcelType>::calcPhaseChange
     td.cloud().addToMassPhaseChange(this->nParticle_*dMassTot);
 
     // Enthalphy transfer to carrier phase
+    label id;
     forAll(YComponents, i)
     {
-        label gid;
+        id = td.cloud().composition().localToGlobalCarrierId(idPhase, i);
+        const scalar hv = td.cloud().mcCarrierThermo().speciesData()[id].H(T);
 
-        gid = td.cloud().composition().localToGlobalCarrierId(idPhase, i);
-        const scalar hv = td.cloud().composition().carrierSpecies()[gid].H(T);
-
-        gid = td.cloud().composition().globalIds(idPhase)[i];
+        id = td.cloud().composition().globalIds(idPhase)[i];
         const scalar hl =
-            td.cloud().composition().liquids().properties()[gid].h(pc_, T);
+            td.cloud().composition().liquids().properties()[id].h(pc_, T);
 
         Sh += dMassPC[i]*(hl - hv)/dt;
     }

src/lagrangian/intermediate/parcels/Templates/ThermoParcel/ThermoParcel.C

@@ -53,7 +53,7 @@ void Foam::ThermoParcel<ParcelType>::setCellValues
                 "const scalar, "
                 "const label"
             ")"
-        )   << "Limiting temperature in cell " << cellI << " to "
+        )   << "Limiting observed temperature in cell " << cellI << " to "
             << td.constProps().TMin() <<  nl << endl;
 
         Tc_ = td.constProps().TMin();
@@ -178,13 +178,13 @@ Foam::scalar Foam::ThermoParcel<ParcelType>::calcHeatTransfer
 
     if (mag(htc) < ROOTVSMALL && !td.cloud().radiation())
     {
-        return  T + dt*Sh/(this->mass()*cp);
+        return  T + dt*Sh/(this->volume(d)*rho*cp);
     }
 
     scalar ap;
     scalar bp;
 
-    if(td.cloud().radiation())
+    if (td.cloud().radiation())
     {
         const scalarField& G =
             td.cloud().mesh().objectRegistry::lookupObject<volScalarField>("G");

src/lagrangian/intermediate/parcels/include/createReactingMultiphaseParcelTypes.H

@@ -28,7 +28,7 @@ License
 #define createReactingMultiphaseParcelTypes_H
 
 #include "makeParcelIOList.H"
-#include "reactingThermoTypes.H"
+#include "thermoPhysicsTypes.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
@@ -37,12 +37,17 @@ License
     createReactingMultiphaseParcelThermoType                                  \
     (                                                                         \
         ParcelType,                                                           \
-        specieConstProperties                                                 \
+        constGasThermoPhysics                                                 \
     );                                                                        \
     createReactingMultiphaseParcelThermoType                                  \
     (                                                                         \
         ParcelType,                                                           \
-        specieReactingProperties                                              \
+        gasThermoPhysics                                                      \
+    );                                                                        \
+    createReactingMultiphaseParcelThermoType                                  \
+    (                                                                         \
+        ParcelType,                                                           \
+        icoPoly8ThermoPhysics                                                 \
     );
 
 

src/lagrangian/intermediate/parcels/include/createReactingParcelTypes.H

@@ -28,14 +28,15 @@ License
 #define createReactingParcelTypes_H
 
 #include "makeParcelIOList.H"
-#include "reactingThermoTypes.H"
+#include "thermoPhysicsTypes.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
 #define createReactingParcelType(ParcelType)                                  \
                                                                               \
-    createReactingParcelThermoType(ParcelType, specieConstProperties);        \
-    createReactingParcelThermoType(ParcelType, specieReactingProperties);
+    createReactingParcelThermoType(ParcelType, constGasThermoPhysics);        \
+    createReactingParcelThermoType(ParcelType, gasThermoPhysics);             \
+    createReactingParcelThermoType(ParcelType, icoPoly8ThermoPhysics);
 
 
 #define createReactingParcelThermoType(ParcelType, ThermoType)                \

src/lagrangian/intermediate/parcels/include/createTrackedReactingParcelTypes.H

@@ -36,12 +36,17 @@ License
     createTrackedReactingParcelThermoType                                     \
     (                                                                         \
         ParcelType,                                                           \
-        specieConstProperties                                                 \
+        constGasThermoPhysics                                                 \
     );                                                                        \
     createTrackedReactingParcelThermoType                                     \
     (                                                                         \
         ParcelType,                                                           \
-        specieReactingProperties                                              \
+        gasThermoPhysics                                                      \
+    );                                                                        \
+    createTrackedReactingParcelThermoType                                     \
+    (                                                                         \
+        ParcelType,                                                           \
+        icoPoly8ThermoPhysics                                                 \
     );
 
 

src/lagrangian/intermediate/parcels/include/makeReactingMultiphaseParcelCompositionModels.H

@@ -29,7 +29,7 @@ License
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-#include "reactingThermoTypes.H"
+#include "thermoPhysicsTypes.H"
 #include "ReactingCloud.H"
 
 #include "SingleMixtureFraction.H"
@@ -41,12 +41,17 @@ License
     makeReactingMultiphaseCompositionModelThermoType                          \
     (                                                                         \
         ParcelType,                                                           \
-        specieConstProperties                                                 \
+        constGasThermoPhysics                                                 \
     );                                                                        \
     makeReactingMultiphaseCompositionModelThermoType                          \
     (                                                                         \
         ParcelType,                                                           \
-        specieReactingProperties                                              \
+        gasThermoPhysics                                                      \
+    );                                                                        \
+    makeReactingMultiphaseCompositionModelThermoType                          \
+    (                                                                         \
+        ParcelType,                                                           \
+        icoPoly8ThermoPhysics                                                 \
     );
 
 

src/lagrangian/intermediate/parcels/include/makeReactingMultiphaseParcelDevolatilisationModels.H

@@ -29,7 +29,7 @@ License
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-#include "reactingThermoTypes.H"
+#include "thermoPhysicsTypes.H"
 #include "ReactingMultiphaseCloud.H"
 
 #include "ConstantRateDevolatilisation.H"
@@ -43,12 +43,17 @@ License
     makeReactingMultiphaseDevolatilisationModelThermoType                     \
     (                                                                         \
         ParcelType,                                                           \
-        specieConstProperties                                                 \
+        constGasThermoPhysics                                                 \
     );                                                                        \
     makeReactingMultiphaseDevolatilisationModelThermoType                     \
     (                                                                         \
         ParcelType,                                                           \
-        specieReactingProperties                                              \
+        gasThermoPhysics                                                      \
+    );                                                                        \
+    makeReactingMultiphaseDevolatilisationModelThermoType                     \
+    (                                                                         \
+        ParcelType,                                                           \
+        icoPoly8ThermoPhysics                                                 \
     );
 
 

src/lagrangian/intermediate/parcels/include/makeReactingMultiphaseParcelInjectionModels.H

@@ -29,7 +29,7 @@ License
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-#include "reactingThermoTypes.H"
+#include "thermoPhysicsTypes.H"
 #include "KinematicCloud.H"
 
 #include "ConeInjection.H"
@@ -45,13 +45,19 @@ License
     makeReactingMultiphaseInjectionModelThermoType                            \
     (                                                                         \
         ParcelType,                                                           \
-        specieConstProperties                                                 \
+        constGasThermoPhysics                                                 \
     );                                                                        \
                                                                               \
     makeReactingMultiphaseInjectionModelThermoType                            \
     (                                                                         \
         ParcelType,                                                           \
-        specieReactingProperties                                              \
+        gasThermoPhysics                                                      \
+    );                                                                        \
+                                                                              \
+    makeReactingMultiphaseInjectionModelThermoType                            \
+    (                                                                         \
+        ParcelType,                                                           \
+        icoPoly8ThermoPhysics                                                 \
     );
 
 

src/lagrangian/intermediate/parcels/include/makeReactingMultiphaseParcelSurfaceReactionModels.H

@@ -29,7 +29,7 @@ License
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-#include "reactingThermoTypes.H"
+#include "thermoPhysicsTypes.H"
 #include "ReactingMultiphaseCloud.H"
 
 #include "NoSurfaceReaction.H"
@@ -41,12 +41,17 @@ License
     makeReactingMultiphaseSurfaceReactionModelThermoType                      \
     (                                                                         \
         ParcelType,                                                           \
-        specieConstProperties                                                 \
+        constGasThermoPhysics                                                 \
     );                                                                        \
     makeReactingMultiphaseSurfaceReactionModelThermoType                      \
     (                                                                         \
         ParcelType,                                                           \
-        specieReactingProperties                                              \
+        gasThermoPhysics                                                      \
+    );                                                                        \
+    makeReactingMultiphaseSurfaceReactionModelThermoType                      \
+    (                                                                         \
+        ParcelType,                                                           \
+        icoPoly8ThermoPhysics                                                 \
     );
 
 

src/lagrangian/intermediate/parcels/include/makeReactingParcelCompositionModels.H

@@ -29,7 +29,7 @@ License
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-#include "reactingThermoTypes.H"
+#include "thermoPhysicsTypes.H"
 #include "ReactingCloud.H"
 
 #include "SinglePhaseMixture.H"
@@ -41,12 +41,17 @@ License
     makeReactingCompositionModelThermoType                                    \
     (                                                                         \
         ParcelType,                                                           \
-        specieConstProperties                                                 \
+        constGasThermoPhysics                                                 \
     );                                                                        \
     makeReactingCompositionModelThermoType                                    \
     (                                                                         \
         ParcelType,                                                           \
-        specieReactingProperties                                              \
+        gasThermoPhysics                                                      \
+    );                                                                        \
+    makeReactingCompositionModelThermoType                                    \
+    (                                                                         \
+        ParcelType,                                                           \
+        icoPoly8ThermoPhysics                                                 \
     );
 
 

src/lagrangian/intermediate/parcels/include/makeReactingParcelDispersionModels.H

@@ -29,7 +29,7 @@ License
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-#include "reactingThermoTypes.H"
+#include "thermoPhysicsTypes.H"
 #include "KinematicCloud.H"
 
 #include "NoDispersion.H"
@@ -43,13 +43,19 @@ License
     makeReactingDispersionModelThermoType                                     \
     (                                                                         \
         ParcelType,                                                           \
-        specieConstProperties                                                 \
+        constGasThermoPhysics                                                 \
     );                                                                        \
                                                                               \
     makeReactingDispersionModelThermoType                                     \
     (                                                                         \
         ParcelType,                                                           \
-        specieReactingProperties                                              \
+        gasThermoPhysics                                                      \
+    );                                                                        \
+                                                                              \
+    makeReactingDispersionModelThermoType                                     \
+    (                                                                         \
+        ParcelType,                                                           \
+        icoPoly8ThermoPhysics                                                 \
     );
 
 

src/lagrangian/intermediate/parcels/include/makeReactingParcelDragModels.H

@@ -29,7 +29,7 @@ License
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-#include "reactingThermoTypes.H"
+#include "thermoPhysicsTypes.H"
 #include "KinematicCloud.H"
 
 #include "NoDrag.H"
@@ -42,12 +42,17 @@ License
     makeReactingDragModelThermoType                                           \
     (                                                                         \
         ParcelType,                                                           \
-        specieConstProperties                                                 \
+        constGasThermoPhysics                                                 \
     );                                                                        \
     makeReactingDragModelThermoType                                           \
     (                                                                         \
         ParcelType,                                                           \
-        specieReactingProperties                                              \
+        gasThermoPhysics                                                      \
+    );                                                                        \
+    makeReactingDragModelThermoType                                           \
+    (                                                                         \
+        ParcelType,                                                           \
+        icoPoly8ThermoPhysics                                                 \
     );
 
 

src/lagrangian/intermediate/parcels/include/makeReactingParcelHeatTransferModels.H

@@ -29,7 +29,7 @@ License
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-#include "reactingThermoTypes.H"
+#include "thermoPhysicsTypes.H"
 #include "ThermoCloud.H"
 
 #include "NoHeatTransfer.H"
@@ -42,12 +42,17 @@ License
     makeReactingHeatTransferModelThermoType                                   \
     (                                                                         \
         ParcelType,                                                           \
-        specieConstProperties                                                 \
+        constGasThermoPhysics                                                 \
     );                                                                        \
     makeReactingHeatTransferModelThermoType                                   \
     (                                                                         \
         ParcelType,                                                           \
-        specieReactingProperties                                              \
+        gasThermoPhysics                                                      \
+    );                                                                        \
+    makeReactingHeatTransferModelThermoType                                   \
+    (                                                                         \
+        ParcelType,                                                           \
+        icoPoly8ThermoPhysics                                                 \
     );
 
 

src/lagrangian/intermediate/parcels/include/makeReactingParcelInjectionModels.H

@@ -29,7 +29,7 @@ License
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-#include "reactingThermoTypes.H"
+#include "thermoPhysicsTypes.H"
 #include "KinematicCloud.H"
 
 #include "ConeInjection.H"
@@ -46,13 +46,19 @@ License
     makeReactingInjectionModelThermoType                                      \
     (                                                                         \
         ParcelType,                                                           \
-        specieConstProperties                                                 \
+        constGasThermoPhysics                                                 \
     );                                                                        \
                                                                               \
     makeReactingInjectionModelThermoType                                      \
     (                                                                         \
         ParcelType,                                                           \
-        specieReactingProperties                                              \
+        gasThermoPhysics                                                      \
+    );                                                                        \
+                                                                              \
+    makeReactingInjectionModelThermoType                                      \
+    (                                                                         \
+        ParcelType,                                                           \
+        icoPoly8ThermoPhysics                                                 \
     );
 
 

src/lagrangian/intermediate/parcels/include/makeReactingParcelPatchInteractionModels.H

@@ -29,7 +29,7 @@ License
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-#include "reactingThermoTypes.H"
+#include "thermoPhysicsTypes.H"
 #include "KinematicCloud.H"
 
 #include "LocalInteraction.H"
@@ -43,13 +43,19 @@ License
     makeReactingPatchInteractionModelThermoType                               \
     (                                                                         \
         ParcelType,                                                           \
-        specieConstProperties                                                 \
+        constGasThermoPhysics                                                 \
     );                                                                        \
                                                                               \
     makeReactingPatchInteractionModelThermoType                               \
     (                                                                         \
         ParcelType,                                                           \
-        specieReactingProperties                                              \
+        gasThermoPhysics                                                      \
+    );                                                                        \
+                                                                              \
+    makeReactingPatchInteractionModelThermoType                               \
+    (                                                                         \
+        ParcelType,                                                           \
+        icoPoly8ThermoPhysics                                                 \
     );
 
 

src/lagrangian/intermediate/parcels/include/makeReactingParcelPhaseChangeModels.H

@@ -29,7 +29,7 @@ License
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-#include "reactingThermoTypes.H"
+#include "thermoPhysicsTypes.H"
 #include "ReactingCloud.H"
 
 #include "NoPhaseChange.H"
@@ -42,13 +42,19 @@ License
     makeReactingPhaseChangeModelThermoType                                    \
     (                                                                         \
         ParcelType,                                                           \
-        specieConstProperties                                                 \
+        constGasThermoPhysics                                                 \
     );                                                                        \
                                                                               \
     makeReactingPhaseChangeModelThermoType                                    \
     (                                                                         \
         ParcelType,                                                           \
-        specieReactingProperties                                              \
+        gasThermoPhysics                                                      \
+    );                                                                        \
+                                                                              \
+    makeReactingPhaseChangeModelThermoType                                    \
+    (                                                                         \
+        ParcelType,                                                           \
+        icoPoly8ThermoPhysics                                                 \
     );
 
 

src/lagrangian/intermediate/parcels/include/makeReactingParcelPostProcessingModels.H

@@ -29,7 +29,7 @@ License
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-#include "reactingThermoTypes.H"
+#include "thermoPhysicsTypes.H"
 #include "KinematicCloud.H"
 
 #include "NoPostProcessing.H"
@@ -42,13 +42,19 @@ License
     makeReactingPostProcessingModelThermoType                                 \
     (                                                                         \
         ParcelType,                                                           \
-        specieConstProperties                                                 \
+        constGasThermoPhysics                                                 \
     );                                                                        \
                                                                               \
     makeReactingPostProcessingModelThermoType                                 \
     (                                                                         \
         ParcelType,                                                           \
-        specieReactingProperties                                              \
+        gasThermoPhysics                                                      \
+    );                                                                        \
+                                                                              \
+    makeReactingPostProcessingModelThermoType                                 \
+    (                                                                         \
+        ParcelType,                                                           \
+        icoPoly8ThermoPhysics                                                 \
     );
 
 

src/lagrangian/intermediate/submodels/Kinematic/InjectionModel/InjectionModel/InjectionModel.C

@@ -401,7 +401,7 @@ void Foam::InjectionModel<CloudType>::inject(TrackData& td)
                 setProperties(parcelI, newParcels, timeInj, *pPtr);
 
                 // Check new parcel properties
-                td.cloud().checkParcelProperties(pPtr, dt, fullyDescribed());
+                td.cloud().checkParcelProperties(*pPtr, dt, fullyDescribed());
 
                 // Apply correction to velocity for 2-D cases
                 meshTools::constrainDirection

src/lagrangian/intermediate/submodels/Kinematic/PatchInteractionModel/LocalInteraction/LocalInteraction.C

@@ -29,17 +29,20 @@ License
 // * * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * //
 
 template <class CloudType>
-bool Foam::LocalInteraction<CloudType>::applyToPatch(const polyPatch& pp) const
+Foam::label Foam::LocalInteraction<CloudType>::applyToPatch
+(
+    const label globalPatchI
+) const
 {
     forAll(patchIds_, patchI)
     {
-        if (patchIds_[patchI] == pp.index())
+        if (patchIds_[patchI] == globalPatchI)
         {
-            return true;
+            return patchI;
         }
     }
 
-    return false;
+    return -1;
 }
 
 
@@ -75,7 +78,11 @@ Foam::LocalInteraction<CloudType>::LocalInteraction
     DynamicList<word> badWalls;
     forAll(bMesh, patchI)
     {
-        if (isA<wallPolyPatch>(bMesh[patchI]) && !applyToPatch(bMesh[patchI]))
+        if
+        (
+            isA<wallPolyPatch>(bMesh[patchI])
+         && applyToPatch(bMesh[patchI].index()) < 0
+        )
         {
             badWalls.append(bMesh[patchI].name());
         }
@@ -115,7 +122,9 @@ bool Foam::LocalInteraction<CloudType>::correct
     vector& U
 ) const
 {
-    if (applyToPatch(pp))
+    label patchI = applyToPatch(pp.index());
+
+    if (patchI >= 0)
     {
         vector nw = pp.faceAreas()[pp.whichFace(faceId)];
         nw /= mag(nw);
@@ -125,10 +134,10 @@ bool Foam::LocalInteraction<CloudType>::correct
 
         if (Un > 0)
         {
-            U -= (1.0 + patchData_[pp.index()].e())*Un*nw;
+            U -= (1.0 + patchData_[patchI].e())*Un*nw;
         }
 
-        U -= patchData_[pp.index()].mu()*Ut;
+        U -= patchData_[patchI].mu()*Ut;
 
         return true;
     }

src/lagrangian/intermediate/submodels/Kinematic/PatchInteractionModel/LocalInteraction/LocalInteraction.H

@@ -132,8 +132,8 @@ class LocalInteraction
 
     // Private member functions
 
-        //- Returns true if patch is in patchIds_ list
-        bool applyToPatch(const polyPatch& pp) const;
+        //- Returns local patchI if patch is in patchIds_ list
+        label applyToPatch(const label globalPatchI) const;
 
 
 

src/lagrangian/intermediate/submodels/Reacting/CompositionModel/CompositionModel/CompositionModel.C

@@ -39,15 +39,14 @@ Foam::CompositionModel<CloudType>::CompositionModel
     dict_(dict),
     owner_(owner),
     coeffDict_(dict.subDict(type + "Coeffs")),
-    carrierThermo_(owner.carrierThermo()),
-    carrierSpecies_(owner.carrierSpecies()),
+    mcCarrierThermo_(owner.mcCarrierThermo()),
     liquids_
     (
         liquidMixture::New
         (
             owner.mesh().objectRegistry::lookupObject<dictionary>
             (
-                carrierThermo_.name()
+                owner.carrierThermo().name()
             )
         )
     ),
@@ -57,14 +56,14 @@ Foam::CompositionModel<CloudType>::CompositionModel
         (
             owner.mesh().objectRegistry::lookupObject<dictionary>
             (
-                carrierThermo_.name()
+                owner.carrierThermo().name()
             )
         )
     ),
     phaseProps_
     (
         coeffDict_.lookup("phases"),
-        carrierThermo_.composition().species(),
+        mcCarrierThermo_.species(),
         liquids_().components(),
         solids_().components()
     )
@@ -102,18 +101,10 @@ const Foam::dictionary& Foam::CompositionModel<CloudType>::coeffDict() const
 
 
 template<class CloudType>
-const Foam::hCombustionThermo&
-Foam::CompositionModel<CloudType>::carrierThermo() const
+const Foam::multiComponentMixture<typename CloudType::thermoType>&
+Foam::CompositionModel<CloudType>::mcCarrierThermo() const
 {
-    return carrierThermo_;
-}
-
-
-template<class CloudType>
-const Foam::PtrList<typename CloudType::thermoType>&
-Foam::CompositionModel<CloudType>::carrierSpecies() const
-{
-    return carrierSpecies_;
+    return mcCarrierThermo_;
 }
 
 
@@ -184,10 +175,9 @@ Foam::label Foam::CompositionModel<CloudType>::globalCarrierId
     const word& cmptName
 ) const
 {
-    forAll(carrierThermo_.composition().species(), i)
+    forAll(mcCarrierThermo_.species(), i)
     {
-        word carrierSpecieName = carrierThermo_.composition().species()[i];
-        if (cmptName == carrierSpecieName)
+        if (cmptName == mcCarrierThermo_.species()[i])
         {
             return i;
         }
@@ -323,8 +313,8 @@ Foam::scalarField Foam::CompositionModel<CloudType>::X
             forAll(Y, i)
             {
                 label gid = props.globalIds()[i];
-                WInv += Y[i]/this->carrierSpecies()[gid].W();
-                X[i] = Y[i]/this->carrierSpecies()[gid].W();
+                WInv += Y[i]/mcCarrierThermo_.speciesData()[gid].W();
+                X[i] = Y[i]/mcCarrierThermo_.speciesData()[gid].W();
             }
             break;
         }
@@ -374,7 +364,7 @@ Foam::scalar Foam::CompositionModel<CloudType>::H
             forAll(Y, i)
             {
                 label gid = props.globalIds()[i];
-                HMixture += Y[i]*this->carrierSpecies()[gid].H(T);
+                HMixture += Y[i]*mcCarrierThermo_.speciesData()[gid].H(T);
             }
             break;
         }
@@ -438,7 +428,7 @@ Foam::scalar Foam::CompositionModel<CloudType>::cp
             forAll(Y, i)
             {
                 label gid = props.globalIds()[i];
-                cpMixture += Y[i]*this->carrierSpecies()[gid].Cp(T);
+                cpMixture += Y[i]*mcCarrierThermo_.speciesData()[gid].Cp(T);
             }
             break;
         }

src/lagrangian/intermediate/submodels/Reacting/CompositionModel/CompositionModel/CompositionModel.H

@@ -44,7 +44,7 @@ SourceFiles
 #include "runTimeSelectionTables.H"
 
 #include "PtrList.H"
-#include "hCombustionThermo.H"
+#include "multiComponentMixture.H"
 
 #include "liquidMixture.H"
 #include "solidMixture.H"
@@ -74,11 +74,8 @@ class CompositionModel
         //- The coefficients dictionary
         const dictionary& coeffDict_;
 
-        //- Reference to the carrier phase thermo package
-        hCombustionThermo& carrierThermo_;
-
-        //- Reference to the carrier phase species
-        const PtrList<typename CloudType::thermoType>& carrierSpecies_;
+        //- Reference to the multi-component carrier phase thermo
+        multiComponentMixture<typename CloudType::thermoType>& mcCarrierThermo_;
 
         //- Global (additional) liquid properties data
         autoPtr<liquidMixture> liquids_;
@@ -146,15 +143,12 @@ public:
             const dictionary& coeffDict() const;
 
             //- Return the carrier phase thermo package
-            const hCombustionThermo& carrierThermo() const;
+            const multiComponentMixture<typename CloudType::thermoType>&
+                mcCarrierThermo() const;
 
 
             // Composition lists
 
-                //- Return the carrier species
-                const PtrList<typename CloudType::thermoType>&
-                    carrierSpecies() const;
-
                 //- Return the global (additional) liquids
                 const liquidMixture& liquids() const;
 

src/lagrangian/intermediate/submodels/Reacting/PhaseChangeModel/LiquidEvaporation/LiquidEvaporation.C

@@ -35,14 +35,14 @@ Foam::scalarField Foam::LiquidEvaporation<CloudType>::calcXc
     const label cellI
 ) const
 {
-    scalarField Xc(this->owner().carrierThermo().composition().Y().size());
+    scalarField Xc(this->owner().mcCarrierThermo().Y().size());
 
     scalar Winv = 0.0;
     forAll(Xc, i)
     {
-        scalar Y = this->owner().carrierThermo().composition().Y()[i][cellI];
-        Winv += Y/this->owner().carrierSpecies()[i].W();
-        Xc[i] = Y/this->owner().carrierSpecies()[i].W();
+        scalar Y = this->owner().mcCarrierThermo().Y()[i][cellI];
+        Winv += Y/this->owner().mcCarrierThermo().speciesData()[i].W();
+        Xc[i] = Y/this->owner().mcCarrierThermo().speciesData()[i].W();
     }
 
     return Xc/Winv;
@@ -104,7 +104,7 @@ Foam::LiquidEvaporation<CloudType>::LiquidEvaporation
             owner.composition().globalCarrierId(activeLiquids_[i]);
     }
 
-    // Determine mapping between local and global liquids
+    // Determine mapping between model active liquids and global liquids
     label idLiquid = owner.composition().idLiquid();
     forAll(activeLiquids_, i)
     {
@@ -153,8 +153,8 @@ void Foam::LiquidEvaporation<CloudType>::calculate
     // Reynolds number
     scalar Re = mag(Ur)*d/(nuc + ROOTVSMALL);
 
-    // film temperature evaluated using the particle temperature
-    scalar Tf = T;
+    // film temperature evaluated using the 2/3 rule
+    scalar Tf = (2.0*T + Tc)/3.0;
 
     // calculate mass transfer of each specie in liquid
     forAll(activeLiquids_, i)
@@ -162,12 +162,13 @@ void Foam::LiquidEvaporation<CloudType>::calculate
         label gid = liqToCarrierMap_[i];
         label lid = liqToLiqMap_[i];
 
-        // vapour diffusivity [m2/s]
+        // vapour diffusivity at film temperature and cell pressure [m2/s]
         scalar Dab = liquids_->properties()[lid].D(pc, Tf);
 
-        // saturation pressure for species i [pa]
-        // - carrier phase pressure assumed equal to the liquid vapour pressure
-        //   close to the surface
+        // saturation pressure for species i at film temperature and cell
+        // pressure [pa] - carrier phase pressure assumed equal to the liquid
+        // vapour pressure close to the surface
+        // - limited to pc if pSat > pc
         scalar pSat = min(liquids_->properties()[lid].pv(pc, Tf), pc);
 
         // Schmidt number
@@ -179,11 +180,11 @@ void Foam::LiquidEvaporation<CloudType>::calculate
         // mass transfer coefficient [m/s]
         scalar kc = Sh*Dab/(d + ROOTVSMALL);
 
-        // vapour concentration at droplet surface [kmol/m3]
+        // vapour concentration at droplet surface at film temperature [kmol/m3]
         scalar Cs = pSat/(specie::RR*Tf);
 
-        // vapour concentration in bulk gas [kmol/m3]
-        scalar Cinf = Xc[gid]*pc/(specie::RR*Tc);
+        // vapour concentration in bulk gas at film temperature [kmol/m3]
+        scalar Cinf = Xc[gid]*pc/(specie::RR*Tf);
 
         // molar flux of vapour [kmol/m2/s]
         scalar Ni = max(kc*(Cs - Cinf), 0.0);

src/thermophysicalModels/Allwmake

@@ -10,7 +10,7 @@ wmake libso solids
 wmake libso solidMixture
 
 wmake libso basic
-wmake libso combustion
+wmake libso reactionThermo
 wmake libso laminarFlameSpeed
 wmake libso chemistryModel
 wmake libso pdfs

src/thermophysicalModels/basic/Make/files

@@ -1,13 +1,16 @@
-basicMixture = mixtures/basicMixture
-basicThermo = basicThermo
+mixtures/basicMixture/basicMixture.C
+mixtures/basicMixture/basicMixtures.C
 
-$(basicMixture)/basicMixture.C
-$(basicMixture)/basicMixtures.C
-$(basicThermo)/basicThermo.C
-$(basicThermo)/newBasicThermo.C
+basicThermo/basicThermo.C
 
-hThermo/hThermos.C
-eThermo/eThermos.C
+psiThermo/basicPsiThermo/basicPsiThermo.C
+psiThermo/basicPsiThermo/newBasicPsiThermo.C
+psiThermo/hPsiThermo/hPsiThermos.C
+psiThermo/ePsiThermo/ePsiThermos.C
+
+rhoThermo/basicRhoThermo/basicRhoThermo.C
+rhoThermo/basicRhoThermo/newBasicRhoThermo.C
+rhoThermo/hRhoThermo/hRhoThermos.C
 
 derivedFvPatchFields/fixedEnthalpy/fixedEnthalpyFvPatchScalarField.C
 derivedFvPatchFields/gradientEnthalpy/gradientEnthalpyFvPatchScalarField.C

src/thermophysicalModels/basic/basicThermo/basicThermo.C

@@ -35,20 +35,16 @@ License
 #include "gradientInternalEnergyFvPatchScalarField.H"
 #include "mixedInternalEnergyFvPatchScalarField.H"
 
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+/* * * * * * * * * * * * * * * private static data * * * * * * * * * * * * * */
 
 namespace Foam
 {
-
-/* * * * * * * * * * * * * * * private static data * * * * * * * * * * * * * */
-
-defineTypeNameAndDebug(basicThermo, 0);
-defineRunTimeSelectionTable(basicThermo, fvMesh);
-
+    defineTypeNameAndDebug(basicThermo, 0);
+}
 
 // * * * * * * * * * * * * Protected Member Functions  * * * * * * * * * * * //
 
-wordList basicThermo::hBoundaryTypes()
+Foam::wordList Foam::basicThermo::hBoundaryTypes()
 {
     const volScalarField::GeometricBoundaryField& tbf = T_.boundaryField();
 
@@ -77,7 +73,8 @@ wordList basicThermo::hBoundaryTypes()
     return hbt;
 }
 
-void basicThermo::hBoundaryCorrection(volScalarField& h)
+
+void Foam::basicThermo::hBoundaryCorrection(volScalarField& h)
 {
     volScalarField::GeometricBoundaryField& hbf = h.boundaryField();
 
@@ -96,7 +93,8 @@ void basicThermo::hBoundaryCorrection(volScalarField& h)
     }
 }
 
-wordList basicThermo::eBoundaryTypes()
+
+Foam::wordList Foam::basicThermo::eBoundaryTypes()
 {
     const volScalarField::GeometricBoundaryField& tbf = T_.boundaryField();
 
@@ -125,7 +123,8 @@ wordList basicThermo::eBoundaryTypes()
     return ebt;
 }
 
-void basicThermo::eBoundaryCorrection(volScalarField& e)
+
+void Foam::basicThermo::eBoundaryCorrection(volScalarField& e)
 {
     volScalarField::GeometricBoundaryField& ebf = e.boundaryField();
 
@@ -146,7 +145,7 @@ void basicThermo::eBoundaryCorrection(volScalarField& e)
 
 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
 
-basicThermo::basicThermo(const fvMesh& mesh)
+Foam::basicThermo::basicThermo(const fvMesh& mesh)
 :
     IOdictionary
     (
@@ -173,19 +172,6 @@ basicThermo::basicThermo(const fvMesh& mesh)
         mesh
     ),
 
-    T_
-    (
-        IOobject
-        (
-            "T",
-            mesh.time().timeName(),
-            mesh,
-            IOobject::MUST_READ,
-            IOobject::AUTO_WRITE
-        ),
-        mesh
-    ),
-
     psi_
     (
         IOobject
@@ -200,6 +186,19 @@ basicThermo::basicThermo(const fvMesh& mesh)
         dimensionSet(0, -2, 2, 0, 0)
     ),
 
+    T_
+    (
+        IOobject
+        (
+            "T",
+            mesh.time().timeName(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh
+    ),
+
     mu_
     (
         IOobject
@@ -232,20 +231,184 @@ basicThermo::basicThermo(const fvMesh& mesh)
 
 // * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
 
-basicThermo::~basicThermo()
+Foam::basicThermo::~basicThermo()
 {}
 
 
 // * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
 
-bool basicThermo::read()
+Foam::volScalarField& Foam::basicThermo::p()
+{
+    return p_;
+}
+
+
+const Foam::volScalarField& Foam::basicThermo::p() const
+{
+    return p_;
+}
+
+
+const Foam::volScalarField& Foam::basicThermo::psi() const
+{
+    return psi_;
+}
+
+
+Foam::volScalarField& Foam::basicThermo::h()
+{
+    notImplemented("basicThermo::h()");
+    return const_cast<volScalarField&>(volScalarField::null());
+}
+
+
+const Foam::volScalarField& Foam::basicThermo::h() const
+{
+    notImplemented("basicThermo::h() const");
+    return volScalarField::null();
+}
+
+
+Foam::tmp<Foam::scalarField> Foam::basicThermo::h
+(
+    const scalarField& T,
+    const labelList& cells
+) const
+{
+    notImplemented
+    (
+        "basicThermo::h"
+        "(const scalarField& T, const labelList& cells) const"
+    );
+    return tmp<scalarField>(NULL);
+}
+
+
+Foam::tmp<Foam::scalarField> Foam::basicThermo::h
+(
+    const scalarField& T,
+    const label patchi
+) const
+{
+    notImplemented
+    (
+        "basicThermo::h"
+        "(const scalarField& T, const label patchi) const"
+    );
+    return tmp<scalarField>(NULL);
+}
+
+
+Foam::volScalarField& Foam::basicThermo::e()
+{
+    notImplemented("basicThermo::e()");
+    return const_cast<volScalarField&>(volScalarField::null());
+}
+
+
+const Foam::volScalarField& Foam::basicThermo::e() const
+{
+    notImplemented("basicThermo::e()");
+    return volScalarField::null();
+}
+
+
+Foam::tmp<Foam::scalarField> Foam::basicThermo::e
+(
+    const scalarField& T,
+    const labelList& cells
+) const
+{
+    notImplemented
+    (
+        "basicThermo::e"
+        "(const scalarField& T, const labelList& cells) const"
+    );
+    return tmp<scalarField>(NULL);
+}
+
+
+Foam::tmp<Foam::scalarField> Foam::basicThermo::e
+(
+    const scalarField& T,
+    const label patchi
+) const
+{
+    notImplemented
+    (
+        "basicThermo::e"
+        "(const scalarField& T, const label patchi) const"
+    );
+    return tmp<scalarField>(NULL);
+}
+
+
+const Foam::volScalarField& Foam::basicThermo::T() const
+{
+    return T_;
+}
+
+
+Foam::tmp<Foam::scalarField> Foam::basicThermo::Cp
+(
+    const scalarField& T,
+    const label patchi
+) const
+{
+    notImplemented
+    (
+        "basicThermo::Cp"
+        "(const scalarField& T, const label patchi) const"
+    );
+    return tmp<scalarField>(NULL);
+}
+
+
+Foam::tmp<Foam::volScalarField> Foam::basicThermo::Cp() const
+{
+    notImplemented("basicThermo::Cp() const");
+    return volScalarField::null();
+}
+
+
+Foam::tmp<Foam::scalarField> Foam::basicThermo::Cv
+(
+    const scalarField& T,
+    const label patchi
+) const
+{
+    notImplemented
+    (
+        "basicThermo::Cv"
+        "(const scalarField& T, const label patchi) const"
+    );
+    return tmp<scalarField>(NULL);
+}
+
+
+Foam::tmp<Foam::volScalarField> Foam::basicThermo::Cv() const
+{
+    notImplemented("basicThermo::Cv() const");
+    return volScalarField::null();
+}
+
+
+const Foam::volScalarField& Foam::basicThermo::mu() const
+{
+    return mu_;
+}
+
+
+const Foam::volScalarField& Foam::basicThermo::alpha() const
+{
+    return alpha_;
+}
+
+
+bool Foam::basicThermo::read()
 {
     return regIOobject::read();
 }
 
 
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-} // End namespace Foam
-
 // ************************************************************************* //

src/thermophysicalModels/basic/basicThermo/basicThermo.H

@@ -41,7 +41,6 @@ SourceFiles
 #include "typeInfo.H"
 #include "IOdictionary.H"
 #include "autoPtr.H"
-#include "runTimeSelectionTables.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
@@ -49,7 +48,7 @@ namespace Foam
 {
 
 /*---------------------------------------------------------------------------*\
-                           Class basicThermo Declaration
+                        Class basicThermo Declaration
 \*---------------------------------------------------------------------------*/
 
 class basicThermo
@@ -61,21 +60,45 @@ protected:
 
     // Protected data
 
-        volScalarField p_;
-        volScalarField T_;
-        volScalarField psi_;
+        // Fields
 
-        volScalarField mu_;
-        volScalarField alpha_;
+            //- Pressure [Pa]
+            volScalarField p_;
+
+            //- Compressibility [s^2/m^2]
+            volScalarField psi_;
+
+            //- Temperature [K]
+            volScalarField T_;
+
+            //- Laminar dynamic viscosity [kg/m/s]
+            volScalarField mu_;
+
+            //- Laminar thermal diffusuvity [kg/m/s]
+            volScalarField alpha_;
 
 
     // Protected member functions
 
-        wordList hBoundaryTypes();
-        void hBoundaryCorrection(volScalarField& h);
+        // Enthalpy
+
+            //- Return the enthalpy field boundary types by interrogating the
+            //  temperature field boundary types
+            wordList hBoundaryTypes();
+
+            //- Correct the enthalpy field boundaries
+            void hBoundaryCorrection(volScalarField& h);
+
+
+        // Internal energy
+
+            //- Return the internal energy  field boundary types by
+            //  interrogating the temperature field boundary types
+            wordList eBoundaryTypes();
+
+            //- Correct the internal energy field boundaries
+            void eBoundaryCorrection(volScalarField& e);
 
-        wordList eBoundaryTypes();
-        void eBoundaryCorrection(volScalarField& e);
 
         //- Construct as copy (not implemented)
         basicThermo(const basicThermo&);
@@ -87,29 +110,12 @@ public:
     TypeName("basicThermo");
 
 
-    // Declare run-time constructor selection table
-
-        declareRunTimeSelectionTable
-        (
-            autoPtr,
-            basicThermo,
-            fvMesh,
-            (const fvMesh& mesh),
-            (mesh)
-        );
-
-
     // Constructors
 
         //- Construct from mesh
         basicThermo(const fvMesh&);
 
 
-    // Selectors
-
-        static autoPtr<basicThermo> New(const fvMesh&);
-
-
     //- Destructor
     virtual ~basicThermo();
 
@@ -120,193 +126,101 @@ public:
         virtual void correct() = 0;
 
 
-        // Access to thermodynamic state variables.
+        // Access to thermodynamic state variables
 
             //- Pressure [Pa]
             //  Non-const access allowed for transport equations
-            virtual volScalarField& p()
-            {
-                return p_;
-            }
+            virtual volScalarField& p();
 
             //- Pressure [Pa]
-            virtual const volScalarField& p() const
-            {
-                return p_;
-            }
+            virtual const volScalarField& p() const;
+
+            //- Density [kg/m^3]
+            virtual tmp<volScalarField> rho() const = 0;
+
+            //- Compressibility [s^2/m^2]
+            virtual const volScalarField& psi() const;
 
             //- Enthalpy [J/kg]
             //  Non-const access allowed for transport equations
-            virtual volScalarField& h()
-            {
-                notImplemented("basicThermo::h()");
-                return const_cast<volScalarField&>(volScalarField::null());
-            }
+            virtual volScalarField& h();
 
             //- Enthalpy [J/kg]
-            virtual const volScalarField& h() const
-            {
-                notImplemented("basicThermo::h() const");
-                return volScalarField::null();
-            }
+            virtual const volScalarField& h() const;
 
             //- Enthalpy for cell-set [J/kg]
             virtual tmp<scalarField> h
             (
                 const scalarField& T,
                 const labelList& cells
-            ) const
-            {
-                notImplemented
-                (
-                    "basicThermo::h"
-                    "(const scalarField& T, const labelList& cells) const"
-                );
-                return tmp<scalarField>(NULL);
-            }
+            ) const;
 
             //- Enthalpy for patch [J/kg]
             virtual tmp<scalarField> h
             (
                 const scalarField& T,
                 const label patchi
-            ) const
-            {
-                notImplemented
-                (
-                    "basicThermo::h"
-                    "(const scalarField& T, const label patchi) const"
-                );
-                return tmp<scalarField>(NULL);
-            }
+            ) const;
 
             //- Internal energy [J/kg]
             //  Non-const access allowed for transport equations
-            virtual volScalarField& e()
-            {
-                notImplemented("basicThermo::e()");
-                return const_cast<volScalarField&>(volScalarField::null());
-            }
+            virtual volScalarField& e();
 
             //- Internal energy [J/kg]
-            virtual const volScalarField& e() const
-            {
-                notImplemented("basicThermo::e()");
-                return volScalarField::null();
-            }
+            virtual const volScalarField& e() const;
 
             //- Internal energy for cell-set [J/kg]
             virtual tmp<scalarField> e
             (
                 const scalarField& T,
                 const labelList& cells
-            ) const
-            {
-                notImplemented
-                (
-                    "basicThermo::e"
-                    "(const scalarField& T, const labelList& cells) const"
-                );
-                return tmp<scalarField>(NULL);
-            }
+            ) const;
 
             //-Internal energy for patch [J/kg]
             virtual tmp<scalarField> e
             (
                 const scalarField& T,
                 const label patchi
-            ) const
-            {
-                notImplemented
-                (
-                    "basicThermo::e"
-                    "(const scalarField& T, const label patchi) const"
-                );
-                return tmp<scalarField>(NULL);
-            }
+            ) const;
+
 
         // Fields derived from thermodynamic state variables
 
             //- Temperature [K]
-            virtual const volScalarField& T() const
-            {
-                return T_;
-            }
-
-            //- Density [kg/m^3]
-            virtual tmp<volScalarField> rho() const
-            {
-                return p_*psi();
-            }
-
-            //- Compressibility [s^2/m^2]
-            virtual const volScalarField& psi() const
-            {
-                return psi_;
-            }
+            virtual const volScalarField& T() const;
 
             //- Heat capacity at constant pressure for patch [J/kg/K]
             virtual tmp<scalarField> Cp
             (
                 const scalarField& T,
                 const label patchi
-            ) const
-            {
-                notImplemented
-                (
-                    "basicThermo::Cp"
-                    "(const scalarField& T, const label patchi) const"
-                );
-                return tmp<scalarField>(NULL);
-            }
+            ) const;
 
             //- Heat capacity at constant pressure [J/kg/K]
-            virtual tmp<volScalarField> Cp() const
-            {
-                notImplemented("basicThermo::Cp() const");
-                return volScalarField::null();
-            }
+            virtual tmp<volScalarField> Cp() const;
 
             //- Heat capacity at constant volume for patch [J/kg/K]
             virtual tmp<scalarField> Cv
             (
                 const scalarField& T,
                 const label patchi
-            ) const
-            {
-                notImplemented
-                (
-                    "basicThermo::Cv"
-                    "(const scalarField& T, const label patchi) const"
-                );
-                return tmp<scalarField>(NULL);
-            }
+            ) const;
 
             //- Heat capacity at constant volume [J/kg/K]
-            virtual tmp<volScalarField> Cv() const
-            {
-                notImplemented("basicThermo::Cv() const");
-                return volScalarField::null();
-            }
+            virtual tmp<volScalarField> Cv() const;
 
 
         // Access to transport state variables
 
-            //- Dynamic viscosity of mixture [kg/ms]
-            virtual const volScalarField& mu() const
-            {
-                return mu_;
-            }
+            //- Dynamic viscosity of mixture [kg/m/s]
+            virtual const volScalarField& mu() const;
 
-            //- Thermal diffusivity for enthalpy of mixture [kg/ms]
-            virtual const volScalarField& alpha() const
-            {
-                return alpha_;
-            }
+            //- Thermal diffusivity for enthalpy of mixture [kg/m/s]
+            virtual const volScalarField& alpha() const;
 
 
         //- Read thermophysicalProperties dictionary
-        virtual bool read() = 0;
+        virtual bool read();
 };
 
 

src/thermophysicalModels/basic/mixtures/basicMixture/basicMixture.C

@@ -22,8 +22,6 @@ License
     along with OpenFOAM; if not, write to the Free Software Foundation,
     Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
 
-Description
-
 \*---------------------------------------------------------------------------*/
 
 #include "error.H"

src/thermophysicalModels/basic/mixtures/basicMixture/basicMixture.H

@@ -47,7 +47,7 @@ class fvMesh;
 class dictionary;
 
 /*---------------------------------------------------------------------------*\
-                           Class basicMixture Declaration
+                        Class basicMixture Declaration
 \*---------------------------------------------------------------------------*/
 
 class basicMixture
@@ -65,9 +65,8 @@ public:
         basicMixture(const dictionary&, const fvMesh&);
 
 
-    // Destructor
-
-        virtual ~basicMixture();
+    //- Destructor
+    virtual ~basicMixture();
 };
 
 

src/thermophysicalModels/basic/mixtures/basicMixture/basicMixtures.C

@@ -23,7 +23,7 @@ License
     Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
 
 Description
-    Selection function for internal energy based thermodynamics package.
+    Mixture instantiation
 
 \*---------------------------------------------------------------------------*/
 

src/thermophysicalModels/basic/psiThermo/basicPsiThermo/basicPsiThermo.C

@@ -24,40 +24,29 @@ License
 
 \*---------------------------------------------------------------------------*/
 
-#include "zeroGradientFvPatchFields.H"
+#include "basicPsiThermo.H"
 
-// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-inline Foam::tmp<Foam::volScalarField> Foam::chemistryModel::RR
-(
-    const label i
-) const
+namespace Foam
 {
-    tmp<volScalarField> tRR
-    (
-        new volScalarField
-        (
-            IOobject
-            (
-                "RR(" + Y_[i].name() + ')',
-                rho_.time().timeName(),
-                rho_.db(),
-                IOobject::NO_READ,
-                IOobject::NO_WRITE
-            ),
-            rho_.mesh(),
-            dimensionedScalar("zero", dimensionSet(1, -3, -1, 0, 0), 0.0),
-            zeroGradientFvPatchScalarField::typeName
-        )
-    );
-
-    if (chemistry_)
-    {
-        tRR().internalField() = RR_[i];
-        tRR().correctBoundaryConditions();
-    }
-    return tRR;
+    defineTypeNameAndDebug(basicPsiThermo, 0);
+    defineRunTimeSelectionTable(basicPsiThermo, fvMesh);
 }
 
 
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+Foam::basicPsiThermo::basicPsiThermo(const fvMesh& mesh)
+:
+    basicThermo(mesh)
+{}
+
+
+// * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
+
+Foam::basicPsiThermo::~basicPsiThermo()
+{}
+
+
 // ************************************************************************* //

src/thermophysicalModels/basic/psiThermo/basicPsiThermo/basicPsiThermo.H

@@ -0,0 +1,114 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+     \\/     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 2 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, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+Class
+    Foam::basicPsiThermo
+
+Description
+    Basic thermodynamic properties based on compressibility
+
+SourceFiles
+    basicPsiThermo.C
+    newBasicPsiThermo.C
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef basicPsiThermo_H
+#define basicPsiThermo_H
+
+#include "basicThermo.H"
+#include "runTimeSelectionTables.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+/*---------------------------------------------------------------------------*\
+                         Class basicPsiThermo Declaration
+\*---------------------------------------------------------------------------*/
+
+class basicPsiThermo
+:
+    public basicThermo
+{
+
+protected:
+
+    // Protected member functions
+
+        //- Construct as copy (not implemented)
+        basicPsiThermo(const basicPsiThermo&);
+
+
+public:
+
+    //- Runtime type information
+    TypeName("basicPsiThermo");
+
+
+    //- Declare run-time constructor selection table
+    declareRunTimeSelectionTable
+    (
+        autoPtr,
+        basicPsiThermo,
+        fvMesh,
+        (const fvMesh& mesh),
+        (mesh)
+    );
+
+    // Constructors
+
+        //- Construct from mesh
+        basicPsiThermo(const fvMesh&);
+
+
+    //- Selector
+    static autoPtr<basicPsiThermo> New(const fvMesh&);
+
+    //- Destructor
+    virtual ~basicPsiThermo();
+
+
+    // Member functions
+
+        // Fields derived from thermodynamic state variables
+
+            //- Density [kg/m^3] - uses current value of pressure
+            virtual tmp<volScalarField> rho() const
+            {
+                return p_*psi();
+            }
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //

src/thermophysicalModels/basic/psiThermo/basicPsiThermo/makeBasicPsiThermo.H

@@ -23,39 +23,38 @@ License
     Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
 
 InClass
-    Foam::hCombustionThermo
+    Foam::basicPsiThermo
 
 Description
+    Macros for creating 'basic' compresibility-based thermo packages
 
 \*---------------------------------------------------------------------------*/
 
-#ifndef makeCombustionThermo_H
-#define makeCombustionThermo_H
+#ifndef makeBasicPsiThermo_H
+#define makeBasicPsiThermo_H
+
+#include "basicPsiThermo.H"
+#include "addToRunTimeSelectionTable.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-#define makeCombustionThermo(CThermo,MixtureThermo,Mixture,Transport,Thermo,EqnOfState)  \
+#define makeBasicPsiThermo(Cthermo,Mixture,Transport,Thermo,EqnOfState)       \
                                                                               \
-typedef MixtureThermo                                                         \
-    <Mixture<Transport<specieThermo<Thermo<EqnOfState> > > > >                \
-    MixtureThermo##Mixture##Transport##Thermo##EqnOfState;                    \
+typedef Cthermo<Mixture<Transport<specieThermo<Thermo<EqnOfState> > > > >     \
+    Cthermo##Mixture##Transport##Thermo##EqnOfState;                          \
                                                                               \
 defineTemplateTypeNameAndDebugWithName                                        \
-    (MixtureThermo##Mixture##Transport##Thermo##EqnOfState,                   \
-    #MixtureThermo                                                            \
-    "<"#Mixture"<"#Transport"<specieThermo<"#Thermo"<"#EqnOfState">>>>>", 0); \
-                                                                              \
-addToRunTimeSelectionTable                                                    \
 (                                                                             \
-    basicThermo,                                                              \
-    MixtureThermo##Mixture##Transport##Thermo##EqnOfState,                    \
-    fvMesh                                                                    \
+    Cthermo##Mixture##Transport##Thermo##EqnOfState,                          \
+    #Cthermo                                                                  \
+        "<"#Mixture"<"#Transport"<specieThermo<"#Thermo"<"#EqnOfState">>>>>", \
+    0                                                                         \
 );                                                                            \
                                                                               \
 addToRunTimeSelectionTable                                                    \
 (                                                                             \
-    CThermo,                                                                  \
-    MixtureThermo##Mixture##Transport##Thermo##EqnOfState,                    \
+    basicPsiThermo,                                                           \
+    Cthermo##Mixture##Transport##Thermo##EqnOfState,                          \
     fvMesh                                                                    \
 )
 

src/thermophysicalModels/basic/psiThermo/basicPsiThermo/newBasicPsiThermo.C

@@ -24,19 +24,16 @@ License
 
 \*---------------------------------------------------------------------------*/
 
-#include "hCombustionThermo.H"
-#include "fvMesh.H"
+#include "basicPsiThermo.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-namespace Foam
+Foam::autoPtr<Foam::basicPsiThermo> Foam::basicPsiThermo::New
+(
+    const fvMesh& mesh
+)
 {
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-autoPtr<hCombustionThermo> hCombustionThermo::New(const fvMesh& mesh)
-{
-    word hCombustionThermoTypeName;
+    word thermoTypeName;
 
     // Enclose the creation of the thermophysicalProperties to ensure it is
     // deleted before the turbulenceModel is created otherwise the dictionary
@@ -54,31 +51,25 @@ autoPtr<hCombustionThermo> hCombustionThermo::New(const fvMesh& mesh)
             )
         );
 
-        thermoDict.lookup("thermoType") >> hCombustionThermoTypeName;
+        thermoDict.lookup("thermoType") >> thermoTypeName;
     }
 
-    Info<< "Selecting thermodynamics package "
-        << hCombustionThermoTypeName << endl;
+    Info<< "Selecting thermodynamics package " << thermoTypeName << endl;
 
     fvMeshConstructorTable::iterator cstrIter =
-        fvMeshConstructorTablePtr_->find(hCombustionThermoTypeName);
+        fvMeshConstructorTablePtr_->find(thermoTypeName);
 
     if (cstrIter == fvMeshConstructorTablePtr_->end())
     {
-        FatalErrorIn("hCombustionThermo::New(const fvMesh&)")
-            << "Unknown hCombustionThermo type "
-            << hCombustionThermoTypeName << endl << endl
-            << "Valid hCombustionThermo types are :" << endl
-            << fvMeshConstructorTablePtr_->toc()
+        FatalErrorIn("basicPsiThermo::New(const fvMesh&)")
+            << "Unknown basicPsiThermo type " << thermoTypeName << nl << nl
+            << "Valid basicPsiThermo types are:" << nl
+            << fvMeshConstructorTablePtr_->toc() << nl
             << exit(FatalError);
     }
 
-    return autoPtr<hCombustionThermo>(cstrIter()(mesh));
+    return autoPtr<basicPsiThermo>(cstrIter()(mesh));
 }
 
 
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-} // End namespace Foam
-
 // ************************************************************************* //

src/thermophysicalModels/basic/psiThermo/ePsiThermo/ePsiThermo.C

@@ -24,72 +24,22 @@ License
 
 \*---------------------------------------------------------------------------*/
 
-#include "eThermo.H"
+#include "ePsiThermo.H"
 #include "fvMesh.H"
 #include "fixedValueFvPatchFields.H"
 
-// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
-
-template<class MixtureType>
-Foam::eThermo<MixtureType>::eThermo(const fvMesh& mesh)
-:
-    basicThermo(mesh),
-    MixtureType(*this, mesh),
-
-    e_
-    (
-        IOobject
-        (
-            "e",
-            mesh.time().timeName(),
-            mesh,
-            IOobject::NO_READ,
-            IOobject::NO_WRITE
-        ),
-        mesh,
-        dimensionSet(0, 2, -2, 0, 0),
-        eBoundaryTypes()
-    )
-{
-    scalarField& eCells = e_.internalField();
-    const scalarField& TCells = T_.internalField();
-
-    forAll(eCells, celli)
-    {
-        eCells[celli] = this->cellMixture(celli).E(TCells[celli]);
-    }
-
-    forAll(e_.boundaryField(), patchi)
-    {
-        e_.boundaryField()[patchi] == e(T_.boundaryField()[patchi], patchi);
-    }
-
-    eBoundaryCorrection(e_);
-
-    calculate();
-    psi_.oldTime();   // Switch on saving old time
-}
-
-
-// * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
-
-template<class MixtureType>
-Foam::eThermo<MixtureType>::~eThermo()
-{}
-
-
 // * * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * //
 
 template<class MixtureType>
-void Foam::eThermo<MixtureType>::calculate()
+void Foam::ePsiThermo<MixtureType>::calculate()
 {
     const scalarField& eCells = e_.internalField();
-    const scalarField& pCells = p_.internalField();
+    const scalarField& pCells = this->p_.internalField();
 
-    scalarField& TCells = T_.internalField();
-    scalarField& psiCells = psi_.internalField();
-    scalarField& muCells = mu_.internalField();
-    scalarField& alphaCells = alpha_.internalField();
+    scalarField& TCells = this->T_.internalField();
+    scalarField& psiCells = this->psi_.internalField();
+    scalarField& muCells = this->mu_.internalField();
+    scalarField& alphaCells = this->alpha_.internalField();
 
     forAll(TCells, celli)
     {
@@ -103,16 +53,16 @@ void Foam::eThermo<MixtureType>::calculate()
         alphaCells[celli] = mixture_.alpha(TCells[celli]);
     }
 
-    forAll(T_.boundaryField(), patchi)
+    forAll(this->T_.boundaryField(), patchi)
     {
-        fvPatchScalarField& pp = p_.boundaryField()[patchi];
-        fvPatchScalarField& pT = T_.boundaryField()[patchi];
-        fvPatchScalarField& ppsi = psi_.boundaryField()[patchi];
+        fvPatchScalarField& pp = this->p_.boundaryField()[patchi];
+        fvPatchScalarField& pT = this->T_.boundaryField()[patchi];
+        fvPatchScalarField& ppsi = this->psi_.boundaryField()[patchi];
 
         fvPatchScalarField& pe = e_.boundaryField()[patchi];
 
-        fvPatchScalarField& pmu = mu_.boundaryField()[patchi];
-        fvPatchScalarField& palpha = alpha_.boundaryField()[patchi];
+        fvPatchScalarField& pmu = this->mu_.boundaryField()[patchi];
+        fvPatchScalarField& palpha = this->alpha_.boundaryField()[patchi];
 
         if (pT.fixesValue())
         {
@@ -146,30 +96,83 @@ void Foam::eThermo<MixtureType>::calculate()
 }
 
 
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+template<class MixtureType>
+Foam::ePsiThermo<MixtureType>::ePsiThermo(const fvMesh& mesh)
+:
+    basicPsiThermo(mesh),
+    MixtureType(*this, mesh),
+
+    e_
+    (
+        IOobject
+        (
+            "e",
+            mesh.time().timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::NO_WRITE
+        ),
+        mesh,
+        dimensionSet(0, 2, -2, 0, 0),
+        this->eBoundaryTypes()
+    )
+{
+    scalarField& eCells = e_.internalField();
+    const scalarField& TCells = this->T_.internalField();
+
+    forAll(eCells, celli)
+    {
+        eCells[celli] = this->cellMixture(celli).E(TCells[celli]);
+    }
+
+    forAll(e_.boundaryField(), patchi)
+    {
+        e_.boundaryField()[patchi] ==
+            e(this->T_.boundaryField()[patchi], patchi);
+    }
+
+    this->eBoundaryCorrection(e_);
+
+    calculate();
+
+    // Switch on saving old time
+    this->psi_.oldTime();
+}
+
+
+// * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
+
+template<class MixtureType>
+Foam::ePsiThermo<MixtureType>::~ePsiThermo()
+{}
+
+
 // * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
 
 template<class MixtureType>
-void Foam::eThermo<MixtureType>::correct()
+void Foam::ePsiThermo<MixtureType>::correct()
 {
     if (debug)
     {
-        Info<< "entering eThermo<MixtureType>::correct()" << endl;
+        Info<< "entering ePsiThermo<MixtureType>::correct()" << endl;
     }
 
     // force the saving of the old-time values
-    psi_.oldTime();
+    this->psi_.oldTime();
 
     calculate();
 
     if (debug)
     {
-        Info<< "exiting eThermo<MixtureType>::correct()" << endl;
+        Info<< "exiting ePsiThermo<MixtureType>::correct()" << endl;
     }
 }
 
 
 template<class MixtureType>
-Foam::tmp<Foam::scalarField> Foam::eThermo<MixtureType>::e
+Foam::tmp<Foam::scalarField> Foam::ePsiThermo<MixtureType>::e
 (
     const scalarField& T,
     const labelList& cells
@@ -188,7 +191,7 @@ Foam::tmp<Foam::scalarField> Foam::eThermo<MixtureType>::e
 
 
 template<class MixtureType>
-Foam::tmp<Foam::scalarField> Foam::eThermo<MixtureType>::e
+Foam::tmp<Foam::scalarField> Foam::ePsiThermo<MixtureType>::e
 (
     const scalarField& T,
     const label patchi
@@ -205,8 +208,9 @@ Foam::tmp<Foam::scalarField> Foam::eThermo<MixtureType>::e
     return te;
 }
 
+
 template<class MixtureType>
-Foam::tmp<Foam::scalarField> Foam::eThermo<MixtureType>::Cp
+Foam::tmp<Foam::scalarField> Foam::ePsiThermo<MixtureType>::Cp
 (
     const scalarField& T,
     const label patchi
@@ -223,10 +227,11 @@ Foam::tmp<Foam::scalarField> Foam::eThermo<MixtureType>::Cp
     return tCp;
 }
 
+
 template<class MixtureType>
-Foam::tmp<Foam::volScalarField> Foam::eThermo<MixtureType>::Cp() const
+Foam::tmp<Foam::volScalarField> Foam::ePsiThermo<MixtureType>::Cp() const
 {
-    const fvMesh& mesh = T_.mesh();
+    const fvMesh& mesh = this->T_.mesh();
 
     tmp<volScalarField> tCp
     (
@@ -242,20 +247,20 @@ Foam::tmp<Foam::volScalarField> Foam::eThermo<MixtureType>::Cp() const
             ),
             mesh,
             dimensionSet(0, 2, -2, -1, 0),
-            T_.boundaryField().types()
+            this->T_.boundaryField().types()
         )
     );
 
     volScalarField& cp = tCp();
 
-    forAll(T_, celli)
+    forAll(this->T_, celli)
     {
-        cp[celli] = this->cellMixture(celli).Cp(T_[celli]);
+        cp[celli] = this->cellMixture(celli).Cp(this->T_[celli]);
     }
 
-    forAll(T_.boundaryField(), patchi)
+    forAll(this->T_.boundaryField(), patchi)
     {
-        const fvPatchScalarField& pT = T_.boundaryField()[patchi];
+        const fvPatchScalarField& pT = this->T_.boundaryField()[patchi];
         fvPatchScalarField& pCp = cp.boundaryField()[patchi];
 
         forAll(pT, facei)
@@ -269,7 +274,7 @@ Foam::tmp<Foam::volScalarField> Foam::eThermo<MixtureType>::Cp() const
 
 
 template<class MixtureType>
-Foam::tmp<Foam::scalarField> Foam::eThermo<MixtureType>::Cv
+Foam::tmp<Foam::scalarField> Foam::ePsiThermo<MixtureType>::Cv
 (
     const scalarField& T,
     const label patchi
@@ -288,9 +293,9 @@ Foam::tmp<Foam::scalarField> Foam::eThermo<MixtureType>::Cv
 
 
 template<class MixtureType>
-Foam::tmp<Foam::volScalarField> Foam::eThermo<MixtureType>::Cv() const
+Foam::tmp<Foam::volScalarField> Foam::ePsiThermo<MixtureType>::Cv() const
 {
-    const fvMesh& mesh = T_.mesh();
+    const fvMesh& mesh = this->T_.mesh();
 
     tmp<volScalarField> tCv
     (
@@ -311,14 +316,15 @@ Foam::tmp<Foam::volScalarField> Foam::eThermo<MixtureType>::Cv() const
 
     volScalarField& cv = tCv();
 
-    forAll(T_, celli)
+    forAll(this->T_, celli)
     {
-        cv[celli] = this->cellMixture(celli).Cv(T_[celli]);
+        cv[celli] = this->cellMixture(celli).Cv(this->T_[celli]);
     }
 
-    forAll(T_.boundaryField(), patchi)
+    forAll(this->T_.boundaryField(), patchi)
     {
-        cv.boundaryField()[patchi] = Cv(T_.boundaryField()[patchi], patchi);
+        cv.boundaryField()[patchi] =
+            Cv(this->T_.boundaryField()[patchi], patchi);
     }
 
     return tCv;
@@ -326,9 +332,9 @@ Foam::tmp<Foam::volScalarField> Foam::eThermo<MixtureType>::Cv() const
 
 
 template<class MixtureType>
-bool Foam::eThermo<MixtureType>::read()
+bool Foam::ePsiThermo<MixtureType>::read()
 {
-    if (basicThermo::read())
+    if (basicPsiThermo::read())
     {
         MixtureType::read(*this);
         return true;

src/thermophysicalModels/basic/psiThermo/ePsiThermo/ePsiThermo.H

@@ -23,20 +23,20 @@ License
     Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
 
 Class
-    Foam::eThermo
+    Foam::ePsiThermo
 
 Description
-    Internal energy for a mixture
+    Internal energy for a mixture based on compressibility
 
 SourceFiles
-    eThermo.C
+    ePsiThermo.C
 
 \*---------------------------------------------------------------------------*/
 
-#ifndef eThermo_H
-#define eThermo_H
+#ifndef ePsiThermo_H
+#define ePsiThermo_H
 
-#include "basicThermo.H"
+#include "basicPsiThermo.H"
 #include "basicMixture.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@@ -45,42 +45,44 @@ namespace Foam
 {
 
 /*---------------------------------------------------------------------------*\
-                           Class eThermo Declaration
+                         Class ePsiThermo Declaration
 \*---------------------------------------------------------------------------*/
 
 template<class MixtureType>
-class eThermo
+class ePsiThermo
 :
-    public basicThermo,
+    public basicPsiThermo,
     public MixtureType
 {
     // Private data
 
+        //- Internal energy field
         volScalarField e_;
 
 
     // Private member functions
 
+        //- Calculate the thermo variables
         void calculate();
 
         //- Construct as copy (not implemented)
-        eThermo(const eThermo<MixtureType>&);
+        ePsiThermo(const ePsiThermo<MixtureType>&);
 
 
 public:
 
     //- Runtime type information
-    TypeName("eThermo");
+    TypeName("ePsiThermo");
 
 
     // Constructors
 
         //- Construct from mese
-        eThermo(const fvMesh&);
+        ePsiThermo(const fvMesh&);
 
 
     //- Destructor
-    virtual ~eThermo();
+    virtual ~ePsiThermo();
 
 
     // Member functions
@@ -166,7 +168,7 @@ public:
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * *
 
 #ifdef NoRepository
-#   include "eThermo.C"
+#   include "ePsiThermo.C"
 #endif
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

src/thermophysicalModels/basic/psiThermo/ePsiThermo/ePsiThermos.C

@@ -22,15 +22,9 @@ License
     along with OpenFOAM; if not, write to the Free Software Foundation,
     Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
 
-Description
-    Selection function for internal energy based thermodynamics package.
-
 \*---------------------------------------------------------------------------*/
 
-#include "error.H"
-
-#include "basicThermo.H"
-#include "makeBasicThermo.H"
+#include "makeBasicPsiThermo.H"
 
 #include "perfectGas.H"
 
@@ -41,11 +35,9 @@ Description
 #include "constTransport.H"
 #include "sutherlandTransport.H"
 
-#include "hThermo.H"
+#include "ePsiThermo.H"
 #include "pureMixture.H"
 
-#include "addToRunTimeSelectionTable.H"
-
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
 namespace Foam
@@ -53,34 +45,34 @@ namespace Foam
 
 /* * * * * * * * * * * * * * * private static data * * * * * * * * * * * * * */
 
-
-makeBasicThermo
+makeBasicPsiThermo
 (
-    hThermo,
+    ePsiThermo,
     pureMixture,
     constTransport,
     hConstThermo,
     perfectGas
 );
 
-makeBasicThermo
+makeBasicPsiThermo
 (
-    hThermo,
+    ePsiThermo,
     pureMixture,
     sutherlandTransport,
     hConstThermo,
     perfectGas
 );
 
-makeBasicThermo
+makeBasicPsiThermo
 (
-    hThermo,
+    ePsiThermo,
     pureMixture,
     sutherlandTransport,
     janafThermo,
     perfectGas
 );
 
+
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
 } // End namespace Foam

src/thermophysicalModels/basic/psiThermo/hPsiThermo/hPsiThermo.C

@@ -24,72 +24,20 @@ License
 
 \*---------------------------------------------------------------------------*/
 
-#include "hThermo.H"
-#include "fvMesh.H"
-#include "fixedValueFvPatchFields.H"
-
-// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
-
-template<class MixtureType>
-Foam::hThermo<MixtureType>::hThermo(const fvMesh& mesh)
-:
-    basicThermo(mesh),
-    MixtureType(*this, mesh),
-
-    h_
-    (
-        IOobject
-        (
-            "h",
-            mesh.time().timeName(),
-            mesh,
-            IOobject::NO_READ,
-            IOobject::NO_WRITE
-        ),
-        mesh,
-        dimensionSet(0, 2, -2, 0, 0),
-        hBoundaryTypes()
-    )
-{
-    scalarField& hCells = h_.internalField();
-    const scalarField& TCells = T_.internalField();
-
-    forAll(hCells, celli)
-    {
-        hCells[celli] = this->cellMixture(celli).H(TCells[celli]);
-    }
-
-    forAll(h_.boundaryField(), patchi)
-    {
-        h_.boundaryField()[patchi] == h(T_.boundaryField()[patchi], patchi);
-    }
-
-    hBoundaryCorrection(h_);
-
-    calculate();
-    psi_.oldTime();   // Switch on saving old time
-}
-
-
-// * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
-
-template<class MixtureType>
-Foam::hThermo<MixtureType>::~hThermo()
-{}
-
+#include "hPsiThermo.H"
 
 // * * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * //
 
 template<class MixtureType>
-void Foam::hThermo<MixtureType>::calculate()
+void Foam::hPsiThermo<MixtureType>::calculate()
 {
     const scalarField& hCells = h_.internalField();
-    const scalarField& pCells = p_.internalField();
+    const scalarField& pCells = this->p_.internalField();
 
-    scalarField& TCells = T_.internalField();
-    scalarField& psiCells = psi_.internalField();
-    scalarField& muCells = mu_.internalField();
-    scalarField& alphaCells = alpha_.internalField();
+    scalarField& TCells = this->T_.internalField();
+    scalarField& psiCells = this->psi_.internalField();
+    scalarField& muCells = this->mu_.internalField();
+    scalarField& alphaCells = this->alpha_.internalField();
 
     forAll(TCells, celli)
     {
@@ -105,14 +53,14 @@ void Foam::hThermo<MixtureType>::calculate()
 
     forAll(T_.boundaryField(), patchi)
     {
-        fvPatchScalarField& pp = p_.boundaryField()[patchi];
-        fvPatchScalarField& pT = T_.boundaryField()[patchi];
-        fvPatchScalarField& ppsi = psi_.boundaryField()[patchi];
+        fvPatchScalarField& pp = this->p_.boundaryField()[patchi];
+        fvPatchScalarField& pT = this->T_.boundaryField()[patchi];
+        fvPatchScalarField& ppsi = this->psi_.boundaryField()[patchi];
 
         fvPatchScalarField& ph = h_.boundaryField()[patchi];
 
-        fvPatchScalarField& pmu = mu_.boundaryField()[patchi];
-        fvPatchScalarField& palpha = alpha_.boundaryField()[patchi];
+        fvPatchScalarField& pmu = this->mu_.boundaryField()[patchi];
+        fvPatchScalarField& palpha = this->alpha_.boundaryField()[patchi];
 
         if (pT.fixesValue())
         {
@@ -146,30 +94,83 @@ void Foam::hThermo<MixtureType>::calculate()
 }
 
 
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+template<class MixtureType>
+Foam::hPsiThermo<MixtureType>::hPsiThermo(const fvMesh& mesh)
+:
+    basicPsiThermo(mesh),
+    MixtureType(*this, mesh),
+
+    h_
+    (
+        IOobject
+        (
+            "h",
+            mesh.time().timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::NO_WRITE
+        ),
+        mesh,
+        dimensionSet(0, 2, -2, 0, 0),
+        this->hBoundaryTypes()
+    )
+{
+    scalarField& hCells = h_.internalField();
+    const scalarField& TCells = this->T_.internalField();
+
+    forAll(hCells, celli)
+    {
+        hCells[celli] = this->cellMixture(celli).H(TCells[celli]);
+    }
+
+    forAll(h_.boundaryField(), patchi)
+    {
+        h_.boundaryField()[patchi] ==
+            h(this->T_.boundaryField()[patchi], patchi);
+    }
+
+    hBoundaryCorrection(h_);
+
+    calculate();
+
+    // Switch on saving old time
+    this->psi_.oldTime();
+}
+
+
+// * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
+
+template<class MixtureType>
+Foam::hPsiThermo<MixtureType>::~hPsiThermo()
+{}
+
+
 // * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
 
 template<class MixtureType>
-void Foam::hThermo<MixtureType>::correct()
+void Foam::hPsiThermo<MixtureType>::correct()
 {
     if (debug)
     {
-        Info<< "entering hThermo<MixtureType>::correct()" << endl;
+        Info<< "entering hPsiThermo<MixtureType>::correct()" << endl;
     }
 
     // force the saving of the old-time values
-    psi_.oldTime();
+    this->psi_.oldTime();
 
     calculate();
 
     if (debug)
     {
-        Info<< "exiting hThermo<MixtureType>::correct()" << endl;
+        Info<< "exiting hPsiThermo<MixtureType>::correct()" << endl;
     }
 }
 
 
 template<class MixtureType>
-Foam::tmp<Foam::scalarField> Foam::hThermo<MixtureType>::h
+Foam::tmp<Foam::scalarField> Foam::hPsiThermo<MixtureType>::h
 (
     const scalarField& T,
     const labelList& cells
@@ -188,7 +189,7 @@ Foam::tmp<Foam::scalarField> Foam::hThermo<MixtureType>::h
 
 
 template<class MixtureType>
-Foam::tmp<Foam::scalarField> Foam::hThermo<MixtureType>::h
+Foam::tmp<Foam::scalarField> Foam::hPsiThermo<MixtureType>::h
 (
     const scalarField& T,
     const label patchi
@@ -205,8 +206,9 @@ Foam::tmp<Foam::scalarField> Foam::hThermo<MixtureType>::h
     return th;
 }
 
+
 template<class MixtureType>
-Foam::tmp<Foam::scalarField> Foam::hThermo<MixtureType>::Cp
+Foam::tmp<Foam::scalarField> Foam::hPsiThermo<MixtureType>::Cp
 (
     const scalarField& T,
     const label patchi
@@ -223,10 +225,11 @@ Foam::tmp<Foam::scalarField> Foam::hThermo<MixtureType>::Cp
     return tCp;
 }
 
+
 template<class MixtureType>
-Foam::tmp<Foam::volScalarField> Foam::hThermo<MixtureType>::Cp() const
+Foam::tmp<Foam::volScalarField> Foam::hPsiThermo<MixtureType>::Cp() const
 {
-    const fvMesh& mesh = T_.mesh();
+    const fvMesh& mesh = this->T_.mesh();
 
     tmp<volScalarField> tCp
     (
@@ -242,20 +245,20 @@ Foam::tmp<Foam::volScalarField> Foam::hThermo<MixtureType>::Cp() const
             ),
             mesh,
             dimensionSet(0, 2, -2, -1, 0),
-            T_.boundaryField().types()
+            this->T_.boundaryField().types()
         )
     );
 
     volScalarField& cp = tCp();
 
-    forAll(T_, celli)
+    forAll(this->T_, celli)
     {
-        cp[celli] = this->cellMixture(celli).Cp(T_[celli]);
+        cp[celli] = this->cellMixture(celli).Cp(this->T_[celli]);
     }
 
-    forAll(T_.boundaryField(), patchi)
+    forAll(this->T_.boundaryField(), patchi)
     {
-        const fvPatchScalarField& pT = T_.boundaryField()[patchi];
+        const fvPatchScalarField& pT = this->T_.boundaryField()[patchi];
         fvPatchScalarField& pCp = cp.boundaryField()[patchi];
 
         forAll(pT, facei)
@@ -269,7 +272,7 @@ Foam::tmp<Foam::volScalarField> Foam::hThermo<MixtureType>::Cp() const
 
 
 template<class MixtureType>
-Foam::tmp<Foam::scalarField> Foam::hThermo<MixtureType>::Cv
+Foam::tmp<Foam::scalarField> Foam::hPsiThermo<MixtureType>::Cv
 (
     const scalarField& T,
     const label patchi
@@ -288,9 +291,9 @@ Foam::tmp<Foam::scalarField> Foam::hThermo<MixtureType>::Cv
 
 
 template<class MixtureType>
-Foam::tmp<Foam::volScalarField> Foam::hThermo<MixtureType>::Cv() const
+Foam::tmp<Foam::volScalarField> Foam::hPsiThermo<MixtureType>::Cv() const
 {
-    const fvMesh& mesh = T_.mesh();
+    const fvMesh& mesh = this->T_.mesh();
 
     tmp<volScalarField> tCv
     (
@@ -311,23 +314,25 @@ Foam::tmp<Foam::volScalarField> Foam::hThermo<MixtureType>::Cv() const
 
     volScalarField& cv = tCv();
 
-    forAll(T_, celli)
+    forAll(this->T_, celli)
     {
-        cv[celli] = this->cellMixture(celli).Cv(T_[celli]);
+        cv[celli] = this->cellMixture(celli).Cv(this->T_[celli]);
     }
 
-    forAll(T_.boundaryField(), patchi)
+    forAll(this->T_.boundaryField(), patchi)
     {
-        cv.boundaryField()[patchi] = Cv(T_.boundaryField()[patchi], patchi);
+        cv.boundaryField()[patchi] =
+            Cv(this->T_.boundaryField()[patchi], patchi);
     }
 
     return tCv;
 }
 
+
 template<class MixtureType>
-bool Foam::hThermo<MixtureType>::read()
+bool Foam::hPsiThermo<MixtureType>::read()
 {
-    if (basicThermo::read())
+    if (basicPsiThermo::read())
     {
         MixtureType::read(*this);
         return true;

src/thermophysicalModels/basic/psiThermo/hPsiThermo/hPsiThermo.H

@@ -0,0 +1,178 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+     \\/     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 2 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, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+Class
+    Foam::hPsiThermo
+
+Description
+    Enthalpy for a mixture based on compressibility
+
+SourceFiles
+    hPsiThermo.C
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef hPsiThermo_H
+#define hPsiThermo_H
+
+#include "basicPsiThermo.H"
+#include "basicMixture.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+/*---------------------------------------------------------------------------*\
+                         Class hPsiThermo Declaration
+\*---------------------------------------------------------------------------*/
+
+template<class MixtureType>
+class hPsiThermo
+:
+    public basicPsiThermo,
+    public MixtureType
+{
+    // Private data
+
+        //- Enthalpy field
+        volScalarField h_;
+
+
+    // Private member functions
+
+        //- Calculate the thermo variables
+        void calculate();
+
+        //- Construct as copy (not implemented)
+        hPsiThermo(const hPsiThermo<MixtureType>&);
+
+
+public:
+
+    //- Runtime type information
+    TypeName("hPsiThermo");
+
+
+    // Constructors
+
+        //- Construct from mesh
+        hPsiThermo(const fvMesh&);
+
+
+    //- Destructor
+    virtual ~hPsiThermo();
+
+
+    // Member functions
+
+        //- Return the compostion of the combustion mixture
+        virtual basicMixture& composition()
+        {
+            return *this;
+        }
+
+        //- Return the compostion of the combustion mixture
+        virtual const basicMixture& composition() const
+        {
+            return *this;
+        }
+
+        //- Update properties
+        virtual void correct();
+
+
+        // Access to thermodynamic state variables
+
+            //- Enthalpy [J/kg]
+            //  Non-const access allowed for transport equations
+            virtual volScalarField& h()
+            {
+                return h_;
+            }
+
+            //- Enthalpy [J/kg]
+            virtual const volScalarField& h() const
+            {
+                return h_;
+            }
+
+
+        // Fields derived from thermodynamic state variables
+
+            //- Enthalpy for cell-set [J/kg]
+            virtual tmp<scalarField> h
+            (
+                const scalarField& T,
+                const labelList& cells
+            ) const;
+
+            //- Enthalpy for patch [J/kg]
+            virtual tmp<scalarField> h
+            (
+                const scalarField& T,
+                const label patchi
+            ) const;
+
+            //- Heat capacity at constant pressure for patch [J/kg/K]
+            virtual tmp<scalarField> Cp
+            (
+                const scalarField& T,
+                const label patchi
+            ) const;
+
+            //- Heat capacity at constant pressure [J/kg/K]
+            virtual tmp<volScalarField> Cp() const;
+
+            //- Heat capacity at constant volume for patch [J/kg/K]
+            virtual tmp<scalarField> Cv
+            (
+                const scalarField& T,
+                const label patchi
+            ) const;
+
+            //- Heat capacity at constant volume [J/kg/K]
+            virtual tmp<volScalarField> Cv() const;
+
+
+        //- Read thermophysicalProperties dictionary
+        virtual bool read();
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * *
+
+#ifdef NoRepository
+#   include "hPsiThermo.C"
+#endif
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //

src/thermophysicalModels/basic/psiThermo/hPsiThermo/hPsiThermos.C

@@ -22,15 +22,9 @@ License
     along with OpenFOAM; if not, write to the Free Software Foundation,
     Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
 
-Description
-    Selection function for internal energy based thermodynamics package.
-
 \*---------------------------------------------------------------------------*/
 
-#include "error.H"
-
-#include "basicThermo.H"
-#include "makeBasicThermo.H"
+#include "makeBasicPsiThermo.H"
 
 #include "perfectGas.H"
 
@@ -41,11 +35,9 @@ Description
 #include "constTransport.H"
 #include "sutherlandTransport.H"
 
-#include "hThermo.H"
+#include "hPsiThermo.H"
 #include "pureMixture.H"
 
-#include "addToRunTimeSelectionTable.H"
-
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
 namespace Foam
@@ -53,27 +45,27 @@ namespace Foam
 
 /* * * * * * * * * * * * * * * private static data * * * * * * * * * * * * * */
 
-makeBasicThermo
+makeBasicPsiThermo
 (
-    hThermo,
+    hPsiThermo,
     pureMixture,
     constTransport,
     hConstThermo,
     perfectGas
 );
 
-makeBasicThermo
+makeBasicPsiThermo
 (
-    hThermo,
+    hPsiThermo,
     pureMixture,
     sutherlandTransport,
     hConstThermo,
     perfectGas
 );
 
-makeBasicThermo
+makeBasicPsiThermo
 (
-    hThermo,
+    hPsiThermo,
     pureMixture,
     sutherlandTransport,
     janafThermo,

src/thermophysicalModels/basic/rhoThermo/.directory

@@ -0,0 +1,5 @@
+[Dolphin]
+AdditionalInfo=3
+SortOrder=0
+Timestamp=2009,6,10,15,58,20
+ViewMode=1

src/thermophysicalModels/basic/rhoThermo/basicRhoThermo/basicRhoThermo.C

@@ -0,0 +1,79 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+     \\/     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 2 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, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+\*---------------------------------------------------------------------------*/
+
+#include "basicRhoThermo.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+    defineTypeNameAndDebug(basicRhoThermo, 0);
+    defineRunTimeSelectionTable(basicRhoThermo, fvMesh);
+}
+
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+Foam::basicRhoThermo::basicRhoThermo(const fvMesh& mesh)
+:
+    basicThermo(mesh),
+    rho_
+    (
+        IOobject
+        (
+            "rhoThermo",
+            mesh.time().timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::NO_WRITE
+        ),
+        mesh,
+        dimDensity
+    )
+{}
+
+
+// * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
+
+Foam::basicRhoThermo::~basicRhoThermo()
+{}
+
+
+// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
+
+Foam::tmp<Foam::volScalarField> Foam::basicRhoThermo::rho() const
+{
+    return rho_;
+}
+
+
+Foam::volScalarField& Foam::basicRhoThermo::rho()
+{
+    return rho_;
+}
+
+
+// ************************************************************************* //

src/thermophysicalModels/basic/rhoThermo/basicRhoThermo/basicRhoThermo.H

@@ -0,0 +1,123 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+     \\/     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 2 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, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+Class
+    Foam::basicRhoThermo
+
+Description
+    Basic thermodynamic properties based on density
+
+SourceFiles
+    basicRhoThermo.C
+    newBasicRhoThermo.C
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef basicRhoThermo_H
+#define basicRhoThermo_H
+
+#include "basicThermo.H"
+#include "runTimeSelectionTables.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+/*---------------------------------------------------------------------------*\
+                       Class basicRhoThermo Declaration
+\*---------------------------------------------------------------------------*/
+
+class basicRhoThermo
+:
+    public basicThermo
+{
+
+protected:
+
+    // Protected data
+
+        //- Density field [kg/m^3]
+        //  Named 'rhoThermo' to avoid (potential) conflict with solver density
+        volScalarField rho_;
+
+
+    // Protected member functions
+
+        //- Construct as copy (not implemented)
+        basicRhoThermo(const basicRhoThermo&);
+
+
+public:
+
+    //- Runtime type information
+    TypeName("basicRhoThermo");
+
+
+    //- Declare run-time constructor selection table
+    declareRunTimeSelectionTable
+    (
+        autoPtr,
+        basicRhoThermo,
+        fvMesh,
+        (const fvMesh& mesh),
+        (mesh)
+    );
+
+
+    // Constructors
+
+        //- Construct from mesh
+        basicRhoThermo(const fvMesh&);
+
+
+    //- Selector
+    static autoPtr<basicRhoThermo> New(const fvMesh&);
+
+
+    //- Destructor
+    virtual ~basicRhoThermo();
+
+
+    // Member functions
+
+        // Fields derived from thermodynamic state variables
+
+            //- Density [kg/m^3]
+            virtual tmp<volScalarField> rho() const;
+
+            //- Return non-const access to the local density field [kg/m^3]
+            virtual volScalarField& rho();
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //

src/thermophysicalModels/basic/rhoThermo/basicRhoThermo/makeBasicRhoThermo.H

@@ -23,36 +23,42 @@ License
     Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
 
 InClass
-    Foam::basicThermo
+    Foam::basicRhoThermo
 
 Description
+    Macros for creating 'basic' density-based thermo packages
 
 \*---------------------------------------------------------------------------*/
 
-#ifndef makeBasicThermo_H
-#define makeBasicThermo_H
+#ifndef makeBasicRhoThermo_H
+#define makeBasicRhoThermo_H
 
-#include "basicThermo.H"
+#include "basicRhoThermo.H"
+#include "addToRunTimeSelectionTable.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-#define makeBasicThermo(Cthermo,Mixture,Transport,Thermo,EqnOfState)          \
+#define makeBasicRhoThermo(Cthermo,Mixture,Transport,Thermo,EqnOfState)       \
                                                                               \
 typedef Cthermo<Mixture<Transport<specieThermo<Thermo<EqnOfState> > > > >     \
     Cthermo##Mixture##Transport##Thermo##EqnOfState;                          \
                                                                               \
 defineTemplateTypeNameAndDebugWithName                                        \
-    (Cthermo##Mixture##Transport##Thermo##EqnOfState,                         \
+(                                                                             \
+    Cthermo##Mixture##Transport##Thermo##EqnOfState,                          \
     #Cthermo                                                                  \
-    "<"#Mixture"<"#Transport"<specieThermo<"#Thermo"<"#EqnOfState">>>>>", 0); \
+        "<"#Mixture"<"#Transport"<specieThermo<"#Thermo"<"#EqnOfState">>>>>", \
+    0                                                                         \
+);                                                                            \
                                                                               \
 addToRunTimeSelectionTable                                                    \
 (                                                                             \
-    basicThermo,                                                              \
+    basicRhoThermo,                                                           \
     Cthermo##Mixture##Transport##Thermo##EqnOfState,                          \
     fvMesh                                                                    \
 )
 
+
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
 #endif

src/thermophysicalModels/basic/rhoThermo/basicRhoThermo/newBasicRhoThermo.C

@@ -23,23 +23,20 @@ License
     Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
 
 Description
-    Selection function for internal energy based thermodynamics package.
+    Selection function for 'basic' density-based thermodynamics
 
 \*---------------------------------------------------------------------------*/
 
-#include "basicThermo.H"
-#include "fvMesh.H"
+#include "basicRhoThermo.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-namespace Foam
+Foam::autoPtr<Foam::basicRhoThermo> Foam::basicRhoThermo::New
+(
+    const fvMesh& mesh
+)
 {
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-autoPtr<basicThermo> basicThermo::New(const fvMesh& mesh)
-{
-    word basicThermoTypeName;
+    word thermoTypeName;
 
     // Enclose the creation of the thermophysicalProperties to ensure it is
     // deleted before the turbulenceModel is created otherwise the dictionary
@@ -57,30 +54,25 @@ autoPtr<basicThermo> basicThermo::New(const fvMesh& mesh)
             )
         );
 
-        thermoDict.lookup("thermoType") >> basicThermoTypeName;
+        thermoDict.lookup("thermoType") >> thermoTypeName;
     }
 
-    Info<< "Selecting thermodynamics package " << basicThermoTypeName << endl;
+    Info<< "Selecting thermodynamics package " << thermoTypeName << endl;
 
     fvMeshConstructorTable::iterator cstrIter =
-        fvMeshConstructorTablePtr_->find(basicThermoTypeName);
+        fvMeshConstructorTablePtr_->find(thermoTypeName);
 
     if (cstrIter == fvMeshConstructorTablePtr_->end())
     {
-        FatalErrorIn("basicThermo::New(const fvMesh&)")
-            << "Unknown basicThermo type " << basicThermoTypeName
-            << endl << endl
-            << "Valid basicThermo types are :" << endl
-            << fvMeshConstructorTablePtr_->toc()
+        FatalErrorIn("basicRhoThermo::New(const fvMesh&)")
+            << "Unknown basicRhoThermo type " << thermoTypeName << nl << nl
+            << "Valid basicRhoThermo types are:" << nl
+            << fvMeshConstructorTablePtr_->toc() << nl
             << exit(FatalError);
     }
 
-    return autoPtr<basicThermo>(cstrIter()(mesh));
+    return autoPtr<basicRhoThermo>(cstrIter()(mesh));
 }
 
 
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-} // End namespace Foam
-
 // ************************************************************************* //

src/thermophysicalModels/basic/rhoThermo/hRhoThermo/hRhoThermo.C

@@ -0,0 +1,346 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+     \\/     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 2 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, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+\*---------------------------------------------------------------------------*/
+
+#include "hRhoThermo.H"
+
+// * * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * //
+
+template<class MixtureType>
+void Foam::hRhoThermo<MixtureType>::calculate()
+{
+    const scalarField& hCells = this->h_.internalField();
+    const scalarField& pCells = this->p_.internalField();
+
+    scalarField& TCells = this->T_.internalField();
+    scalarField& psiCells = this->psi_.internalField();
+    scalarField& rhoCells = this->rho_.internalField();
+    scalarField& muCells = this->mu_.internalField();
+    scalarField& alphaCells = this->alpha_.internalField();
+
+    forAll(TCells, celli)
+    {
+        const typename MixtureType::thermoType& mixture_ =
+            this->cellMixture(celli);
+
+        TCells[celli] = mixture_.TH(hCells[celli], TCells[celli]);
+        psiCells[celli] = mixture_.psi(pCells[celli], TCells[celli]);
+        rhoCells[celli] = mixture_.rho(pCells[celli], TCells[celli]);
+
+        muCells[celli] = mixture_.mu(TCells[celli]);
+        alphaCells[celli] = mixture_.alpha(TCells[celli]);
+    }
+
+    forAll(this->T_.boundaryField(), patchi)
+    {
+        fvPatchScalarField& pp = this->p_.boundaryField()[patchi];
+        fvPatchScalarField& pT = this->T_.boundaryField()[patchi];
+        fvPatchScalarField& ppsi = this->psi_.boundaryField()[patchi];
+        fvPatchScalarField& prho = this->rho_.boundaryField()[patchi];
+
+        fvPatchScalarField& ph = this->h_.boundaryField()[patchi];
+
+        fvPatchScalarField& pmu = this->mu_.boundaryField()[patchi];
+        fvPatchScalarField& palpha = this->alpha_.boundaryField()[patchi];
+
+        if (pT.fixesValue())
+        {
+            forAll(pT, facei)
+            {
+                const typename MixtureType::thermoType& mixture_ =
+                    this->patchFaceMixture(patchi, facei);
+
+                ph[facei] = mixture_.H(pT[facei]);
+
+                ppsi[facei] = mixture_.psi(pp[facei], pT[facei]);
+                prho[facei] = mixture_.rho(pp[facei], pT[facei]);
+                pmu[facei] = mixture_.mu(pT[facei]);
+                palpha[facei] = mixture_.alpha(pT[facei]);
+            }
+        }
+        else
+        {
+            forAll(pT, facei)
+            {
+                const typename MixtureType::thermoType& mixture_ =
+                    this->patchFaceMixture(patchi, facei);
+
+                pT[facei] = mixture_.TH(ph[facei], pT[facei]);
+
+                ppsi[facei] = mixture_.psi(pp[facei], pT[facei]);
+                prho[facei] = mixture_.rho(pp[facei], pT[facei]);
+                pmu[facei] = mixture_.mu(pT[facei]);
+                palpha[facei] = mixture_.alpha(pT[facei]);
+            }
+        }
+    }
+}
+
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+template<class MixtureType>
+Foam::hRhoThermo<MixtureType>::hRhoThermo(const fvMesh& mesh)
+:
+    basicRhoThermo(mesh),
+    MixtureType(*this, mesh),
+
+    h_
+    (
+        IOobject
+        (
+            "h",
+            mesh.time().timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::NO_WRITE
+        ),
+        mesh,
+        dimensionSet(0, 2, -2, 0, 0),
+        this->hBoundaryTypes()
+    )
+{
+    scalarField& hCells = h_.internalField();
+    const scalarField& TCells = this->T_.internalField();
+
+    forAll(hCells, celli)
+    {
+        hCells[celli] = this->cellMixture(celli).H(TCells[celli]);
+    }
+
+    forAll(h_.boundaryField(), patchi)
+    {
+        h_.boundaryField()[patchi] ==
+            h(this->T_.boundaryField()[patchi], patchi);
+    }
+
+    hBoundaryCorrection(h_);
+
+    calculate();
+}
+
+
+// * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
+
+template<class MixtureType>
+Foam::hRhoThermo<MixtureType>::~hRhoThermo()
+{}
+
+
+// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
+
+template<class MixtureType>
+void Foam::hRhoThermo<MixtureType>::correct()
+{
+    if (debug)
+    {
+        Info<< "entering hRhoThermo<MixtureType>::correct()" << endl;
+    }
+
+    calculate();
+
+    if (debug)
+    {
+        Info<< "exiting hRhoThermo<MixtureType>::correct()" << endl;
+    }
+}
+
+
+template<class MixtureType>
+Foam::tmp<Foam::scalarField> Foam::hRhoThermo<MixtureType>::h
+(
+    const scalarField& T,
+    const labelList& cells
+) const
+{
+    tmp<scalarField> th(new scalarField(T.size()));
+    scalarField& h = th();
+
+    forAll(T, celli)
+    {
+        h[celli] = this->cellMixture(cells[celli]).H(T[celli]);
+    }
+
+    return th;
+}
+
+
+template<class MixtureType>
+Foam::tmp<Foam::scalarField> Foam::hRhoThermo<MixtureType>::h
+(
+    const scalarField& T,
+    const label patchi
+) const
+{
+    tmp<scalarField> th(new scalarField(T.size()));
+    scalarField& h = th();
+
+    forAll(T, facei)
+    {
+        h[facei] = this->patchFaceMixture(patchi, facei).H(T[facei]);
+    }
+
+    return th;
+}
+
+
+template<class MixtureType>
+Foam::tmp<Foam::scalarField> Foam::hRhoThermo<MixtureType>::Cp
+(
+    const scalarField& T,
+    const label patchi
+) const
+{
+    tmp<scalarField> tCp(new scalarField(T.size()));
+    scalarField& cp = tCp();
+
+    forAll(T, facei)
+    {
+        cp[facei] = this->patchFaceMixture(patchi, facei).Cp(T[facei]);
+    }
+
+    return tCp;
+}
+
+
+template<class MixtureType>
+Foam::tmp<Foam::volScalarField> Foam::hRhoThermo<MixtureType>::Cp() const
+{
+    const fvMesh& mesh = this->T_.mesh();
+
+    tmp<volScalarField> tCp
+    (
+        new volScalarField
+        (
+            IOobject
+            (
+                "Cp",
+                mesh.time().timeName(),
+                mesh,
+                IOobject::NO_READ,
+                IOobject::NO_WRITE
+            ),
+            mesh,
+            dimensionSet(0, 2, -2, -1, 0),
+            this->T_.boundaryField().types()
+        )
+    );
+
+    volScalarField& cp = tCp();
+
+    forAll(this->T_, celli)
+    {
+        cp[celli] = this->cellMixture(celli).Cp(this->T_[celli]);
+    }
+
+    forAll(this->T_.boundaryField(), patchi)
+    {
+        const fvPatchScalarField& pT = this->T_.boundaryField()[patchi];
+        fvPatchScalarField& pCp = cp.boundaryField()[patchi];
+
+        forAll(pT, facei)
+        {
+            pCp[facei] = this->patchFaceMixture(patchi, facei).Cp(pT[facei]);
+        }
+    }
+
+    return tCp;
+}
+
+
+template<class MixtureType>
+Foam::tmp<Foam::scalarField> Foam::hRhoThermo<MixtureType>::Cv
+(
+    const scalarField& T,
+    const label patchi
+) const
+{
+    tmp<scalarField> tCv(new scalarField(T.size()));
+    scalarField& cv = tCv();
+
+    forAll(T, facei)
+    {
+        cv[facei] = this->patchFaceMixture(patchi, facei).Cv(T[facei]);
+    }
+
+    return tCv;
+}
+
+
+template<class MixtureType>
+Foam::tmp<Foam::volScalarField> Foam::hRhoThermo<MixtureType>::Cv() const
+{
+    const fvMesh& mesh = this->T_.mesh();
+
+    tmp<volScalarField> tCv
+    (
+        new volScalarField
+        (
+            IOobject
+            (
+                "Cv",
+                mesh.time().timeName(),
+                mesh,
+                IOobject::NO_READ,
+                IOobject::NO_WRITE
+            ),
+            mesh,
+            dimensionSet(0, 2, -2, -1, 0)
+        )
+    );
+
+    volScalarField& cv = tCv();
+
+    forAll(this->T_, celli)
+    {
+        cv[celli] = this->cellMixture(celli).Cv(this->T_[celli]);
+    }
+
+    forAll(this->T_.boundaryField(), patchi)
+    {
+        cv.boundaryField()[patchi] =
+            Cv(this->T_.boundaryField()[patchi], patchi);
+    }
+
+    return tCv;
+}
+
+
+template<class MixtureType>
+bool Foam::hRhoThermo<MixtureType>::read()
+{
+    if (basicRhoThermo::read())
+    {
+        MixtureType::read(*this);
+        return true;
+    }
+    else
+    {
+        return false;
+    }
+}
+
+
+// ************************************************************************* //

src/thermophysicalModels/basic/rhoThermo/hRhoThermo/hRhoThermo.H

@@ -23,20 +23,20 @@ License
     Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
 
 Class
-    Foam::hThermo
+    Foam::hPsiThermo
 
 Description
-    Enthalpy for a mixture
+    Enthalpy for a mixture based on density
 
 SourceFiles
-    hThermo.C
+    hRhoThermo.C
 
 \*---------------------------------------------------------------------------*/
 
-#ifndef hThermo_H
-#define hThermo_H
+#ifndef hRhoThermo_H
+#define hRhoThermo_H
 
-#include "basicThermo.H"
+#include "basicRhoThermo.H"
 #include "basicMixture.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@@ -45,42 +45,44 @@ namespace Foam
 {
 
 /*---------------------------------------------------------------------------*\
-                           Class hThermo Declaration
+                         Class hRhoThermo Declaration
 \*---------------------------------------------------------------------------*/
 
 template<class MixtureType>
-class hThermo
+class hRhoThermo
 :
-    public basicThermo,
+    public basicRhoThermo,
     public MixtureType
 {
     // Private data
 
+        //- Enthalpy field
         volScalarField h_;
 
 
     // Private member functions
 
+        //- Calculate the thermo variables
         void calculate();
 
         //- Construct as copy (not implemented)
-        hThermo(const hThermo<MixtureType>&);
+        hRhoThermo(const hRhoThermo<MixtureType>&);
 
 
 public:
 
     //- Runtime type information
-    TypeName("hThermo");
+    TypeName("hRhoThermo");
 
 
     // Constructors
 
         //- Construct from mesh
-        hThermo(const fvMesh&);
+        hRhoThermo(const fvMesh&);
 
 
     //- Destructor
-    virtual ~hThermo();
+    virtual ~hRhoThermo();
 
 
     // Member functions
@@ -166,7 +168,7 @@ public:
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * *
 
 #ifdef NoRepository
-#   include "hThermo.C"
+#   include "hRhoThermo.C"
 #endif
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

src/thermophysicalModels/basic/rhoThermo/hRhoThermo/hRhoThermos.C

@@ -22,15 +22,9 @@ License
     along with OpenFOAM; if not, write to the Free Software Foundation,
     Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
 
-Description
-    Selection function for internal energy based thermodynamics package.
-
 \*---------------------------------------------------------------------------*/
 
-#include "error.H"
-
-#include "basicThermo.H"
-#include "makeBasicThermo.H"
+#include "makeBasicRhoThermo.H"
 
 #include "perfectGas.H"
 
@@ -41,11 +35,9 @@ Description
 #include "constTransport.H"
 #include "sutherlandTransport.H"
 
-#include "eThermo.H"
+#include "hRhoThermo.H"
 #include "pureMixture.H"
 
-#include "addToRunTimeSelectionTable.H"
-
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
 namespace Foam
@@ -53,34 +45,34 @@ namespace Foam
 
 /* * * * * * * * * * * * * * * private static data * * * * * * * * * * * * * */
 
-
-makeBasicThermo
+makeBasicRhoThermo
 (
-    eThermo,
+    hRhoThermo,
     pureMixture,
     constTransport,
     hConstThermo,
     perfectGas
 );
 
-makeBasicThermo
+makeBasicRhoThermo
 (
-    eThermo,
+    hRhoThermo,
     pureMixture,
     sutherlandTransport,
     hConstThermo,
     perfectGas
 );
 
-makeBasicThermo
+makeBasicRhoThermo
 (
-    eThermo,
+    hRhoThermo,
     pureMixture,
     sutherlandTransport,
     janafThermo,
     perfectGas
 );
 
+
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
 } // End namespace Foam

src/thermophysicalModels/chemistryModel/Make/files

@@ -1,12 +1,13 @@
-chemistryModel = chemistryModel
-chemistrySolver = chemistrySolver
+chemistryModel/basicChemistryModel/basicChemistryModel.C
 
-$(chemistryModel)/chemistryModel.C
+chemistryModel/psiChemistryModel/psiChemistryModel.C
+chemistryModel/psiChemistryModel/newPsiChemistryModel.C
+chemistryModel/psiChemistryModel/psiChemistryModels.C
 
-$(chemistrySolver)/chemistrySolver/chemistrySolver.C
-$(chemistrySolver)/chemistrySolver/newChemistrySolver.C
-$(chemistrySolver)/sequential/sequential.C
-$(chemistrySolver)/EulerImplicit/EulerImplicit.C
-$(chemistrySolver)/ode/ode.C
+chemistryModel/rhoChemistryModel/rhoChemistryModel.C
+chemistryModel/rhoChemistryModel/newRhoChemistryModel.C
+chemistryModel/rhoChemistryModel/rhoChemistryModels.C
+
+chemistrySolver/chemistrySolver/makeChemistrySolvers.C
 
 LIB = $(FOAM_LIBBIN)/libchemistryModel

src/thermophysicalModels/chemistryModel/Make/options

@@ -1,15 +1,16 @@
 EXE_INC = \
     -I$(LIB_SRC)/finiteVolume/lnInclude \
-    -I$(LIB_SRC)/thermophysicalModels/thermophysicalFunctions/lnInclude \
-    -I$(LIB_SRC)/thermophysicalModels/combustion/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/reactionThermo/lnInclude \
     -I$(LIB_SRC)/thermophysicalModels/basic/lnInclude \
-	-I$(LIB_SRC)/thermophysicalModels/specie/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/specie/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/functions/Polynomial \
+    -I$(LIB_SRC)/thermophysicalModels/thermophysicalFunctions/lnInclude \
     -I$(LIB_SRC)/turbulenceModels/compressible/lnInclude \
     -I$(LIB_SRC)/ODE/lnInclude
 
 LIB_LIBS = \
-	-lbasicThermophysicalModels \
-    -lcombustionThermophysicalModels \
+    -lbasicThermophysicalModels \
+    -lreactionThermophysicalModels \
+    -lspecie \
     -lthermophysicalFunctions \
-	-lspecie \
-	-lODE
+    -lODE

src/thermophysicalModels/chemistryModel/chemistryModel/ODEChemistryModel/ODEChemistryModel.C

@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2009-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
@@ -24,96 +24,91 @@ License
 
 \*---------------------------------------------------------------------------*/
 
-#include "chemistryModel.H"
+#include "ODEChemistryModel.H"
 #include "chemistrySolver.H"
-#include "multiComponentMixture.H"
+#include "reactingMixture.H"
 
 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
 
-// Construct from components
-Foam::chemistryModel::chemistryModel
+template<class CompType, class ThermoType>
+Foam::ODEChemistryModel<CompType, ThermoType>::ODEChemistryModel
 (
-    hCombustionThermo& thermo,
-    const volScalarField& rho
+    const fvMesh& mesh,
+    const word& compTypeName,
+    const word& thermoTypeName
 )
 :
-    thermo_(thermo),
+    CompType(mesh, thermoTypeName),
 
-    Y_(thermo.composition().Y()),
-    rho_(rho),
+    ODE(),
 
-    chemistryProperties_
+    Y_(this->thermo().composition().Y()),
+
+    reactions_
     (
-        IOobject
-        (
-            "chemistryProperties",
-            rho_.time().constant(),
-            rho_.db(),
-            IOobject::MUST_READ,
-            IOobject::NO_WRITE
-        )
+        dynamic_cast<const reactingMixture<ThermoType>&>(this->thermo())
+    ),
+    specieThermo_
+    (
+        dynamic_cast<const reactingMixture<ThermoType>&>
+            (this->thermo()).speciesData()
     ),
-    chemistry_(chemistryProperties_.lookup("chemistry")),
 
-    reactions_(dynamic_cast<const reactingMixture&>(thermo)),
-    specieThermo_(dynamic_cast<const reactingMixture&>(thermo).speciesData()),
-
-    Ns_(thermo.composition().Y().size()),
-    Nr_(reactions_.size()),
+    nSpecie_(Y_.size()),
+    nReaction_(reactions_.size()),
 
     solver_
     (
-        chemistrySolver::New
+        chemistrySolver<CompType, ThermoType>::New
         (
-            chemistryProperties_,
-            *this
+            *this,
+            compTypeName,
+            thermoTypeName
         )
     ),
-    deltaTChem_
-    (
-        rho_.size(),
-        readScalar(chemistryProperties_.lookup("initialChemicalTimeStep"))
-    )
+
+    RR_(nSpecie_)
 {
-    // set the size of the chemistry sources
-    RR_.setSize(Ns());
-    for(label i=0; i<Ns(); i++)
+    // create the fields for the chemistry sources
+    forAll(RR_, fieldI)
     {
         RR_.set
         (
-            i,
-            new scalarField(rho_.size(), 0.0)
+            fieldI,
+            new scalarField(mesh.nCells(), 0.0)
         );
     }
 
-    Info<< "chemistryModel::chemistryModel: Number of species = " << Ns()
-        << " and reactions = " << Nr() << endl;
+    Info<< "ODEChemistryModel: Number of species = " << nSpecie_
+        << " and reactions = " << nReaction_ << endl;
 }
 
 
 // * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
 
-Foam::chemistryModel::~chemistryModel()
+template<class CompType, class ThermoType>
+Foam::ODEChemistryModel<CompType, ThermoType>::~ODEChemistryModel()
 {}
 
 
 // * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
 
-Foam::scalarField Foam::chemistryModel::omega
+template<class CompType, class ThermoType>
+Foam::scalarField Foam::ODEChemistryModel<CompType, ThermoType>::omega
 (
     const scalarField& c,
     const scalar T,
     const scalar p
 ) const
 {
-    scalar pf,cf,pr,cr;
+    scalar pf, cf, pr, cr;
     label lRef, rRef;
 
     scalarField om(nEqns(), 0.0);
 
     forAll(reactions_, i)
     {
-        const reaction& R = reactions_[i];
+        const Reaction<ThermoType>& R = reactions_[i];
 
         scalar omegai = omega
         (
@@ -136,12 +131,13 @@ Foam::scalarField Foam::chemistryModel::omega
     }
 
     return om;
-} // end omega
+}
 
 
-Foam::scalar Foam::chemistryModel::omega
+template<class CompType, class ThermoType>
+Foam::scalar Foam::ODEChemistryModel<CompType, ThermoType>::omega
 (
-    const reaction& R,
+    const Reaction<ThermoType>& R,
     const scalarField& c,
     const scalar T,
     const scalar p,
@@ -153,8 +149,8 @@ Foam::scalar Foam::chemistryModel::omega
     label& rRef
 ) const
 {
-    scalarField c2(Ns(), 0.0);
-    for(label i=0; i<Ns(); i++)
+    scalarField c2(nSpecie_, 0.0);
+    for (label i=0; i<nSpecie_; i++)
     {
         c2[i] = max(0.0, c[i]);
     }
@@ -172,7 +168,7 @@ Foam::scalar Foam::chemistryModel::omega
     lRef = R.lhs()[slRef].index;
 
     pf = kf;
-    for(label s=1; s<Nl; s++)
+    for (label s=1; s<Nl; s++)
     {
         label si = R.lhs()[s].index;
 
@@ -197,7 +193,7 @@ Foam::scalar Foam::chemistryModel::omega
         {
             if (cf > SMALL)
             {
-                pf *= pow(cf, exp-1.0);
+                pf *= pow(cf, exp - 1.0);
             }
             else
             {
@@ -206,7 +202,7 @@ Foam::scalar Foam::chemistryModel::omega
         }
         else
         {
-            pf *= pow(cf, exp-1.0);
+            pf *= pow(cf, exp - 1.0);
         }
     }
 
@@ -215,7 +211,7 @@ Foam::scalar Foam::chemistryModel::omega
 
     // find the matrix element and element position for the rhs
     pr = kr;
-    for(label s=1; s<Nr; s++)
+    for (label s=1; s<Nr; s++)
     {
         label si = R.rhs()[s].index;
         if (c[si] < c[rRef])
@@ -239,7 +235,7 @@ Foam::scalar Foam::chemistryModel::omega
         {
             if (cr>SMALL)
             {
-                pr *= pow(cr, exp-1.0);
+                pr *= pow(cr, exp - 1.0);
             }
             else
             {
@@ -248,25 +244,26 @@ Foam::scalar Foam::chemistryModel::omega
         }
         else
         {
-            pr *= pow(cr, exp-1.0);
+            pr *= pow(cr, exp - 1.0);
         }
 
     }
 
     return pf*cf - pr*cr;
 
-} // end omega
+}
 
 
-void Foam::chemistryModel::derivatives
+template<class CompType, class ThermoType>
+void Foam::ODEChemistryModel<CompType, ThermoType>::derivatives
 (
     const scalar time,
     const scalarField &c,
     scalarField& dcdt
 ) const
 {
-    scalar T = c[Ns_];
-    scalar p = c[Ns_ + 1];
+    scalar T = c[nSpecie_];
+    scalar p = c[nSpecie_ + 1];
 
     dcdt = omega(c, T, p);
 
@@ -274,7 +271,7 @@ void Foam::chemistryModel::derivatives
     // dT/dt = ...
     scalar rho = 0.0;
     scalar cSum = 0.0;
-    for(label i=0; i<Ns(); i++)
+    for (label i=0; i<nSpecie_; i++)
     {
         scalar W = specieThermo_[i].W();
         cSum += c[i];
@@ -282,7 +279,7 @@ void Foam::chemistryModel::derivatives
     }
     scalar mw = rho/cSum;
     scalar cp = 0.0;
-    for(label i=0; i<Ns(); i++)
+    for (label i=0; i<nSpecie_; i++)
     {
         scalar cpi = specieThermo_[i].cp(T);
         scalar Xi = c[i]/rho;
@@ -291,7 +288,7 @@ void Foam::chemistryModel::derivatives
     cp /= mw;
 
     scalar dT = 0.0;
-    for(label i=0; i<Ns(); i++)
+    for (label i=0; i<nSpecie_; i++)
     {
         scalar hi = specieThermo_[i].h(T);
         dT += hi*dcdt[i];
@@ -301,14 +298,15 @@ void Foam::chemistryModel::derivatives
     // limit the time-derivative, this is more stable for the ODE
     // solver when calculating the allowed time step
     scalar dtMag = min(500.0, mag(dT));
-    dcdt[Ns_] = -dT*dtMag/(mag(dT) + 1.0e-10);
+    dcdt[nSpecie_] = -dT*dtMag/(mag(dT) + 1.0e-10);
 
     // dp/dt = ...
-    dcdt[Ns_+1] = 0.0;
+    dcdt[nSpecie_+1] = 0.0;
 }
 
 
-void Foam::chemistryModel::jacobian
+template<class CompType, class ThermoType>
+void Foam::ODEChemistryModel<CompType, ThermoType>::jacobian
 (
     const scalar t,
     const scalarField& c,
@@ -316,29 +314,29 @@ void Foam::chemistryModel::jacobian
     scalarSquareMatrix& dfdc
 ) const
 {
-    scalar T = c[Ns_];
-    scalar p = c[Ns_ + 1];
+    scalar T = c[nSpecie_];
+    scalar p = c[nSpecie_ + 1];
 
-    scalarField c2(Ns(), 0.0);
-    for(label i=0; i<Ns(); i++)
+    scalarField c2(nSpecie_, 0.0);
+    for (label i=0; i<nSpecie_; i++)
     {
         c2[i] = max(c[i], 0.0);
     }
 
-    for(label i=0; i<nEqns(); i++)
+    for (label i=0; i<nEqns(); i++)
     {
-        for(label j=0; j<nEqns(); j++)
+        for (label j=0; j<nEqns(); j++)
         {
             dfdc[i][j] = 0.0;
         }
     }
 
-    // length of the first argument must be Ns()
+    // length of the first argument must be nSpecie()
     dcdt = omega(c2, T, p);
 
     for (label ri=0; ri<reactions_.size(); ri++)
     {
-        const reaction& R = reactions_[ri];
+        const Reaction<ThermoType>& R = reactions_[ri];
 
         scalar kf0 = R.kf(T, p, c2);
         scalar kr0 = R.kr(T, p, c2);
@@ -357,7 +355,7 @@ void Foam::chemistryModel::jacobian
                     {
                         if (c2[si]>SMALL)
                         {
-                            kf *= el*pow(c2[si]+VSMALL, el-1.0);
+                            kf *= el*pow(c2[si] + VSMALL, el - 1.0);
                         }
                         else
                         {
@@ -366,7 +364,7 @@ void Foam::chemistryModel::jacobian
                     }
                     else
                     {
-                        kf *= el*pow(c2[si], el-1.0);
+                        kf *= el*pow(c2[si], el - 1.0);
                     }
                 }
                 else
@@ -403,7 +401,7 @@ void Foam::chemistryModel::jacobian
                     {
                         if (c2[si]>SMALL)
                         {
-                            kr *= er*pow(c2[si]+VSMALL, er-1.0);
+                            kr *= er*pow(c2[si] + VSMALL, er - 1.0);
                         }
                         else
                         {
@@ -412,7 +410,7 @@ void Foam::chemistryModel::jacobian
                     }
                     else
                     {
-                        kr *= er*pow(c2[si], er-1.0);
+                        kr *= er*pow(c2[si], er - 1.0);
                     }
                 }
                 else
@@ -438,40 +436,54 @@ void Foam::chemistryModel::jacobian
 
     // calculate the dcdT elements numerically
     scalar delta = 1.0e-8;
-    scalarField dcdT0 = omega(c2, T-delta, p);
-    scalarField dcdT1 = omega(c2, T+delta, p);
+    scalarField dcdT0 = omega(c2, T - delta, p);
+    scalarField dcdT1 = omega(c2, T + delta, p);
 
-    for(label i=0; i<nEqns(); i++)
+    for (label i=0; i<nEqns(); i++)
     {
-        dfdc[i][Ns()] = 0.5*(dcdT1[i]-dcdT0[i])/delta;
+        dfdc[i][nSpecie()] = 0.5*(dcdT1[i] - dcdT0[i])/delta;
     }
 
-} // end jacobian
+}
 
 
-Foam::tmp<Foam::volScalarField> Foam::chemistryModel::tc() const
+template<class CompType, class ThermoType>
+Foam::tmp<Foam::volScalarField>
+Foam::ODEChemistryModel<CompType, ThermoType>::tc() const
 {
-
     scalar pf,cf,pr,cr;
     label lRef, rRef;
 
-    label nCells = rho_.size();
-    label Nr = reactions_.size();
+    const volScalarField rho
+    (
+        IOobject
+        (
+            "rho",
+            this->time().timeName(),
+            this->mesh(),
+            IOobject::NO_READ,
+            IOobject::NO_WRITE,
+            false
+        ),
+        this->thermo().rho()
+    );
+
+    label nCells = rho.size();
+    label nReaction = reactions_.size();
 
     scalarField t(nCells, SMALL);
 
-    if (chemistry_)
+    if (this->chemistry_)
     {
-
-        for(label celli=0; celli<nCells; celli++)
+        forAll(rho, celli)
         {
-            scalar rhoi = rho_[celli];
-            scalar Ti = thermo_.T()[celli];
-            scalar pi = thermo_.p()[celli];
-            scalarField c(Ns_);
+            scalar rhoi = rho[celli];
+            scalar Ti = this->thermo().T()[celli];
+            scalar pi = this->thermo().p()[celli];
+            scalarField c(nSpecie_);
             scalar cSum = 0.0;
 
-            for(label i=0; i<Ns_; i++)
+            for (label i=0; i<nSpecie_; i++)
             {
                 scalar Yi = Y_[i][celli];
                 c[i] = rhoi*Yi/specieThermo_[i].W();
@@ -480,7 +492,7 @@ Foam::tmp<Foam::volScalarField> Foam::chemistryModel::tc() const
 
             forAll(reactions_, i)
             {
-                const reaction& R = reactions_[i];
+                const Reaction<ThermoType>& R = reactions_[i];
 
                 omega
                 (
@@ -493,7 +505,7 @@ Foam::tmp<Foam::volScalarField> Foam::chemistryModel::tc() const
                     t[celli] += sr*pf*cf;
                 }
             }
-            t[celli] = Nr*cSum/t[celli];
+            t[celli] = nReaction*cSum/t[celli];
         }
     }
 
@@ -504,13 +516,13 @@ Foam::tmp<Foam::volScalarField> Foam::chemistryModel::tc() const
             IOobject
             (
                 "tc",
-                rho_.time().timeName(),
-                rho_.db(),
+                this->mesh_.time().timeName(),
+                this->mesh_,
                 IOobject::NO_READ,
                 IOobject::NO_WRITE
             ),
-            rho_.mesh(),
-            dimensionedScalar("zero", dimensionSet(0, 0, 1, 0, 0), 0.0),
+            this->mesh_,
+            dimensionedScalar("zero", dimTime, 0.0),
             zeroGradientFvPatchScalarField::typeName
         )
     );
@@ -522,37 +534,103 @@ Foam::tmp<Foam::volScalarField> Foam::chemistryModel::tc() const
 }
 
 
-Foam::label Foam::chemistryModel::nEqns() const
+template<class CompType, class ThermoType>
+Foam::tmp<Foam::volScalarField>
+Foam::ODEChemistryModel<CompType, ThermoType>::dQ() const
 {
-    // nEqns = number of species + temperature + pressure
-    return Ns_ + 2;
+    tmp<volScalarField> tdQ
+    (
+        new volScalarField
+        (
+            IOobject
+            (
+                "dQ",
+                this->mesh_.time().timeName(),
+                this->mesh_,
+                IOobject::NO_READ,
+                IOobject::NO_WRITE
+            ),
+            this->mesh_,
+            dimensionedScalar
+            (
+                "zero",
+                dimensionSet(1, -3, -1 , 0, 0, 0, 0),
+                0.0
+            )
+        )
+    );
+
+    if (this->chemistry_)
+    {
+        scalarField& dQ = tdQ();
+
+        scalarField cp(dQ.size(), 0.0);
+
+        forAll(Y_, i)
+        {
+            forAll(dQ, cellI)
+            {
+                scalar Ti = this->thermo().T()[cellI];
+                cp[cellI] += Y_[i][cellI]*specieThermo_[i].Cp(Ti);
+                scalar hi = specieThermo_[i].h(Ti);
+                dQ[cellI] -= hi*RR_[i][cellI];
+            }
+        }
+
+        dQ /= cp;
+    }
+
+    return tdQ;
 }
 
 
-void Foam::chemistryModel::calculate()
+template<class CompType, class ThermoType>
+Foam::label Foam::ODEChemistryModel<CompType, ThermoType>::nEqns() const
 {
-    for(label i=0; i<Ns(); i++)
+    // nEqns = number of species + temperature + pressure
+    return nSpecie_ + 2;
+}
+
+
+template<class CompType, class ThermoType>
+void Foam::ODEChemistryModel<CompType, ThermoType>::calculate()
+{
+    const volScalarField rho
+    (
+        IOobject
+        (
+            "rho",
+            this->time().timeName(),
+            this->mesh(),
+            IOobject::NO_READ,
+            IOobject::NO_WRITE,
+            false
+        ),
+        this->thermo().rho()
+    );
+
+    for (label i=0; i<nSpecie_; i++)
     {
-        RR_[i].setSize(rho_.size());
+        RR_[i].setSize(rho.size());
     }
 
-    if (chemistry_)
+    if (this->chemistry_)
     {
-        for(label celli=0; celli<rho_.size(); celli++)
+        forAll(rho, celli)
         {
-            for(label i=0; i<Ns(); i++)
+            for (label i=0; i<nSpecie_; i++)
             {
                 RR_[i][celli] = 0.0;
             }
 
-            scalar rhoi = rho_[celli];
-            scalar Ti = thermo_.T()[celli];
-            scalar pi = thermo_.p()[celli];
+            scalar rhoi = rho[celli];
+            scalar Ti = this->thermo().T()[celli];
+            scalar pi = this->thermo().p()[celli];
 
-            scalarField c(Ns_);
+            scalarField c(nSpecie_);
             scalarField dcdt(nEqns(), 0.0);
 
-            for(label i=0; i<Ns_; i++)
+            for (label i=0; i<nSpecie_; i++)
             {
                 scalar Yi = Y_[i][celli];
                 c[i] = rhoi*Yi/specieThermo_[i].W();
@@ -560,7 +638,7 @@ void Foam::chemistryModel::calculate()
 
             dcdt = omega(c, Ti, pi);
 
-            for(label i=0; i<Ns_; i++)
+            for (label i=0; i<nSpecie_; i++)
             {
                 RR_[i][celli] = dcdt[i]*specieThermo_[i].W();
             }
@@ -569,44 +647,63 @@ void Foam::chemistryModel::calculate()
 }
 
 
-Foam::scalar Foam::chemistryModel::solve(const scalar t0, const scalar deltaT)
+template<class CompType, class ThermoType>
+Foam::scalar Foam::ODEChemistryModel<CompType, ThermoType>::solve
+(
+    const scalar t0,
+    const scalar deltaT
+)
 {
-    for(label i=0; i<Ns(); i++)
+    const volScalarField rho
+    (
+        IOobject
+        (
+            "rho",
+            this->time().timeName(),
+            this->mesh(),
+            IOobject::NO_READ,
+            IOobject::NO_WRITE,
+            false
+        ),
+        this->thermo().rho()
+    );
+
+    for (label i=0; i<nSpecie_; i++)
     {
-        RR_[i].setSize(rho_.size());
+        RR_[i].setSize(rho.size());
     }
 
-    if (!chemistry_)
+    if (!this->chemistry_)
     {
         return GREAT;
     }
 
     scalar deltaTMin = GREAT;
 
-    for(label celli=0; celli<rho_.size(); celli++)
+    forAll(rho, celli)
     {
-        for(label i=0; i<Ns(); i++)
+        for (label i=0; i<nSpecie(); i++)
         {
             RR_[i][celli] = 0.0;
         }
 
-        scalar rhoi = rho_[celli];
-        scalar Ti = thermo_.T()[celli];
-        scalar hi = thermo_.h()[celli];
-        scalar pi = thermo_.p()[celli];
+        scalar rhoi = rho[celli];
+        scalar Ti = this->thermo().T()[celli];
+        scalar hi = this->thermo().h()[celli];
+        scalar pi = this->thermo().p()[celli];
 
-        scalarField c(Ns_);
-        scalarField c0(Ns_);
-        scalarField dc(Ns_, 0.0);
+        scalarField c(nSpecie_);
+        scalarField c0(nSpecie_);
+        scalarField dc(nSpecie_, 0.0);
 
-        for(label i=0; i<Ns_; i++)
+        for (label i=0; i<nSpecie_; i++)
         {
             c[i] = rhoi*Y_[i][celli]/specieThermo_[i].W();
         }
         c0 = c;
 
         scalar t = t0;
-        scalar tauC = deltaTChem_[celli];
+        scalar tauC = this->deltaTChem_[celli];
         scalar dt = min(deltaT, tauC);
         scalar timeLeft = deltaT;
 
@@ -620,15 +717,15 @@ Foam::scalar Foam::chemistryModel::solve(const scalar t0, const scalar deltaT)
 
             // update the temperature
             cTot = sum(c);
-            reactionThermo mixture(0.0*specieThermo_[0]);
-            for(label i=0; i<Ns_; i++)
+            ThermoType mixture(0.0*specieThermo_[0]);
+            for (label i=0; i<nSpecie_; i++)
             {
                 mixture += (c[i]/cTot)*specieThermo_[i];
             }
             Ti = mixture.TH(hi, Ti);
 
             timeLeft -= dt;
-            deltaTChem_[celli] = tauC;
+            this->deltaTChem_[celli] = tauC;
             dt = min(timeLeft, tauC);
             dt = max(dt, SMALL);
         }
@@ -636,13 +733,13 @@ Foam::scalar Foam::chemistryModel::solve(const scalar t0, const scalar deltaT)
 
         dc = c - c0;
         scalar WTot = 0.0;
-        for(label i=0; i<Ns_; i++)
+        for (label i=0; i<nSpecie_; i++)
         {
             WTot += c[i]*specieThermo_[i].W();
         }
         WTot /= cTot;
 
-        for(label i=0; i<Ns_; i++)
+        for (label i=0; i<nSpecie_; i++)
         {
             RR_[i][celli] = dc[i]*specieThermo_[i].W()/deltaT;
         }

src/thermophysicalModels/chemistryModel/chemistryModel/ODEChemistryModel/ODEChemistryModel.H

@@ -0,0 +1,227 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 2009-2009 OpenCFD Ltd.
+     \\/     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 2 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, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+Class
+    Foam::ODEChemistryModel
+
+Description
+    Extends base chemistry model by adding a thermo package, and ODE functions.
+    Introduces chemistry equation system and evaluation of chemical source
+    terms.
+
+SourceFiles
+    ODEChemistryModelI.H
+    ODEChemistryModel.C
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef ODEChemistryModel_H
+#define ODEChemistryModel_H
+
+#include "hCombustionThermo.H"
+#include "Reaction.H"
+#include "ODE.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+// Forward declaration of classes
+template<class CompType, class ThermoType>
+class chemistrySolver;
+
+/*---------------------------------------------------------------------------*\
+                      Class ODEChemistryModel Declaration
+\*---------------------------------------------------------------------------*/
+
+template<class CompType, class ThermoType>
+class ODEChemistryModel
+:
+    public CompType,
+    public ODE
+{
+    // Private Member Functions
+
+        //- Disallow default bitwise assignment
+        void operator=(const ODEChemistryModel&);
+
+
+protected:
+
+    // Private data
+
+        //- Reference to the field of specie mass fractions
+        PtrList<volScalarField>& Y_;
+
+        //- Reactions
+        const PtrList<Reaction<ThermoType> >& reactions_;
+
+        //- Thermodynamic data of the species
+        const PtrList<ThermoType>& specieThermo_;
+
+        //- Number of species
+        label nSpecie_;
+
+        //- Number of reactions
+        label nReaction_;
+
+        //- Chemistry solver
+        autoPtr<chemistrySolver<CompType, ThermoType> > solver_;
+
+        //- Chemical source term
+        PtrList<scalarField> RR_;
+
+
+    // Protected Member Functions
+
+        //- Write access to chemical source terms
+        //  (e.g. for multi-chemistry model)
+        inline PtrList<scalarField>& RR();
+
+
+public:
+
+    //- Runtime type information
+    TypeName("ODEChemistryModel");
+
+
+    // Constructors
+
+        //- Construct from components
+        ODEChemistryModel
+        (
+            const fvMesh& mesh,
+            const word& compTypeName,
+            const word& thermoTypeName
+        );
+
+
+    //- Destructor
+    virtual ~ODEChemistryModel();
+
+
+    // Member Functions
+
+        //- The reactions
+        inline const PtrList<Reaction<ThermoType> >& reactions() const;
+
+        //- Thermodynamic data of the species
+        inline const PtrList<ThermoType>& specieThermo() const;
+
+        //- The number of species
+        inline label nSpecie() const;
+
+        //- The number of reactions
+        inline label nReaction() const;
+
+        //- Return the chemisty solver
+        inline const chemistrySolver<CompType, ThermoType>& solver() const;
+
+        //- dc/dt = omega, rate of change in concentration, for each species
+        virtual scalarField omega
+        (
+            const scalarField& c,
+            const scalar T,
+            const scalar p
+        ) const;
+
+        //- Return the reaction rate for reaction r and the reference
+        //  species and charateristic times
+        virtual scalar omega
+        (
+            const Reaction<ThermoType>& r,
+            const scalarField& c,
+            const scalar T,
+            const scalar p,
+            scalar& pf,
+            scalar& cf,
+            label& lRef,
+            scalar& pr,
+            scalar& cr,
+            label& rRef
+        ) const;
+
+        //- Calculates the reaction rates
+        virtual void calculate();
+
+
+        // Chemistry model functions (overriding abstract functions in
+        // chemistryModel.H)
+
+            //- Return const access to the chemical source terms
+            inline tmp<volScalarField> RR(const label i) const;
+
+            //- Solve the reaction system for the given start time and time
+            //  step and return the characteristic time
+            virtual scalar solve(const scalar t0, const scalar deltaT);
+
+            //- Return the chemical time scale
+            virtual tmp<volScalarField> tc() const;
+
+            //- Return the heat release
+            virtual tmp<volScalarField> dQ() const;
+
+
+        // ODE functions (overriding abstract functions in ODE.H)
+
+            //- Number of ODE's to solve
+            virtual label nEqns() const;
+
+            virtual void derivatives
+            (
+                const scalar t,
+                const scalarField& c,
+                scalarField& dcdt
+            ) const;
+
+            virtual void jacobian
+            (
+                const scalar t,
+                const scalarField& c,
+                scalarField& dcdt,
+                scalarSquareMatrix& dfdc
+            ) const;
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#include "ODEChemistryModelI.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#ifdef NoRepository
+#   include "ODEChemistryModel.C"
+#endif
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //

src/thermophysicalModels/chemistryModel/chemistryModel/ODEChemistryModel/ODEChemistryModelI.H

@@ -0,0 +1,113 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 2009-2009 OpenCFD Ltd.
+     \\/     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 2 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, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+\*---------------------------------------------------------------------------*/
+
+#include "zeroGradientFvPatchFields.H"
+
+// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
+
+template<class CompType, class ThermoType>
+inline Foam::PtrList<Foam::scalarField>&
+Foam::ODEChemistryModel<CompType, ThermoType>::RR()
+{
+    return RR_;
+}
+
+
+template<class CompType, class ThermoType>
+inline const Foam::PtrList<Foam::Reaction<ThermoType> >&
+Foam::ODEChemistryModel<CompType, ThermoType>::reactions() const
+{
+    return reactions_;
+}
+
+
+template<class CompType, class ThermoType>
+inline const Foam::PtrList<ThermoType>&
+Foam::ODEChemistryModel<CompType, ThermoType>::specieThermo() const
+{
+    return specieThermo_;
+}
+
+
+template<class CompType, class ThermoType>
+inline Foam::label
+Foam::ODEChemistryModel<CompType, ThermoType>::nSpecie() const
+{
+    return nSpecie_;
+}
+
+
+template<class CompType, class ThermoType>
+inline Foam::label
+Foam::ODEChemistryModel<CompType, ThermoType>::nReaction() const
+{
+    return nReaction_;
+}
+
+
+template<class CompType, class ThermoType>
+inline const Foam::chemistrySolver<CompType, ThermoType>&
+Foam::ODEChemistryModel<CompType, ThermoType>::solver() const
+{
+    return solver_;
+}
+
+
+template<class CompType, class ThermoType>
+inline Foam::tmp<Foam::volScalarField>
+Foam::ODEChemistryModel<CompType, ThermoType>::RR
+(
+    const label i
+) const
+{
+    tmp<volScalarField> tRR
+    (
+        new volScalarField
+        (
+            IOobject
+            (
+                "RR(" + this->Y_[i].name() + ')',
+                this->time().timeName(),
+                this->mesh(),
+                IOobject::NO_READ,
+                IOobject::NO_WRITE
+            ),
+            this->mesh(),
+            dimensionedScalar("zero", dimensionSet(1, -3, -1, 0, 0), 0.0),
+            zeroGradientFvPatchScalarField::typeName
+        )
+    );
+
+    if (this->chemistry_)
+    {
+        tRR().internalField() = RR_[i];
+        tRR().correctBoundaryConditions();
+    }
+    return tRR;
+}
+
+
+// ************************************************************************* //

src/thermophysicalModels/chemistryModel/chemistryModel/basicChemistryModel/basicChemistryModel.C

@@ -0,0 +1,69 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 2009-2009 OpenCFD Ltd.
+     \\/     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 2 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, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+\*---------------------------------------------------------------------------*/
+
+#include "basicChemistryModel.H"
+#include "fvMesh.H"
+#include "Time.H"
+
+/* * * * * * * * * * * * * * * private static data * * * * * * * * * * * * * */
+
+namespace Foam
+{
+    defineTypeNameAndDebug(basicChemistryModel, 0);
+}
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+Foam::basicChemistryModel::basicChemistryModel(const fvMesh& mesh)
+:
+    IOdictionary
+    (
+        IOobject
+        (
+            "chemistryProperties",
+            mesh.time().constant(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::NO_WRITE
+        )
+    ),
+    mesh_(mesh),
+    chemistry_(lookup("chemistry")),
+    deltaTChem_
+    (
+        mesh.nCells(),
+        readScalar(lookup("initialChemicalTimeStep"))
+    )
+{}
+
+
+// * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
+
+Foam::basicChemistryModel::~basicChemistryModel()
+{}
+
+
+// ************************************************************************* //

src/thermophysicalModels/chemistryModel/chemistryModel/basicChemistryModel/basicChemistryModel.H

@@ -0,0 +1,153 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 2009-2009 OpenCFD Ltd.
+     \\/     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 2 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, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+Class
+    Foam::basicChemistryModel
+
+Description
+    Base class for chemistry models
+
+SourceFiles
+    basicChemistryModelI.H
+    basicChemistryModel.C
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef basicChemistryModel_H
+#define basicChemistryModel_H
+
+#include "IOdictionary.H"
+#include "Switch.H"
+#include "scalarField.H"
+#include "volFieldsFwd.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+// Forward declaration of classes
+class fvMesh;
+
+/*---------------------------------------------------------------------------*\
+                   class basicChemistryModel Declaration
+\*---------------------------------------------------------------------------*/
+
+class basicChemistryModel
+:
+    public IOdictionary
+{
+    // Private Member Functions
+
+        //- Construct as copy (not implemented)
+        basicChemistryModel(const basicChemistryModel&);
+
+        //- Disallow default bitwise assignment
+        void operator=(const basicChemistryModel&);
+
+
+protected:
+
+    // Protected data
+
+        //- Reference to the mesh database
+        const fvMesh& mesh_;
+
+        //- Chemistry activation switch
+        Switch chemistry_;
+
+        //- Latest estimation of integration step
+        scalarField deltaTChem_;
+
+
+    // Protected member functions
+
+        //- Return non-const access to the latest estimation of integration
+        //  step, e.g. for multi-chemistry model
+        scalarField& deltaTChem();
+
+
+public:
+
+    //- Runtime type information
+    TypeName("basicChemistryModel");
+
+
+    // Constructors
+
+        //- Construct from mesh
+        basicChemistryModel(const fvMesh& mesh);
+
+
+    //- Destructor
+    virtual ~basicChemistryModel();
+
+
+    // Member Functions
+
+        //- Return const access to the mesh database
+        inline const fvMesh& mesh() const;
+
+        //- Chemistry activation switch
+        inline Switch chemistry() const;
+
+        //- Return the latest estimation of integration step
+        inline const scalarField& deltaTChem() const;
+
+
+        // Functions to be derived in derived classes
+
+            // Fields
+
+                //- Return const access to chemical source terms
+                virtual tmp<volScalarField> RR(const label i) const = 0;
+
+
+            // Chemistry solution
+
+                //- Solve the reaction system for the given start time and
+                //  timestep and return the characteristic time
+                virtual scalar solve(const scalar t0, const scalar deltaT) = 0;
+
+                //- Return the chemical time scale
+                virtual tmp<volScalarField> tc() const = 0;
+
+                //- Return the heat release
+                virtual tmp<volScalarField> dQ() const = 0;
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#include "basicChemistryModelI.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //