Merged Christian's update

applications/solvers/compressible/realFluidPisoFoam/createFields.H

@@ -11,8 +11,6 @@
     const volScalarField& psi = thermo.psi();
     const volScalarField& drhodh = thermo.drhodh();
 
-    bool realFluid=mesh.solutionDict().subDict("PISO").lookupOrDefault<bool>("realFluid",false);
-
     volScalarField rho
     (
         IOobject
@@ -42,7 +40,6 @@
 
 #   include "compressibleCreatePhi.H"
 
-
     Info<< "Creating turbulence model\n" << endl;
     autoPtr<compressible::turbulenceModel> turbulence
     (
@@ -55,7 +52,6 @@
         )
     );
 
-
     Info<< "Creating field DpDt\n" << endl;
     volScalarField DpDt =
         fvc::DDt(surfaceScalarField("phiU", phi/fvc::interpolate(rho)), p);

applications/solvers/compressible/realFluidPisoFoam/pEqn.H

@@ -3,89 +3,28 @@ rho = thermo.rho();
 volScalarField rUA = 1.0/UEqn.A();
 U = rUA*UEqn.H();
 
-if (realFluid)
+phi =
+    fvc::interpolate(rho)*
+    (
+        (fvc::interpolate(U) & mesh.Sf())
+      + fvc::ddtPhiCorr(rUA, rho, U, phi)
+    );
+
+while (piso.correctNonOrthogonal())
 {
-    phi =
+    fvScalarMatrix pEqn
-        fvc::interpolate(rho)*
+    (
-        (
+        psi*fvm::ddt(p)
-            (fvc::interpolate(U) & mesh.Sf())
+      + drhodh*fvc::ddt(h)
-          + fvc::ddtPhiCorr(rUA, rho, U, phi)
+      + fvc::div(phi)
-        );
+      - fvm::laplacian(rho*rUA, p)
+    );
 
-    while (piso.correctNonOrthogonal())
+    pEqn.solve();
+
+    if (piso.finalNonOrthogonalIter())
     {
-        fvScalarMatrix pEqn
+        phi += pEqn.flux();
-        (
-            psi*fvm::ddt(p)
-          + drhodh*fvc::ddt(h)
-          + fvc::div(phi)
-          - fvm::laplacian(rho*rUA, p)
-        );
-
-        pEqn.solve();
-
-        if (piso.finalNonOrthogonalIter())
-        {
-            phi += pEqn.flux();
-        }
-    }
-}
-else
-{
-    if (piso.transonic())
-    {
-        surfaceScalarField phid
-        (
-            "phid",
-            fvc::interpolate(psi)
-           *(
-                (fvc::interpolate(U) & mesh.Sf())
-               + fvc::ddtPhiCorr(rUA, rho, U, phi)
-            )
-        );
-
-        while (piso.correctNonOrthogonal())
-        {
-            fvScalarMatrix pEqn
-            (
-                fvm::ddt(psi, p)
-              + fvm::div(phid, p)
-              - fvm::laplacian(rho*rUA, p)
-            );
-
-            pEqn.solve();
-
-            if (piso.finalNonOrthogonalIter())
-            {
-                phi == pEqn.flux();
-            }
-        }
-    }
-    else
-    {
-        phi =
-        fvc::interpolate(rho)*
-        (
-            (fvc::interpolate(U) & mesh.Sf())
-          + fvc::ddtPhiCorr(rUA, rho, U, phi)
-        );
-
-        while (piso.correctNonOrthogonal())
-        {
-            fvScalarMatrix pEqn
-            (
-                fvm::ddt(psi, p)
-              + fvc::div(phi)
-              - fvm::laplacian(rho*rUA, p)
-            );
-
-            pEqn.solve();
-
-            if (piso.finalNonOrthogonalIter())
-            {
-                phi += pEqn.flux();
-            }
-        }
     }
 }
 

applications/solvers/compressible/realFluidPisoFoam/realFluidPisoFoam.C

@@ -23,13 +23,13 @@ License
     Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
 
 Application
-    rhoPisoFoam
+    realFluidPisoFoam
 
 Description
-    Transient PISO solver for compressible, laminar or turbulent flow.
+    Transient PISO solver for compressible, laminar or turbulent flow
-   
+    of real fluids e.g. real gases (cubic equations of state)
-    CL: rhoPisoFoam with a changed pressure equation for non-perfect gas fluids
+
-    CL: see realFluid flag
+    Solver cannot be used with perfect gas library
 
 \*---------------------------------------------------------------------------*/
 

src/thermophysicalModels/basic/IAPWS_Waterproperties/IAPWSThermo/IAPWS-IF97.C

@@ -27,8 +27,8 @@ Christian Lucas
 Institut für Thermodynamik
 Technische Universität Braunschweig
 Germany
-\*---------------------------------------------------------------------------*/
 
+\*---------------------------------------------------------------------------*/
 
 #include "IAPWS-IF97.H"
 
@@ -55,6 +55,7 @@ void Foam::calculateProperties_ph
     calculateProperties_h(S,p,h,T,rho,psi,drhodh,mu,alpha,x);
 }
 
+
 //CL: calculated all (minimal) needed properties + the vapor mass fraction for a given pressure and enthalpy
 void Foam::calculateProperties_ph
 (
@@ -75,6 +76,7 @@ void Foam::calculateProperties_ph
     calculateProperties_h(S,p,h,T,rho,psi,drhodh,mu,alpha,x);
 }
 
+
 //CL: calculated all (minimal) needed properties for a given pressure and temperature
 void Foam::calculateProperties_pT
 (
@@ -98,6 +100,7 @@ void Foam::calculateProperties_pT
     calculateProperties_h(S,p,h,T,rho,psi,drhodh,mu,alpha,x);
 }
 
+
 //CL: calculated all (minimal) needed properties + the vapor mass fraction for a given pressure and temperature
 void Foam::calculateProperties_pT
 (
@@ -305,24 +308,28 @@ void Foam::calculateProperties_h
     }
 }
 
+
 //CL: returns density for given pressure and temperature
 Foam::scalar Foam::rho_pT(scalar p,scalar T)
 {
     return 1/freesteam_v(freesteam_set_pT(p,T));
 }
 
+
 //CL: returns density for given pressure and enthalpy
 Foam::scalar Foam::rho_ph(scalar p,scalar h)
 {
     return 1/freesteam_v(freesteam_set_ph(p,h));
 }
 
+
 //CL: returns Cp(heat capacity @ contant pressure) for given pressure and temperature
 Foam::scalar Foam::cp_pT(scalar p,scalar T)
 {
     return freesteam_cp(freesteam_set_pT(p,T));
 }
 
+
 //CL: returns Cp(heat capacity @ contant pressure) for given pressure and enthalpy
 Foam::scalar Foam::cp_ph(scalar p,scalar h)
 {
@@ -335,18 +342,21 @@ Foam::scalar Foam::cv_pT(scalar p,scalar T)
     return freesteam_cv(freesteam_set_pT(p,T));
 }
 
+
 //CL: returns Cv (heat capacity @ contant volume) for given pressure and enthalpy
 Foam::scalar Foam::cv_ph(scalar p,scalar h)
 {
     return freesteam_cv(freesteam_set_ph(p,h));
 }
 
+
 //CL: returns enthalpy for given pressure and temperature
 Foam::scalar Foam::h_pT(scalar p,scalar T)
 {
     return freesteam_h(freesteam_set_pT(p,T));
 }
 
+
 //CL: returns temperature for given pressure and enthalpy
 Foam::scalar Foam::T_ph(scalar p,scalar h)
 {
@@ -430,7 +440,6 @@ Foam::scalar Foam::psiH(SteamState S)
         scalar dvldp,dvvdp,dhldp,dhvdp;
         scalar dpdT,dvdp,dxdp;
 
-
         SteamState Sl,Sv;
 
         rho=1/freesteam_region4_v_Tx(S.R4.T,S.R4.x);
@@ -539,7 +548,6 @@ Foam::scalar Foam::drhodh(SteamState S)
     }
     else if (region==3)
     {
-
         scalar gamma,cv,p;
 
         p=freesteam_region3_p_rhoT(S.R3.rho,S.R3.T);
@@ -557,7 +565,6 @@ Foam::scalar Foam::drhodh(SteamState S)
     }
     else if (region==4)
     {
-
         scalar vv,vl,hl,hv,p;
         SteamState Sl,Sv;
 

src/thermophysicalModels/basic/IAPWS_Waterproperties/IAPWSThermo/IAPWS-IF97.H

@@ -37,6 +37,7 @@ Christian Lucas
 Institut für Thermodynamik
 Technische Universität Braunschweig
 Germany
+
 \*---------------------------------------------------------------------------*/
 #ifndef IAPWSIF97_H
 #define IAPWSIF97_H

src/thermophysicalModels/basic/IAPWS_Waterproperties/IAPWSThermo/IAPWSThermo.C

@@ -211,14 +211,12 @@ Foam::IAPWSThermo::IAPWSThermo
 
 // * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
 
-
 Foam::IAPWSThermo::~IAPWSThermo()
 {}
 
 
 // * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
 
-
 void Foam::IAPWSThermo::correct()
 {
     if (debug)

src/thermophysicalModels/basic/IAPWS_Waterproperties/IAPWSThermo/IAPWSThermo.H

@@ -43,7 +43,6 @@ Institut für Thermodynamik
 Technische Universität Braunschweig
 Germany
 
-
 \*---------------------------------------------------------------------------*/
 
 #ifndef IAPWSThermo_H

src/thermophysicalModels/basic/IAPWS_Waterproperties/IAPWSThermo/IAPWSThermos.C

@@ -30,17 +30,9 @@ Germany
 
 \*---------------------------------------------------------------------------*/
 
-
 #include "makeBasicPsiThermo.H"
 #include "IAPWSThermo.H"
 
-// including dummy classes --> this classes do nothing
-// except satisfy the template structure
-//#include "dummyEqnOfState.H"
-//#include "dummyThermo.H"
-//#include "dummyH.H"
-//#include "dummyTransport.H"
-
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
 namespace Foam
@@ -48,18 +40,6 @@ namespace Foam
 
 /* * * * * * * * * * * * * * * private static data * * * * * * * * * * * * * */
 
-/*
-makeBasicRealGasThermo
-(
-    IAPWSThermo,
-    pureMixture,
-    dummyTransport,
-    dummyThermo,
-    dummyH,
-    dummyEqnOfState
-);
-*/
-
 makeBasicExternalLibraryBasedThermo
 (
     IAPWSThermo

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

@@ -33,12 +33,19 @@ Description
 #include "makeBasicMixture.H"
 
 #include "perfectGas.H"
+#include "redlichKwong.H"
+#include "pengRobinson.H"
+#include "aungierRedlichKwong.H"
+#include "soaveRedlichKwong.H"
 
 #include "eConstThermo.H"
 
 #include "hConstThermo.H"
 #include "janafThermo.H"
+#include "nasaHeatCapacityPolynomial.H"
+#include "constantHeatCapacity.H"
 #include "specieThermo.H"
+#include "realGasSpecieThermo.H"
 
 #include "constTransport.H"
 #include "sutherlandTransport.H"
@@ -49,13 +56,6 @@ Description
 
 #include "addToRunTimeSelectionTable.H"
 
-#include "redlichKwong.H"
-#include "pengRobinson.H"
-#include "aungierRedlichKwong.H"
-#include "soaveRedlichKwong.H"
-#include "realGasSpecieThermo.H"
-#include "nasaHeatCapacityPolynomial.H"
-
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
 namespace Foam
@@ -118,7 +118,6 @@ makeBasicRealFluidMixture
     redlichKwong
 );
 
-
 makeBasicRealFluidMixture
 (
     pureMixture,
@@ -137,7 +136,6 @@ makeBasicRealFluidMixture
     aungierRedlichKwong
 );
 
-
 makeBasicRealFluidMixture
 (
     pureMixture,
@@ -147,8 +145,6 @@ makeBasicRealFluidMixture
     soaveRedlichKwong
 );
 
-
-
 makeBasicRealFluidMixture
 (
     pureMixture,
@@ -158,7 +154,6 @@ makeBasicRealFluidMixture
     redlichKwong
 );
 
-
 makeBasicRealFluidMixture
 (
     pureMixture,
@@ -168,7 +163,6 @@ makeBasicRealFluidMixture
     pengRobinson
 );
 
-
 makeBasicRealFluidMixture
 (
     pureMixture,
@@ -178,7 +172,6 @@ makeBasicRealFluidMixture
     aungierRedlichKwong
 );
 
-
 makeBasicRealFluidMixture
 (
     pureMixture,
@@ -188,6 +181,78 @@ makeBasicRealFluidMixture
     soaveRedlichKwong
 );
 
+makeBasicRealFluidMixture
+(
+    pureMixture,
+    sutherlandTransport,
+    realGasSpecieThermo,
+    constantHeatCapacity,
+    redlichKwong
+);
+
+makeBasicRealFluidMixture
+(
+    pureMixture,
+    sutherlandTransport,
+    realGasSpecieThermo,
+    constantHeatCapacity,
+    pengRobinson
+);
+
+makeBasicRealFluidMixture
+(
+    pureMixture,
+    sutherlandTransport,
+    realGasSpecieThermo,
+    constantHeatCapacity,
+    aungierRedlichKwong
+);
+
+makeBasicRealFluidMixture
+(
+    pureMixture,
+    sutherlandTransport,
+    realGasSpecieThermo,
+    constantHeatCapacity,
+    soaveRedlichKwong
+);
+
+makeBasicRealFluidMixture
+(
+    pureMixture,
+    constTransport,
+    realGasSpecieThermo,
+    constantHeatCapacity,
+    redlichKwong
+);
+
+makeBasicRealFluidMixture
+(
+    pureMixture,
+    constTransport,
+    realGasSpecieThermo,
+    constantHeatCapacity,
+    pengRobinson
+);
+
+makeBasicRealFluidMixture
+(
+    pureMixture,
+    constTransport,
+    realGasSpecieThermo,
+    constantHeatCapacity,
+    aungierRedlichKwong
+);
+
+makeBasicRealFluidMixture
+(
+    pureMixture,
+    constTransport,
+    realGasSpecieThermo,
+    constantHeatCapacity,
+    soaveRedlichKwong
+);
+
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 

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

@@ -68,6 +68,17 @@ defineTemplateTypeNameAndDebugWithName                                        \
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
+#define makeBasicRealFluidMixture(Mixture,Transport,SpecieThermo,Thermo,EqnOfState)                 \
+                                                                              \
+typedef Mixture<Transport<SpecieThermo<Thermo<EqnOfState> > > >               \
+    Mixture##Transport##SpecieThermo##Thermo##EqnOfState;                     \
+                                                                              \
+defineTemplateTypeNameAndDebugWithName                                        \
+    (Mixture##Transport##SpecieThermo##Thermo##EqnOfState,                    \
+    #Mixture"<"#Transport"<"#SpecieThermo"<"#Thermo"<"#EqnOfState">>>>", 0)
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
 #endif
 
 // ************************************************************************* //

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

@@ -1,9 +1,9 @@
 /*---------------------------------------------------------------------------*\
   =========                 |
   \\      /  F ield         | foam-extend: Open Source CFD
-   \\    /   O peration     | Version:     3.2
+   \\    /   O peration     |
-    \\  /    A nd           | Web:         http://www.foam-extend.org
+    \\  /    A nd           | For copyright notice see file Copyright
-     \\/     M anipulation  | For copyright notice see file Copyright
+     \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
     This file is part of foam-extend.
@@ -62,4 +62,5 @@ const Foam::volScalarField& Foam::basicPsiThermo::drhode() const
     return const_cast<volScalarField&>(volScalarField::null());
 }
 
+
 // ************************************************************************* //

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

@@ -58,8 +58,6 @@ addToRunTimeSelectionTable                                                    \
 )
 
 
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
 #define makeBasicRealGasThermo(Cthermo,Mixture,Transport,SpecieThermo,Thermo,EqnOfState) \

src/thermophysicalModels/basic/psiThermo/realGasEThermo/realGasEThermo.C

@@ -221,6 +221,7 @@ void Foam::realGasEThermo<MixtureType>::correct()
     }
 }
 
+
 template<class MixtureType>
 Foam::tmp<Foam::scalarField> Foam::realGasEThermo<MixtureType>::e
 (
@@ -265,6 +266,7 @@ Foam::tmp<Foam::scalarField> Foam::realGasEThermo<MixtureType>::e
     return te;
 }
 
+
 template<class MixtureType>
 Foam::tmp<Foam::scalarField> Foam::realGasEThermo<MixtureType>::rho
 (
@@ -287,6 +289,7 @@ Foam::tmp<Foam::scalarField> Foam::realGasEThermo<MixtureType>::rho
     return trho;
 }
 
+
 template<class MixtureType>
 Foam::tmp<Foam::scalarField> Foam::realGasEThermo<MixtureType>::Cp
 (
@@ -309,6 +312,7 @@ Foam::tmp<Foam::scalarField> Foam::realGasEThermo<MixtureType>::Cp
     return tCp;
 }
 
+
 template<class MixtureType>
 Foam::tmp<Foam::volScalarField> Foam::realGasEThermo<MixtureType>::Cp() const
 {
@@ -376,6 +380,7 @@ Foam::tmp<Foam::scalarField> Foam::realGasEThermo<MixtureType>::Cv
     return tCv;
 }
 
+
 // CL: Maybe this function should be changed so that it is not "const" function anymore
 template<class MixtureType>
 Foam::tmp<Foam::volScalarField> Foam::realGasEThermo<MixtureType>::rho()  const
@@ -442,6 +447,7 @@ Foam::tmp<Foam::volScalarField> Foam::realGasEThermo<MixtureType>::rho()  const
     return trho;
 }
 
+
 template<class MixtureType>
 Foam::tmp<Foam::volScalarField> Foam::realGasEThermo<MixtureType>::Cv() const
 {

src/thermophysicalModels/basic/psiThermo/realGasEThermo/realGasEThermos.C

@@ -28,14 +28,10 @@ Institut für Thermodynamik
 Technische Universität Braunschweig
 Germany
 
-
-
 \*---------------------------------------------------------------------------*/
 
-
 #include "makeBasicPsiThermo.H"
 
-
 #include "redlichKwong.H"
 #include "pengRobinson.H"
 #include "aungierRedlichKwong.H"
@@ -44,7 +40,7 @@ Germany
 #include "realGasSpecieThermo.H"
 #include "constTransport.H"
 #include "sutherlandTransport.H"
-
+#include "constantHeatCapacity.H"
 #include "pureMixture.H"
 #include "realGasEThermo.H"
 
@@ -136,6 +132,88 @@ makeBasicRealGasThermo
     soaveRedlichKwong
 );
 
+makeBasicRealGasThermo
+(
+    realGasEThermo,
+    pureMixture,
+    sutherlandTransport,
+    realGasSpecieThermo,
+    constantHeatCapacity,
+    pengRobinson
+);
+
+
+makeBasicRealGasThermo
+(
+    realGasEThermo,
+    pureMixture,
+    sutherlandTransport,
+    realGasSpecieThermo,
+    constantHeatCapacity,
+    aungierRedlichKwong
+);
+
+makeBasicRealGasThermo
+(
+    realGasEThermo,
+    pureMixture,
+    sutherlandTransport,
+    realGasSpecieThermo,
+    constantHeatCapacity,
+    redlichKwong
+);
+
+makeBasicRealGasThermo
+(
+    realGasEThermo,
+    pureMixture,
+    sutherlandTransport,
+    realGasSpecieThermo,
+    constantHeatCapacity,
+    soaveRedlichKwong
+);
+
+makeBasicRealGasThermo
+(
+    realGasEThermo,
+    pureMixture,
+    constTransport,
+    realGasSpecieThermo,
+    constantHeatCapacity,
+    pengRobinson
+);
+
+makeBasicRealGasThermo
+(
+    realGasEThermo,
+    pureMixture,
+    constTransport,
+    realGasSpecieThermo,
+    constantHeatCapacity,
+    aungierRedlichKwong
+);
+
+makeBasicRealGasThermo
+(
+    realGasEThermo,
+    pureMixture,
+    constTransport,
+    realGasSpecieThermo,
+    constantHeatCapacity,
+    redlichKwong
+);
+
+makeBasicRealGasThermo
+(
+    realGasEThermo,
+    pureMixture,
+    constTransport,
+    realGasSpecieThermo,
+    constantHeatCapacity,
+    soaveRedlichKwong
+);
+
+
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
 } // End namespace Foam

src/thermophysicalModels/basic/psiThermo/realGasHThermo/realGasHThermo.C

@@ -220,6 +220,7 @@ void Foam::realGasHThermo<MixtureType>::correct()
     }
 }
 
+
 template<class MixtureType>
 Foam::tmp<Foam::scalarField> Foam::realGasHThermo<MixtureType>::h
 (
@@ -242,6 +243,7 @@ Foam::tmp<Foam::scalarField> Foam::realGasHThermo<MixtureType>::h
     return th;
 }
 
+
 template<class MixtureType>
 Foam::tmp<Foam::scalarField> Foam::realGasHThermo<MixtureType>::h
 (
@@ -264,6 +266,7 @@ Foam::tmp<Foam::scalarField> Foam::realGasHThermo<MixtureType>::h
     return th;
 }
 
+
 template<class MixtureType>
 Foam::tmp<Foam::scalarField> Foam::realGasHThermo<MixtureType>::rho
 (
@@ -286,6 +289,7 @@ Foam::tmp<Foam::scalarField> Foam::realGasHThermo<MixtureType>::rho
     return trho;
 }
 
+
 template<class MixtureType>
 Foam::tmp<Foam::scalarField> Foam::realGasHThermo<MixtureType>::Cp
 (
@@ -308,6 +312,7 @@ Foam::tmp<Foam::scalarField> Foam::realGasHThermo<MixtureType>::Cp
     return tCp;
 }
 
+
 template<class MixtureType>
 Foam::tmp<Foam::volScalarField> Foam::realGasHThermo<MixtureType>::Cp() const
 {
@@ -375,6 +380,7 @@ Foam::tmp<Foam::scalarField> Foam::realGasHThermo<MixtureType>::Cv
     return tCv;
 }
 
+
 // CL: Maybe this function should be changed so that it is not "const" fucntion anymore
 template<class MixtureType>
 Foam::tmp<Foam::volScalarField> Foam::realGasHThermo<MixtureType>::rho()  const
@@ -441,6 +447,7 @@ Foam::tmp<Foam::volScalarField> Foam::realGasHThermo<MixtureType>::rho()  const
     return trho;
 }
 
+
 template<class MixtureType>
 Foam::tmp<Foam::volScalarField> Foam::realGasHThermo<MixtureType>::Cv() const
 {

src/thermophysicalModels/basic/psiThermo/realGasHThermo/realGasHThermos.C

@@ -28,14 +28,10 @@ Institut für Thermodynamik
 Technische Universität Braunschweig
 Germany
 
-
-
 \*---------------------------------------------------------------------------*/
 
-
 #include "makeBasicPsiThermo.H"
 
-
 #include "redlichKwong.H"
 #include "pengRobinson.H"
 #include "aungierRedlichKwong.H"
@@ -44,7 +40,7 @@ Germany
 #include "realGasSpecieThermo.H"
 #include "constTransport.H"
 #include "sutherlandTransport.H"
-
+#include "constantHeatCapacity.H"
 #include "pureMixture.H"
 #include "realGasHThermo.H"
 
@@ -106,9 +102,6 @@ makeBasicRealGasThermo
     pengRobinson
 );
 
-
-
-
 makeBasicRealGasThermo
 (
     realGasHThermo,
@@ -139,6 +132,88 @@ makeBasicRealGasThermo
     soaveRedlichKwong
 );
 
+makeBasicRealGasThermo
+(
+    realGasHThermo,
+    pureMixture,
+    sutherlandTransport,
+    realGasSpecieThermo,
+    constantHeatCapacity,
+    pengRobinson
+);
+
+
+makeBasicRealGasThermo
+(
+    realGasHThermo,
+    pureMixture,
+    sutherlandTransport,
+    realGasSpecieThermo,
+    constantHeatCapacity,
+    aungierRedlichKwong
+);
+
+makeBasicRealGasThermo
+(
+    realGasHThermo,
+    pureMixture,
+    sutherlandTransport,
+    realGasSpecieThermo,
+    constantHeatCapacity,
+    redlichKwong
+);
+
+makeBasicRealGasThermo
+(
+    realGasHThermo,
+    pureMixture,
+    sutherlandTransport,
+    realGasSpecieThermo,
+    constantHeatCapacity,
+    soaveRedlichKwong
+);
+
+makeBasicRealGasThermo
+(
+    realGasHThermo,
+    pureMixture,
+    constTransport,
+    realGasSpecieThermo,
+    constantHeatCapacity,
+    pengRobinson
+);
+
+makeBasicRealGasThermo
+(
+    realGasHThermo,
+    pureMixture,
+    constTransport,
+    realGasSpecieThermo,
+    constantHeatCapacity,
+    aungierRedlichKwong
+);
+
+makeBasicRealGasThermo
+(
+    realGasHThermo,
+    pureMixture,
+    constTransport,
+    realGasSpecieThermo,
+    constantHeatCapacity,
+    redlichKwong
+);
+
+makeBasicRealGasThermo
+(
+    realGasHThermo,
+    pureMixture,
+    constTransport,
+    realGasSpecieThermo,
+    constantHeatCapacity,
+    soaveRedlichKwong
+);
+
+
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
 } // End namespace Foam

src/thermophysicalModels/specie/Make/files

@@ -8,17 +8,12 @@ $(atomicWeights)/atomicWeights.C
 $(specie)/specie.C
 $(speciesTable)/speciesTable.C
 $(equationOfState)/perfectGas/perfectGas.C
+$(equationOfState)/cubicEquationOfState/redlichKwong/redlichKwong.C
+$(equationOfState)/cubicEquationOfState/aungierRedlichKwong/aungierRedlichKwong.C
+$(equationOfState)/cubicEquationOfState/pengRobinson/pengRobinson.C
+$(equationOfState)/cubicEquationOfState/soaveRedlichKwong/soaveRedlichKwong.C
 $(reactions)/makeChemkinReactions.C
 $(reactions)/makeReactionThermoReactions.C
 $(reactions)/makeLangmuirHinshelwoodReactions.C
 
-$(equationOfState)/cubicEquationOfState/aungierRedlichKwong/aungierRedlichKwong.C
-$(equationOfState)/cubicEquationOfState/pengRobinson/pengRobinson.C
-$(equationOfState)/cubicEquationOfState/redlichKwong/redlichKwong.C
-$(equationOfState)/cubicEquationOfState/soaveRedlichKwong/soaveRedlichKwong.C
-$(equationOfState)/cubicEquationOfState/mixtures/mixtureRedlichKwong/mixtureRedlichKwong.C
-$(equationOfState)/cubicEquationOfState/mixtures/mixturePengRobinson/mixturePengRobinson.C
-$(equationOfState)/cubicEquationOfState/mixtures/mixtureSoaveRedlichKwong/mixtureSoaveRedlichKwong.C
-
-
 LIB = $(FOAM_LIBBIN)/libspecie

src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/aungierRedlichKwong/aungierRedlichKwong.C

@@ -36,67 +36,72 @@ Germany
 #include "aungierRedlichKwong.H"
 #include "IOstreams.H"
 
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-namespace Foam
-{
-
 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
 
-aungierRedlichKwong::aungierRedlichKwong(Istream& is)
+Foam::aungierRedlichKwong::aungierRedlichKwong(Istream& is)
 :
     specie(is),
     pcrit_(readScalar(is)),
     Tcrit_(readScalar(is)),
-    azentricFactor_(readScalar(is)),
     rhocrit_(readScalar(is)),
-    a0_(0.42747*pow(this->RR(),2)*pow(Tcrit_,2)/pcrit_),
+    azentricFactor_(readScalar(is)),
+    a0_(0.42747*pow(this->RR(), 2)*pow(Tcrit_, 2)/pcrit_),
     b_(0.08664*this->RR()*Tcrit_/pcrit_),
-    c_(this->RR()*Tcrit_/(pcrit_+(a0_/(this->W()/rhocrit_*(this->W()/rhocrit_+b_))))+b_-this->W()/rhocrit_),
+    c_(this->RR()*Tcrit_/(pcrit_+(a0_/(this->W()/rhocrit_*(this->W()/rhocrit_ + b_)))) + b_ - this->W()/rhocrit_),
-    n_(0.4986+1.2735*azentricFactor_+0.4754*pow(azentricFactor_,2)),
+    n_(0.4986 + 1.2735*azentricFactor_ + 0.4754*pow(azentricFactor_, 2)),
+    b2_(b_*b_),
+    b3_(b2_*b_),
+    b4_(b3_*b_),
+    b5_(b4_*b_),
+    c2_(c_*c_),
     //CL: Only uses the default values
-    b2_(pow(b_,2)),
-    b3_(pow(b_,3)),
-    b4_(pow(b_,4)),
-    b5_(pow(b_,5)),
-    c2_(pow(c_,2)),
-    rhoMax_(1500),
     rhoMin_(1e-3),
+    rhoMax_(1500),
     // Starting GUESS for the density by ideal gas law
-    TSave(0.0),
+    rhostd_(this->rho(this->Pstd(), this->Tstd(), this->Pstd()/(this->Tstd()*this->R()))),
-    rhostd_(this->rho(this->Pstd(),this->Tstd(),this->Pstd()/(this->Tstd()*this->R())))
+    aSave(0.0),
+    daSave(0.0),
+    d2aSave(0.0),
+    TSave(0.0)
 {
     is.check("aungierRedlichKwong::aungierRedlichKwong(Istream& is)");
 }
+
 //CL: Constructed needed in OpenFOAM 2.x.x
 //CL: Code works fine, but compiling problem in OpenFOAM 1.6.ext
 //CL:  because specie has no constructor using dict
 /*
-aungierRedlichKwong::aungierRedlichKwong(const dictionary& dict)
+Foam::aungierRedlichKwong::aungierRedlichKwong(const dictionary& dict)
 :
     specie(dict),
     pcrit_(readScalar(dict.subDict("equationOfState").lookup("pCritical"))),
     Tcrit_(readScalar(dict.subDict("equationOfState").lookup("TCritical"))),
-    azentricFactor_(readScalar(dict.subDict("equationOfState").lookup("azentricFactor"))),
     rhocrit_(readScalar(dict.subDict("equationOfState").lookup("rhoCritical"))),
+    azentricFactor_(readScalar(dict.subDict("equationOfState").lookup("azentricFactor"))),
+    a0_(0.42747*pow(this->RR(), 2)*pow(Tcrit_, 2)/pcrit_),
+    b_(0.08664*this->RR()*Tcrit_/pcrit_),
+    c_(this->RR()*Tcrit_/(pcrit_+(a0_/(this->W()/rhocrit_*(this->W()/rhocrit_+b_))))+b_-this->W()/rhocrit_),
+    n_(0.4986+1.2735*azentricFactor_+0.4754*pow(azentricFactor_,2)),
+    b2_(b_*b_),
+    b3_(b2_*b_),
+    b4_(b3_*b_),
+    b5_(b4_*b_),
+    c2_(pow(c_,2)),
     //CL: rhoMin and rhoMax are only used as boundaries for the bisection method (see rho function)
     //CL: important: rhoMin and rhoMax are not used as boundary for the newton solver
     //CL: therefore, rho can be larger than rhoMax and smaller than rhoMin
     rhoMin_(dict.subDict("equationOfState").lookupOrDefault("rhoMin",1e-3)),
     rhoMax_(dict.subDict("equationOfState").lookupOrDefault("rhoMax",1500)),
-    a0_(0.42747*pow(this->RR(),2)*pow(Tcrit_,2)/pcrit_),
-    b_(0.08664*this->RR()*Tcrit_/pcrit_),
-    c_(this->RR()*Tcrit_/(pcrit_+(a0_/(this->W()/rhocrit_*(this->W()/rhocrit_+b_))))+b_-this->W()/rhocrit_),
-    n_(0.4986+1.2735*azentricFactor_+0.4754*pow(azentricFactor_,2)),
-    TSave(0.0),
-    b2_(pow(b_,2)),
-    b3_(pow(b_,3)),
-    b4_(pow(b_,4)),
-    b5_(pow(b_,5)),
-    c2_(pow(c_,2)),
     // Starting GUESS for the density by ideal gas law
-    rhostd_(this->rho(Pstd,Tstd,Pstd/(Tstd*this->R())))
+    rhostd_(this->rho(this->Pstd(), this->Tstd(), this->Pstd()/(this->Tstd()*this->R()))),
-{}
+    aSave(0.0),
+    daSave(0.0),
+    d2aSave(0.0),
+    TSave(0.0)
+{ 
+    is.check("aungierRedlichKwong::aungierRedlichKwong(Istream& is)");
+}
+
 
 // * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
 
@@ -115,9 +120,11 @@ void Foam::aungierRedlichKwong::write(Ostream& os) const
     os  << indent << dict.dictName() << dict;
 }
 */
+
+
 // * * * * * * * * * * * * * * * Ostream Operator  * * * * * * * * * * * * * //
 
-Ostream& operator<<(Ostream& os, const aungierRedlichKwong& ark)
+Foam::Ostream& Foam::operator<<(Ostream& os, const aungierRedlichKwong& ark)
 {
     os  << static_cast<const specie&>(ark)<< token::SPACE
         << ark.pcrit_ << tab<< ark.Tcrit_<< tab<<ark.azentricFactor_<< tab<<ark.rhocrit_;
@@ -127,8 +134,4 @@ Ostream& operator<<(Ostream& os, const aungierRedlichKwong& ark)
 }
 
 
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-} // End namespace Foam
-
 // ************************************************************************* //

src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/aungierRedlichKwong/aungierRedlichKwong.H

@@ -63,33 +63,33 @@ namespace Foam
 class aungierRedlichKwong
 :
     public specie
-
 {
-
+    // private data
-protected:
+    //CL: data at critical point
-
+    scalar pcrit_;
-    // Private data
+    scalar Tcrit_; 
-        scalar pcrit_;
+    scalar rhocrit_;
-        scalar Tcrit_;
+    scalar azentricFactor_;
-        scalar azentricFactor_;
-        scalar rhocrit_;
 
     //Aungier Redlich Kwong factors
-        mutable scalar a0_;
+    scalar a0_;
-        mutable scalar b_;
+    scalar b_;
-        mutable scalar c_;
+    scalar c_;
-        mutable scalar n_;
+    scalar n_;
 
     //CL: pow of constants (b_, c_) used in the code e.g. b2_=b*b;
-        mutable scalar b2_;
+    scalar b2_;
-        mutable scalar b3_;
+    scalar b3_;
-        mutable scalar b4_;
+    scalar b4_;
-        mutable scalar b5_;
+    scalar b5_;
-        mutable scalar c2_;
+    scalar c2_;
 
     //CL: rhoMin and rhoMax are only used as boundaries for the bisection methode (see rho function)
-    scalar rhoMax_;
     scalar rhoMin_;
+    scalar rhoMax_;
+
+    //- Density @STD, initialise after a0, b, c, n!
+    scalar rhostd_;
 
     //CL: Variables to save the values of a, dadT and d2adT2 of the mixture
     //CL: Variables must corrected for changing temperatures
@@ -100,16 +100,12 @@ protected:
     //CL: save the temperature for which the save coefficients (amix,dadTmix,d2adT2mix) are correct
     mutable scalar TSave;
 
-    //Density @STD, initialise after a, b!
-        scalar rhostd_;
-
     //Protected functions
     //CL: function updates the coefficients (aSave, daSave, d2aSave)
     inline void updateModelCoefficients(const  scalar T) const;
 
 public:
 
-
     // Constructors
 
         //- Construct from components
@@ -135,51 +131,51 @@ public:
 
    // Member functions
 
+        //Return Aungier Redlich Kwong factors
+        inline scalar a0() const;
+
+        inline scalar b() const;
+
+        inline scalar c() const;
+
+        inline scalar n() const;
+
         inline scalar rhostd() const;
 
+        inline scalar rhoMin() const;
+
+        inline scalar rhoMax() const;
+
+        inline scalar Tcrit() const;
+
+        inline scalar pcrit() const;
+
+        inline scalar rhocrit() const;
+
+        inline scalar azentricFactor() const;
+
         //CL: Model coefficient a(T)
-        inline scalar a(const  scalar T)const;
+        inline scalar a(const scalar T) const;
 
         //CL: temperature deriviative of model coefficient a(T)
-        inline scalar dadT(const  scalar T)const;
+        inline scalar dadT(const scalar T) const;
 
         //CL: second order temperature deriviative of model coefficient a(T)
-        inline scalar d2adT2(const  scalar T)const;
+        inline scalar d2adT2(const scalar T) const;
-
-        //Return Aungier Redlich Kwong factors
-        inline scalar a0()const;
-
-        inline scalar b()const;
-
-        inline scalar c()const;
-
-        inline scalar n()const;
-
-        //CL: return power of constants (b_, c_)
-        inline scalar b2()const;
-
-        inline scalar b3()const;
-
-        inline scalar b4()const;
-
-        inline scalar b5()const;
-
-        inline scalar c2()const;
-
 
         //CL: Equation of state
         inline scalar p(const scalar rho, const scalar T) const;
 
         //CL: first order derivatives
-        inline scalar dpdv(const scalar rho, const  scalar T) const;
+        inline scalar dpdv(const scalar rho, const scalar T) const;
 
         inline scalar dpdT(const scalar rho, const scalar T) const;
 
-        inline scalar dvdT(const scalar rho, const  scalar T) const;
+        inline scalar dvdT(const scalar rho, const scalar T) const;
 
         inline scalar dvdp(const scalar rho, const scalar T) const;
 
-        inline scalar isobarExpCoef(const scalar rho, const  scalar T) const;
+        inline scalar isobarExpCoef(const scalar rho, const scalar T) const;
 
         inline scalar isothermalCompressiblity
         (
@@ -192,22 +188,30 @@ public:
         (
             const scalar rho,
             const scalar T
-        ) const ;
+        ) const;
 
         //CL: second order derivatives, not Used At The Moment
-        inline scalar d2pdv2(const scalar rho, const  scalar T) const;
+        inline scalar d2pdv2(const scalar rho, const scalar T) const;
 
-        inline scalar d2pdT2(const scalar rho,   scalar T) const;
+        inline scalar d2pdT2(const scalar rho, const scalar T) const;
 
-        inline scalar d2pdvdT(const scalar rho, const  scalar T) const;
+        inline scalar d2pdvdT(const scalar rho, const scalar T) const;
 
-        inline scalar d2vdT2(const scalar rho, const  scalar T) const;
+        inline scalar d2vdT2(const scalar rho, const scalar T) const;
 
         //CL: Used for internal Energy
-        inline scalar integral_p_dv(const scalar rho, const  scalar T) const;
+        inline scalar integral_p_dv
+        (
+            const scalar rho,
+            const scalar T
+        ) const;
 
         //CL: Used for Entropy
-        inline scalar integral_dpdT_dv(const scalar rho, const  scalar T) const;
+        inline scalar integral_dpdT_dv
+        (
+            const scalar rho,
+            const scalar T
+        ) const;
 
         //- Return density [kg/m^3]
         // rho0 is the starting point of the newton solver used to calculate rho
@@ -218,12 +222,12 @@ public:
             const scalar rho0
         ) const;
 
-        inline scalar rho(const scalar p, const  scalar T) const;
+        inline scalar rho(const scalar p, const scalar T) const;
 
         //- Return compressibility drho/dp at T=constant [s^2/m^2]
         inline scalar psi(const scalar rho, const scalar T) const;
 
-        //- Return compression factor  []
+        //- Return compression factor []
         inline scalar Z
         (
             const scalar p,
@@ -242,6 +246,8 @@ public:
 
         inline void operator+=(const aungierRedlichKwong&);
 
+        inline void operator*=(const scalar);
+
 
     // Friend operators
 
@@ -257,6 +263,7 @@ public:
             const aungierRedlichKwong&
         );
 
+
     // Ostream Operator
 
         friend Ostream& operator<<(Ostream&, const aungierRedlichKwong&);

src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/aungierRedlichKwong/aungierRedlichKwongI.H

@@ -45,7 +45,8 @@ inline aungierRedlichKwong::aungierRedlichKwong
     const specie& sp
 )
 :
-    specie(sp)
+    specie(sp),
+    TSave(0)
 {}
 
 
@@ -55,8 +56,8 @@ inline aungierRedlichKwong::aungierRedlichKwong(const word& name, const aungierR
     specie(name, pg),
     pcrit_(pg.pcrit_),
     Tcrit_(pg.Tcrit_),
-    azentricFactor_(pg.azentricFactor_),
     rhocrit_(pg.rhocrit_),
+    azentricFactor_(pg.azentricFactor_),
     a0_(pg.a0_),
     b_(pg.b_),
     c_(pg.c_),
@@ -66,11 +67,16 @@ inline aungierRedlichKwong::aungierRedlichKwong(const word& name, const aungierR
     b4_(pg.b4_),
     b5_(pg.b5_),
     c2_(pg.c2_),
-    rhostd_(pg.rhostd_)
+    rhoMin_(pg.rhoMin_),
+    rhoMax_(pg.rhoMax_),
+    rhostd_(pg.rhostd_),
+    aSave(0.0),
+    daSave(0.0),
+    d2aSave(0.0),
+    TSave(0.0)
 {}
 
 
-
 // Construct and return a clone
 inline autoPtr<aungierRedlichKwong> aungierRedlichKwong::clone() const
 {
@@ -85,18 +91,55 @@ inline autoPtr<aungierRedlichKwong> aungierRedlichKwong::New(Istream& is)
 }
 
 
-// * * * * * * * * * * * * *  Member Functions  * * * * * * * * * * * //
+// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
 
-inline scalar aungierRedlichKwong::rhostd()const
+inline scalar aungierRedlichKwong::rhostd() const
 {
     return rhostd_;
 }
 
+
+inline scalar aungierRedlichKwong::rhoMin() const
+{
+    return rhoMin_;
+}
+
+
+inline scalar aungierRedlichKwong::rhoMax() const
+{
+    return rhoMax_;
+}
+
+
+inline scalar aungierRedlichKwong::Tcrit() const
+{
+    return Tcrit_;
+}
+
+
+inline scalar aungierRedlichKwong::pcrit() const
+{
+    return pcrit_;
+}
+
+
+inline scalar aungierRedlichKwong::rhocrit() const
+{
+    return rhocrit_;
+}
+
+
+inline scalar aungierRedlichKwong::azentricFactor() const
+{
+    return azentricFactor_;
+}
+
+
 inline void aungierRedlichKwong::updateModelCoefficients(const scalar T)const
 {
-    aSave=a0_*pow(T/Tcrit_,-n());
+    aSave=a0_*pow(T/Tcrit_, -n_);
-    daSave=-a0_*n()*pow(T/Tcrit_,-n())/T;
+    daSave=-a0_*n_*pow(T/Tcrit_, -n_)/T;
-    d2aSave=a0_*(n() *n()+n())/(T*T)*pow(T/Tcrit_,-n());
+    d2aSave=a0_*(n_*n_ + n_)/(T*T)*pow(T/Tcrit_, -n_);
 
     //CL: saving the temperature at which the coefficients are valid
     TSave=T;
@@ -153,61 +196,36 @@ inline scalar aungierRedlichKwong::d2adT2(const scalar T)const
     }
 }
 
+
 //Aungier Redlich Kwong factors
-inline scalar aungierRedlichKwong::a0()const
+inline scalar aungierRedlichKwong::a0() const
 {
     return a0_;
 }
 
 
-inline scalar aungierRedlichKwong::b()const
+inline scalar aungierRedlichKwong::b() const
 {
     return b_;
 }
 
-inline scalar aungierRedlichKwong::c()const
+
+inline scalar aungierRedlichKwong::c() const
 {
     return c_;
 }
 
-inline scalar aungierRedlichKwong::n()const
+inline scalar aungierRedlichKwong::n() const
 {
     return n_;
 }
 
-//CL: pow of constants (b(), c()) used in the code e.g. b2_=b*b;
-inline scalar aungierRedlichKwong::b2()const
-{
-    return b2_;
-}
-
-inline scalar aungierRedlichKwong::b3()const
-{
-    return b3_;
-}
-
-inline scalar aungierRedlichKwong::b4()const
-{
-    return b4_;
-}
-
-inline scalar aungierRedlichKwong::b5()const
-{
-    return b5_;
-}
-
-inline scalar aungierRedlichKwong::c2()const
-{
-    return c2_;
-}
-
 
 //returns the pressure for a given density and temperature
-inline scalar aungierRedlichKwong::p(const scalar rho,const scalar T) const
+inline scalar aungierRedlichKwong::p(const scalar rho, const scalar T) const
 {
     scalar Vm = this->W()/rho;
-    return this->RR()*T/(Vm-b()+c())
+    return this->RR()*T/(Vm - b_ + c_) - a(T)/(Vm*(Vm + b_));
-               -a(T)/(Vm*(Vm+b()));
 }
 
 
@@ -215,12 +233,15 @@ inline scalar aungierRedlichKwong::p(const scalar rho,const scalar T) const
 //(molar values)
 inline scalar aungierRedlichKwong::dpdv(const scalar rho, const scalar T) const
 {
-   scalar Vm = this->W()/rho;
+    scalar Vm = this->W()/rho;
     scalar Vm2 = Vm*Vm;
 
-    return  (a(T)*(b3()-2*b2()*c()+b()*(c()+Vm)*(c()-3*Vm)+2*Vm*pow(c()+Vm,2))
+    return
-                   -this->RR()*T*Vm2*(b2()+2*b()*Vm+Vm2))
+    (
-                    /(Vm2*pow(b()-c()-Vm,2)*pow(b()+Vm,2));
+        a(T)*(b3_ - 2*b2_*c_ + b_*(c_ + Vm)*(c_ - 3*Vm) + 2*Vm*pow(c_ + Vm, 2))
+      - this->RR()*T*Vm2*(b2_ + 2*b_*Vm + Vm2)
+    )
+   /(Vm2*pow(b_ - c_ - Vm, 2)*pow(b_ + Vm, 2));
 }
 
 
@@ -229,24 +250,24 @@ inline scalar aungierRedlichKwong::dpdv(const scalar rho, const scalar T) const
 inline scalar aungierRedlichKwong::dpdT(const scalar rho, const scalar T) const
 {
     scalar Vm = this->W()/rho;
-    return this->RR()/(Vm-b()+c())-dadT(T)/(Vm*(Vm+b()));
+    return this->RR()/(Vm - b_ + c_)-dadT(T)/(Vm*(Vm + b_));
 }
 
 
 //Real  deviative dv/dT at constant pressure
 //using implicit differentiation
 //(molar values)
-inline scalar aungierRedlichKwong::dvdT(const scalar rho,const scalar T) const
+inline scalar aungierRedlichKwong::dvdT(const scalar rho, const scalar T) const
 {
-    return (-1)*this->dpdT(rho,T)/this->dpdv(rho,T);
+    return -this->dpdT(rho, T)/this->dpdv(rho, T);
 }
 
 
 //Real  deviative dv/dp at constant temperature
 //(molar values)
-inline scalar aungierRedlichKwong::dvdp(const scalar rho,const scalar T)  const
+inline scalar aungierRedlichKwong::dvdp(const scalar rho, const scalar T) const
 {
-    return 1/this->dpdv(rho,T);
+    return 1/this->dpdv(rho, T);
 }
 
 
@@ -259,7 +280,8 @@ inline scalar aungierRedlichKwong::integral_p_dv
 ) const
 {
     scalar Vm = this->W()/rho;
-    return this->RR()*T*log(-b()+c()+Vm)+a(T)*log(b()+Vm)/b()-a(T)*log(Vm)/b();
+    return this->RR()*T*log(-b_ + c_ + Vm) + a(T)/b_*(log(b_ + Vm) - log(Vm));
+    //return this->RR()*T*log(-b_ + c_ + Vm) + a(T)*log(b_ + Vm)/b_ - a(T)*log(Vm)/b_;
 }
 
 
@@ -272,7 +294,8 @@ inline scalar aungierRedlichKwong::integral_dpdT_dv
 ) const
 {
     scalar Vm = this->W()/rho;
-    return this->RR()*log(-b()+c()+Vm)+dadT(T)*log(b()+Vm)/b()-dadT(T)*log(Vm)/b();
+    return this->RR()*log(-b_ + c_ + Vm) + dadT(T)/b_*(log(b_ + Vm) - log(Vm));
+    //return this->RR()*log(-b_ + c_ + Vm) + dadT(T)*log(b_ + Vm)/b_ - dadT(T)*log(Vm)/b_;
 }
 
 
@@ -280,7 +303,7 @@ inline scalar aungierRedlichKwong::integral_dpdT_dv
 inline scalar aungierRedlichKwong::d2pdT2(const scalar rho,const scalar T) const
 {
     scalar Vm = this->W()/rho;
-    return -d2adT2(T)/(Vm*(Vm+b()));
+    return -d2adT2(T)/(Vm*(Vm + b_));
 }
 
 
@@ -289,39 +312,61 @@ inline scalar aungierRedlichKwong::d2pdv2(const scalar rho,const scalar T) const
 {
     scalar Vm = this->W()/rho;
     scalar Vm2 = Vm*Vm;
-    scalar Vm3 = Vm*Vm*Vm;
+    scalar Vm3 = Vm2*Vm;
 
-    return -2*(a(T)*(b5()-3*b4()*c()+3*b3()*(c2()-c()*Vm-Vm2)
+    return -2*
-               -b2()*(c()+Vm)*(c2()-7*c()*Vm+Vm2)+3*b()*Vm*pow(c()+Vm,2)*(2*Vm-c())
+    (
-                        -3*Vm2*pow(c()+Vm,3))+this->RR()*T*Vm3*(b3()+3*b2()*Vm
+        a(T)*
-                        +3*b()*Vm2+Vm3))
+        (
-                            /(Vm3*pow(b()-c()-Vm,3)*pow(b()+Vm,3));
+            b5_ - 3*b4_*c_ + 3*b3_*(c2_ - c_*Vm - Vm2)
+          - b2_*(c_ + Vm)*(c2_ - 7*c_*Vm+Vm2)
+          + 3*b_*Vm*pow(c_ + Vm, 2)*(2*Vm - c_)
+          - 3*Vm2*pow(c_ + Vm, 3)
+        )
+      + this->RR()*T*Vm3*(b3_ + 3*b2_*Vm + 3*b_*Vm2 + Vm3)
+    )
+   /(Vm3*pow(b_ - c_ - Vm, 3)*pow(b_ + Vm, 3));
 }
 
 
 //(molar values)
 //using second order implicit differentiation
-inline scalar aungierRedlichKwong::d2vdT2(const scalar rho, const scalar T) const
+inline scalar aungierRedlichKwong::d2vdT2
+(
+    const scalar rho,
+    const scalar T
+) const
 {
-    return
+    scalar dpdT2=this->dpdT(rho, T)*this->dpdT(rho, T);
+    scalar dpdv2=this->dpdv(rho, T)*this->dpdv(rho, T);
+    scalar dpdv3=dpdv2*this->dpdv(rho, T);
+
+    return 
     -(
-          pow(this->dpdT(rho,T),2)*this->d2pdv2(rho,T)
+          dpdT2*this->d2pdv2(rho, T)
-        + pow(this->dpdv(rho,T),2)*this->d2pdT2(rho,T)
+        + dpdv2*this->d2pdT2(rho, T)
-        - 2*this->dpdv(rho,T)*this->dpdT(rho,T)*this->d2pdvdT(rho,T)
+        - 2*this->dpdv(rho, T)*this->dpdT(rho, T)*this->d2pdvdT(rho, T)
     )
-    /(pow(this->dpdv(rho,T),3));
+    /dpdv3;
 }
 
 
 //(molar values)
-inline scalar aungierRedlichKwong::d2pdvdT(const scalar rho, const scalar T) const
+inline scalar aungierRedlichKwong::d2pdvdT
+(
+    const scalar rho,
+    const scalar T
+) const
 {
     scalar Vm = this->W()/rho;
     scalar Vm2 = Vm*Vm;
 
-    return (dadT(T)*(b3()-2*b2()*c()+b()*(c()+Vm)*(c()-3*Vm)+2*Vm*pow(c()+Vm,2))
+    return
-                 -this->RR()*Vm2*(b2()+2*b()*Vm+Vm2))
+    (
-                   /(Vm2*pow(b()-c()-Vm,2)*pow(b()+Vm,2));
+        dadT(T)*(b3_ - 2*b2_*c_ + b_*(c_ + Vm)*(c_ - 3*Vm)+2*Vm*pow(c_ + Vm, 2))
+      - this->RR()*Vm2*(b2_ + 2*b_*Vm + Vm2)
+    )
+    /(Vm2*pow(b_ - c_ - Vm, 2)*pow(b_ + Vm, 2));
 }
 
 
@@ -334,13 +379,17 @@ inline scalar aungierRedlichKwong::integral_d2pdT2_dv
 ) const
 {
     scalar Vm = this->W()/rho;
-    return d2adT2(T)*log(b()+Vm)/b()-d2adT2(T)*log(Vm)/b();
+    return d2adT2(T)*log(b_ + Vm)/b_ - d2adT2(T)*log(Vm)/b_;
 }
 
 
 //Isobar expansion Coefficent beta = 1/v (dv/dt) at constant p
 //(molar values)
-inline scalar aungierRedlichKwong::isobarExpCoef(const scalar rho,const scalar T)  const
+inline scalar aungierRedlichKwong::isobarExpCoef
+(
+    const scalar rho,
+    const scalar T
+) const
 {
     return this->dvdT(rho, T)*rho/this->W();
 }
@@ -348,7 +397,11 @@ inline scalar aungierRedlichKwong::isobarExpCoef(const scalar rho,const scalar T
 
 //isothemal compressiblity kappa (not Thermal conductivity)
 //(molar values)
-inline scalar aungierRedlichKwong::isothermalCompressiblity(const scalar rho,const scalar T) const
+inline scalar aungierRedlichKwong::isothermalCompressiblity
+(
+    const scalar rho,
+    const scalar T
+) const
 {
     return this->isobarExpCoef(rho, T)/this->dpdT(rho, T);
     //also possible : return -this->dvdp(rho,T)*rho/this->W();
@@ -365,13 +418,13 @@ inline scalar aungierRedlichKwong::rho
 {
    scalar molarVolumePrevIteration;
    scalar molarVolume;
-   label iter=0;
+   label iter = 0;
-   label maxIter_=400;
+   label maxIter_ = 400;
-   scalar tol_=1e-8;
+   scalar tol_ = 1e-8;
-   scalar rho1=rhoMax_;
+   scalar rho1 = rhoMax_;
-   scalar rho2=rhoMin_;
+   scalar rho2 = rhoMin_;
 
-   molarVolume=this->W()/rho0;
+   molarVolume = this->W()/rho0;
 
    do
    {
@@ -380,24 +433,24 @@ inline scalar aungierRedlichKwong::rho
        label i=0;
        do
        {
+           //CL: modified Newton solver
            molarVolume=molarVolumePrevIteration
                -(
                    (this->p((this->W()/molarVolumePrevIteration),T) - p)
-                   /(this->dpdv((this->W()/molarVolumePrevIteration),T))
+                   /(this->dpdv((this->W()/molarVolumePrevIteration), T))
                )/pow(2,i);
 
            i++;
            if (i>8)
            {
                //CL: using bisection methode as backup,
-               //CL: solution must be between rho=0.001 to rho=1500;
+               //CL: solution must be between rhoMin_ to rhoMax
-               //CL: if not, change rhoMax_ and rhoMin_
                for(i=0; i<200; i++)
                {
-                   scalar f1 = this->p(rho1,T) - p;
+                   scalar f1 = this->p(rho1, T) - p;
-                   scalar f2 = this->p(rho2,T) - p;
+                   scalar f2 = this->p(rho2, T) - p;
                    scalar rho3 = (rho1 + rho2)/2;
-                   scalar f3 = this->p(rho3,T) - p;
+                   scalar f3 = this->p(rho3, T) - p;
 
                    if ((f2 < 0 && f3 > 0) || (f2 > 0 && f3 < 0))
                    {
@@ -427,15 +480,16 @@ inline scalar aungierRedlichKwong::rho
        }
        while
        (
-           mag(this->p((this->W()/molarVolume),T) - p)
+           mag(this->p((this->W()/molarVolume), T) - p)
-         > mag(this->p((this->W()/molarVolumePrevIteration),T) - p)
+         > mag(this->p((this->W()/molarVolumePrevIteration), T) - p)
        );
 
        if (iter++ > maxIter_)
        {
            FatalErrorIn
            (
-               "inline scalar aungierRedlichKwong::rho(const scalar p, const scalar T, const scalar rho0) const "
+               "inline scalar aungierRedlichKwong::rho"
+               "(const scalar p, const scalar T, const scalar rho0) const "
            )   << "Maximum number of iterations exceeded"
                << abort(FatalError);
        }
@@ -447,33 +501,43 @@ inline scalar aungierRedlichKwong::rho
 
 
 //- Return density [kg/m^3]
-inline scalar aungierRedlichKwong::rho(const scalar p,const scalar T) const
+inline scalar aungierRedlichKwong::rho(const scalar p, const scalar T) const
 {
-    //using perfect gas equation as starting point
+    //CL: using perfect gas equation as starting point
-    return rho(p,T,p/(this->R()*T));
+    return rho(p, T, p/(this->R()*T));
 }
 
 
 //- Return compressibility drho/dp at T=constant [s^2/m^2]
 inline scalar aungierRedlichKwong::psi(const scalar rho, const scalar T) const
 {
-    return -this->dvdp(rho,T)*pow(rho,2)/this->W();
+    return -this->dvdp(rho, T)*rho*rho/this->W();
 }
 
 
 //- Return compression factor []
-inline scalar aungierRedlichKwong::Z( const scalar p, const scalar T,const scalar rho0) const
+inline scalar aungierRedlichKwong::Z
+(
+    const scalar p,
+    const scalar T,
+    const scalar rho0
+) const
 {
-    return p/(this->R()*T*this->rho(p,T,rho0));
+    return p/(this->R()*T*this->rho(p, T, rho0));
 }
 
 
 // * * * * * * * * * * * * * * * Member Operators  * * * * * * * * * * * * * //
 
-
+inline void aungierRedlichKwong::operator+=(const aungierRedlichKwong& ark)
-inline void aungierRedlichKwong::operator+=(const aungierRedlichKwong& pr)
 {
-    specie::operator+=(pr);
+    specie::operator+=(ark);
+}
+
+
+inline void aungierRedlichKwong::operator*=(const scalar s)
+{
+    specie::operator*=(s);
 }
 
 
@@ -481,26 +545,28 @@ inline void aungierRedlichKwong::operator+=(const aungierRedlichKwong& pr)
 
 inline aungierRedlichKwong operator+
 (
-    const aungierRedlichKwong& pr1,
+    const aungierRedlichKwong& ark1,
-    const aungierRedlichKwong& pr2
+    const aungierRedlichKwong& ark2
 )
 {
     return aungierRedlichKwong
     (
-        static_cast<const specie&>(pr1)
+        static_cast<const specie&>(ark1)
-      + static_cast<const specie&>(pr2)
+      + static_cast<const specie&>(ark2)
     );
 }
 
+
 inline aungierRedlichKwong operator*
 (
     const scalar s,
-    const aungierRedlichKwong& pr
+    const aungierRedlichKwong& ark
 )
 {
-    return aungierRedlichKwong(s*static_cast<const specie&>(pr));
+    return aungierRedlichKwong(s*static_cast<const specie&>(ark));
 }
 
+
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
 } // End namespace Foam

src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/README

@@ -1,11 +0,0 @@
-CL: Real gas mixture classes using mixture models.
-CL: other models are possible
-
-
-CL: Mixtures based on a pseudo critical point approach
---> mixtureAungierRedlichKwong
-
-CL: Mixtures using the van der waals mixing rule
---> mixtureSoaveRedlichKwong
---> mixturePengRobinson
---> mixtureRedlichKwong

src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureAungierRedlichKwong/mixtureAungierRedlichKwong.C

@@ -1,87 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright held by original author
-     \\/     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
-
-Description
-    Mixture Aungier Redlich Kwong equation of state.
-
-Author
-Christian Lucas
-Institut für Thermodynamik
-Technische Universität Braunschweig
-Germany
-
-\*---------------------------------------------------------------------------*/
-
-#include "mixtureAungierRedlichKwong.H"
-#include "IOstreams.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-namespace Foam
-{
-
-// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
-
-mixtureAungierRedlichKwong::mixtureAungierRedlichKwong(Istream& is)
-:
-    aungierRedlichKwong(is),
-    Vcrit_(this->W()/rhocrit_),
-    Zcrit_(pcrit_/((this->R()*Tcrit_*rhocrit_)))
-{
-    is.check("mixtureAungierRedlichKwong::mixtureAungierRedlichKwong(Istream& is)");
-}
-//CL: Constructed needed in OpenFOAM 2.x.x
-//CL: Code works fine, but compiling problem in OpenFOAM 1.6.ext
-//CL:  because specie has no constructor using dict
-/*
-mixtureAungierRedlichKwong::mixtureAungierRedlichKwong(const dictionary& dict)
-:
-    aungierRedlichKwong(dict),
-    Vcrit_(this->W()/rhocrit_),
-    Zcrit_(pcrit_/((this->R()*Tcrit_*rhocrit_)))
-{}
-
-// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
-
-void Foam::mixtureAungierRedlichKwong::write(Ostream& os) const
-{
-    aungierRedlichKwong::write(os);
-}
-*/
-// * * * * * * * * * * * * * * * Ostream Operator  * * * * * * * * * * * * * //
-
-Ostream& operator<<(Ostream& os, const mixtureAungierRedlichKwong& ark)
-{
-    os  << static_cast<const specie&>(ark)<< token::SPACE;
-
-    os.check("Ostream& operator<<(Ostream& os, const mixtureAungierRedlichKwong& st)");
-    return os;
-}
-
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-} // End namespace Foam
-
-// ************************************************************************* //

src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureAungierRedlichKwong/mixtureAungierRedlichKwong.H

@@ -1,164 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright held by original author
-     \\/     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::mixtureAungierRedlichKwong
-
-Description
-    Mixture Aungier Redlich Kwong equation of state.
-
-    Mixture based on a pseudo critical point approach.
-
-    For further information, see:
-    BOOK Title: The Properties of Gases And Liquids, Fifth Edition, McGraw-Hill, Chapter 5
-    Authors: B. Poling; J. Prausnitz; J. O'Connell
-
-
-SourceFiles
-    mixtureAungierRedlichKwongI.H
-    mixtureAungierRedlichKwong.C
-
-Author
-Christian Lucas
-Institut für Thermodynamik
-Technische Universität Braunschweig
-Germany
-
-\*---------------------------------------------------------------------------*/
-
-#ifndef mixtureAungierRedlichKwong_H
-#define mixtureAungierRedlichKwong_H
-
-#include "specie.H"
-#include "aungierRedlichKwong.H"
-#include "autoPtr.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-namespace Foam
-{
-
-/*---------------------------------------------------------------------------*\
-                           Class mixtureAungierRedlichKwong Declaration
-\*---------------------------------------------------------------------------*/
-
-class mixtureAungierRedlichKwong
-:
-    public aungierRedlichKwong
-
-{
-
-protected:
-
-    // data at the critical point
-    scalar Zcrit_;
-
-    //CL. molar volume at the critical point
-    scalar Vcrit_;
-
-    //CL: save the concentrations of each component of the mixture
-    //CL: needs to be multiplied by this->W() to get the molar fractions
-    //mutable DynamicList<scalar> weigths;
-
-    //CL: saves a pointer to the pure component classes of the mixture
-   // mutable DynamicList<mixtureAungierRedlichKwong*> mixtureComponents;
-
-
-public:
-
-
-    // Constructors
-
-        //- Construct from components
-        inline mixtureAungierRedlichKwong
-        (
-            const aungierRedlichKwong& sp,
-            scalar Tcrit,
-            scalar azentricFactor,
-            scalar Vcrit,
-            scalar Zcrit,
-            scalar rhoMin,
-            scalar rhoMax
-        );
-
-        //- Construct from Istream
-        mixtureAungierRedlichKwong(Istream&);
-
-        //- Construct from dictionary
-        //mixtureAungierRedlichKwong(const dictionary& dict);
-
-        //- Construct as named copy
-        inline mixtureAungierRedlichKwong(const word& name, const mixtureAungierRedlichKwong&);
-
-        //- Construct and return a clone
-        inline autoPtr<mixtureAungierRedlichKwong> clone() const;
-
-        // Selector from Istream
-        inline static autoPtr<mixtureAungierRedlichKwong> New(Istream& is);
-
-   // Member functions
-
-        // I-O
-
-            //- Write to Ostream
-            //void write(Ostream& os) const;
-
-
-  // Member operators
-
-        inline void operator+=(const mixtureAungierRedlichKwong&);
-
-  // Friend operators
-
-        inline friend mixtureAungierRedlichKwong operator+
-        (
-            const mixtureAungierRedlichKwong&,
-            const mixtureAungierRedlichKwong&
-        );
-
-        inline friend mixtureAungierRedlichKwong operator*
-        (
-            const scalar s,
-            const mixtureAungierRedlichKwong&
-        );
-
-    // Ostream Operator
-
-        friend Ostream& operator<<(Ostream&, const mixtureAungierRedlichKwong&);
-};
-
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-} // End namespace Foam
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-#include "mixtureAungierRedlichKwongI.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-#endif
-
-// ************************************************************************* //

src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureAungierRedlichKwong/mixtureAungierRedlichKwongI.H

@@ -1,212 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright held by original author
-     \\/     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
-
-Author
-Christian Lucas
-Institut für Thermodynamik
-Technische Universität Braunschweig
-Germany
-
-\*---------------------------------------------------------------------------*/
-
-#include "mixtureAungierRedlichKwong.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-namespace Foam
-{
-
-// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
-
-// Construct from components
-inline mixtureAungierRedlichKwong::mixtureAungierRedlichKwong
-(
-    const aungierRedlichKwong& sp,
-    scalar Tcrit,
-    scalar azentricFactor,
-    scalar Vcrit,
-    scalar Zcrit,
-    scalar rhoMin,
-    scalar rhoMax
-)
-:
-    aungierRedlichKwong(sp),
-    Vcrit_(Vcrit),
-    Zcrit_(Zcrit)
-{
-    //CL: Saving critical data
-    Tcrit_=Tcrit;
-    pcrit_=Zcrit*this->RR*Tcrit/Vcrit;
-    rhocrit_=this->W()/Vcrit_;
-    azentricFactor_=azentricFactor;
-
-    //CL: calculating the aungier redlich kwong coefficience
-    a0_=0.42747*pow(this->RR,2)*pow(Tcrit_,2)/pcrit_;
-    b_=0.08664*this->RR*Tcrit_/pcrit_;
-    c_=this->RR*Tcrit_/(pcrit_+(a0_/(this->W()/rhocrit_*(this->W()/rhocrit_+b_))))+b_-this->W()/rhocrit_;
-    n_=0.4986+1.2735*azentricFactor_+0.4754*pow(azentricFactor_,2);
-
-    //CL: set rhoMax and rhoMin
-    rhoMin_=rhoMin;
-    rhoMax_=rhoMax;
-
-    //CL:
-    b2_=pow(b_,2);
-    b3_=pow(b_,3);
-    b4_=pow(b_,4);
-    b5_=pow(b_,5);
-    c2_=pow(c_,2);
-
-    //CL: Starting GUESS for the density by ideal gas law
-    rhostd_=this->rho(Pstd,Tstd,Pstd/(Tstd*this->R()));
-}
-
-
-
-
-// Construct as named copy
-inline mixtureAungierRedlichKwong::mixtureAungierRedlichKwong(const word& name, const mixtureAungierRedlichKwong& pg)
-:
-    aungierRedlichKwong(name, pg),
-    Vcrit_(pg.Vcrit_),
-    Zcrit_(pg.Zcrit_)
-{}
-
-
-
-// Construct and return a clone
-inline autoPtr<mixtureAungierRedlichKwong> mixtureAungierRedlichKwong::clone() const
-{
-    return autoPtr<mixtureAungierRedlichKwong>(new mixtureAungierRedlichKwong(*this));
-}
-
-
-// Selector from Istream
-inline autoPtr<mixtureAungierRedlichKwong> mixtureAungierRedlichKwong::New(Istream& is)
-{
-    return autoPtr<mixtureAungierRedlichKwong>(new mixtureAungierRedlichKwong(is));
-}
-
-
-
-// * * * * * * * * * * * * * * * Member Operators  * * * * * * * * * * * * * //
-
-
-inline void mixtureAungierRedlichKwong::operator+=(const mixtureAungierRedlichKwong& pr)
-{
-    scalar molr1 = this->nMoles();
-
-    aungierRedlichKwong::operator+=(pr);
-
-    molr1 /= this->nMoles();
-    scalar molr2 = pr.nMoles()/this->nMoles();
-
-    //CL: calculating new critical point data
-    Tcrit_=molr1*Tcrit_+molr2*pr.Tcrit_;
-    Zcrit_=molr1*Zcrit_+molr2*pr.Zcrit_;
-    Vcrit_=molr1*Vcrit_+molr2*pr.Vcrit_;
-    pcrit_=Zcrit_*this->RR*Tcrit_/Vcrit_;
-    rhocrit_=this->W()/Vcrit_;
-
-    //CL: calculating new azentric factor
-    azentricFactor_=molr1*azentricFactor_+molr2*pr.azentricFactor_;
-
-    //CL: set rhoMax and rhoMin
-    rhoMin_=min(rhoMin_, pr.rhoMin_);
-    rhoMax_=max(rhoMax_, pr.rhoMax_);
-
-    //CL: calculating the aungier redlich kwong coefficience
-    a0_=0.42747*pow(this->RR,2)*pow(Tcrit_,2)/pcrit_;
-    b_=0.08664*this->RR*Tcrit_/pcrit_;
-    c_=this->RR*Tcrit_/(pcrit_+(a0_/(this->W()/rhocrit_*(this->W()/rhocrit_+b_))))+b_-this->W()/rhocrit_;
-    n_=0.4986+1.2735*azentricFactor_+0.4754*pow(azentricFactor_,2);
-
-    //CL:
-    b2_=pow(b_,2);
-    b3_=pow(b_,3);
-    b4_=pow(b_,4);
-    b5_=pow(b_,5);
-    c2_=pow(c_,2);
-
-    //CL: Starting GUESS for the density by ideal gas law
-    rhostd_=this->rho(Pstd,Tstd,Pstd/(Tstd*this->R()));
-}
-
-
-// * * * * * * * * * * * * * * * Friend Operators  * * * * * * * * * * * * * //
-
-inline mixtureAungierRedlichKwong operator+
-(
-    const mixtureAungierRedlichKwong& pr1,
-    const mixtureAungierRedlichKwong& pr2
-)
-{
-
-    aungierRedlichKwong ark
-    (
-        static_cast<const aungierRedlichKwong&>(pr1)
-       +static_cast<const aungierRedlichKwong&>(pr2)
-    );
-
-    return mixtureAungierRedlichKwong
-           (
-               ark,
-               pr1.nMoles()/ark.nMoles()*pr1.Tcrit_
-              +pr2.nMoles()/ark.nMoles()*pr2.Tcrit_,
-               pr1.nMoles()/ark.nMoles()*pr1.azentricFactor_
-              +pr2.nMoles()/ark.nMoles()*pr2.azentricFactor_,
-               pr1.nMoles()/ark.nMoles()*pr1.Vcrit_
-              +pr2.nMoles()/ark.nMoles()*pr2.Vcrit_,
-               pr1.nMoles()/ark.nMoles()*pr1.Zcrit_
-              +pr2.nMoles()/ark.nMoles()*pr2.Zcrit_,
-               min(pr1.rhoMin_,pr2.rhoMin_),
-               max(pr1.rhoMax_,pr2.rhoMax_)
-           );
-}
-
-
-inline mixtureAungierRedlichKwong operator*
-(
-    const scalar s,
-    const mixtureAungierRedlichKwong& pr
-)
-{
-    return mixtureAungierRedlichKwong
-           (
-               s*static_cast<const aungierRedlichKwong&>(pr),
-               pr.Tcrit_,
-               pr.azentricFactor_,
-               pr.Vcrit_,
-               pr.Zcrit_,
-               pr.rhoMin_,
-               pr.rhoMax_
-           );
-}
-
-
-
-
-} // End namespace Foam
-
-// ************************************************************************* //

src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixturePengRobinson/mixturePengRobinson.C

@@ -1,157 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright held by original author
-     \\/     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
-
-Description
-    Peng Robionson equation of state for mixtures.
-
-Author
-Christian Lucas
-Institut für Thermodynamik
-Technische Universität Braunschweig
-Germany
-
-\*---------------------------------------------------------------------------*/
-
-#include "mixturePengRobinson.H"
-#include "IOstreams.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-namespace Foam
-{
-
-// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
-
-mixturePengRobinson::mixturePengRobinson(Istream& is)
-:
-    pengRobinson(is),
-    singleComponent(1),
-    numOfComp(1),
-    //CL: no real gas mixture correction when stream constructor is used
-    realMixtureCorr_(false)
-{
-    //CL: set size of weigths, mixtureComponents ... to 10,
-    //CL: when more mixture components are used
-    //CL: size of the DynamicLis increases automatically
-    weigths.setSize(10);
-    mixtureComponents.setSize(10);
-
-    //Save a pointer of this object in the mixtureComponents array
-    mixtureComponents[0]=this;
-
-    is.check("mixturePengRobinson::mixturePengRobinson(Istream& is)");
-}
-//CL: Constructed needed in OpenFOAM 2.x.x
-//CL: Code works fine, but compiling problem in OpenFOAM 1.6.ext
-//CL:  because specie has no constructor using dict
-/*
-mixturePengRobinson::mixturePengRobinson(const dictionary& dict)
-:
-    pengRobinson(dict),
-    numOfComp(1),
-    singleComponent(1),
-    realMixtureCorr_(dict.subDict("equationOfState").lookupOrDefault("realMixtureCorrection",false))
-{
-    //CL: set size of weigths, mixtureComponents ... to 10,
-    //CL: when more mixture components are used
-    //CL: size of the DynamicLis increases automatically
-    weigths.setSize(10);
-    mixtureComponents.setSize(10);
-
-    //Save a pointer of this object in the mixtureComponents array
-    mixtureComponents[0]=this;
-
-    if(realMixtureCorr_==true)
-    {
-        //CL: reads number of mixture components
-        //CL: this number is needed to calculate the number of correction coefficients
-        nCom_=dict.subDict("equationOfState").lookupOrDefault("numberOfComponents",1);
-
-            if (nCom_<1||nCom_==1)
-            {
-                FatalErrorIn
-                (
-                    "mixturePengRobinson::mixturePengRobinson(const dictionary& dict)"
-                )   << "mixture has only one component or number is not defined correctly, "
-                    << "recheck numberOfComponents in the  thermophysicalProperties dict of your case"
-                    << abort(FatalError);
-            }
-
-        label i;
-        label j;
-        label k=0;
-
-        // CL: saves the number of mixtureCorrectionCoefficients needed for this mixture
-        // CL: need to be set to 1
-        label sizeOfVector_=1;
-
-        //CL: size of the vector depends on the number of components
-        //CL: determine the size of the vector
-        for (i=3; i<=nCom_;i++)
-        {
-            sizeOfVector_=sizeOfVector_+(i-1);
-        }
-
-        //CL: setting the size
-        realMixtureCorrCoef_.setSize(sizeOfVector_);
-
-        //CL: Reading the real mixture correction coefficients
-        //CL: Naming convention e.g for 3 component mixture:
-        //CL: mixtureCorrectionCoefficient_12, mixtureCorrectionCoefficient_13, mixtureCorrectionCoefficient_23
-        for(i=1;i<=nCom_-1;i++)
-        {
-            for(j=i+1;j<=nCom_;j++)
-            {
-                realMixtureCorrCoef_[k]=dict.subDict("equationOfState")
-                    .lookupOrDefault("mixtureCorrectionCoefficient_" + Foam::name(i) + Foam::name(j),0.0);
-                k++;
-            }
-        }
-    }
-}
-
-// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
-
-void Foam::mixturePengRobinson::write(Ostream& os) const
-{
-    pengRobinson::write(os);
-
-}
-*/
-// * * * * * * * * * * * * * * * Ostream Operator  * * * * * * * * * * * * * //
-
-Ostream& operator<<(Ostream& os, const mixturePengRobinson& pr)
-{
-    os  << static_cast<const pengRobinson&>(pr)<< token::SPACE ;
-
-    os.check("Ostream& operator<<(Ostream& os, const mixturePengRobinson& st)");
-    return os;
-}
-
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-} // End namespace Foam
-
-// ************************************************************************* //

src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixturePengRobinson/mixturePengRobinson.H

@@ -1,274 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright held by original author
-     \\/     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::mixturePengRobinson
-
-Description
-    Peng Robinson equation of state for multiple component mixtures using the van der Waals mixing rule
-
-    Mixing Rule --> see Paper
-
-    Title: Van der waals mixing rules for cublic equations of state. Applications for supercritical fluids extraction modelling
-    Authors: T.Y. Kwak and G.A. Mansoori
-    Journal: Chemical Engineering Science, Vol 41, No. 5, pp. 1303-1309, 1986
-
-SourceFiles
-    mixturePengRobinsonI.H
-    mixturePengRobinson.C
-
-Author
-Christian Lucas
-Institut für Thermodynamik
-Technische Universität Braunschweig
-Germany
-
-\*---------------------------------------------------------------------------*/
-
-#ifndef mixturePengRobinson_H
-#define mixturePengRobinson_H
-
-#include "specie.H"
-#include "autoPtr.H"
-#include "pengRobinson.H"
-#include "scalarList.H"
-#include "DynamicList.H"
-#include "label.H"
-#include "List.H"
-#include "dictionary.H"
-#include "scalar.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-namespace Foam
-{
-
-/*---------------------------------------------------------------------------*\
-                           Class mixturePengRobinson Declaration
-\*---------------------------------------------------------------------------*/
-
-class mixturePengRobinson
-:
-    public pengRobinson
-{
-
-protected:
-
-    //CL: bool used to make sure the model behaves like a single component model when needed
-    //CL: this is needed during the construction of the mixture
-    mutable bool singleComponent;
-
-    //CL: save the concentrations of each component of the mixture
-    //CL: needs to be multiplied by this->W() to get the molar fractions
-    mutable DynamicList<scalar> weigths;
-
-    //CL: saves a pointer to the pure component classes of the mixture
-    mutable DynamicList<mixturePengRobinson*> mixtureComponents;
-
-    //CL: counts the number of components
-    mutable label numOfComp;
-
-    //Protected functions
-
-    //CL: function updates the coefficients (aSave, daSave, d2aSave, b) of the mixture
-    //CL: this is the function with the mixing rule
-    inline void updateModelCoefficients(const  scalar T) const;
-
-    //CL: Variables used in real gas mixture correction
-
-        //CL: If true, the real gas mixture correction is used
-        mutable bool  realMixtureCorr_;
-
-        //CL: number of mixture components, needed to calculate the mixture correction factors needed
-        //CL: do not mistake this variable with numOfComp,
-        //CL: numOfComp is a counter to counts the number of components while the mixture is constructed
-        mutable label nCom_;
-
-        //CL: stores real mixture correction coefficients
-        mutable DynamicList<scalar> realMixtureCorrCoef_;
-
-
-public:
-
-    // Constructors
-
-        //- Construct from components
-        //CL: needed for operator*
-        inline mixturePengRobinson
-        (
-            const pengRobinson& pr,
-            label numOfComp,
-            DynamicList<scalar> weigths,
-            DynamicList<mixturePengRobinson*> mixtureComponents,
-            scalar a0,
-            scalar b,
-            scalar Tcrit,
-            scalar n,
-            scalar rhostd,
-            scalar rhoMin,
-            scalar rhoMax
-        );
-
-        //- Construct from components
-        //CL: needed for operator+
-        inline mixturePengRobinson
-        (
-            const pengRobinson& pr,
-            label numOfComp,
-            DynamicList<scalar> weigths,
-            DynamicList<mixturePengRobinson*> mixtureComponents,
-            scalar rhoMin,
-            scalar rhoMax
-        );
-
-        //- Construct from Istream
-        mixturePengRobinson(Istream&);
-
-        //- Construct from dictionary
-        //mixturePengRobinson(const dictionary& dict);
-
-        //- Construct as named copy
-        inline mixturePengRobinson(const word& name, const mixturePengRobinson&);
-
-        //- Construct and return a clone
-        inline autoPtr<mixturePengRobinson> clone() const;
-
-        // Selector from Istream
-        inline static autoPtr<mixturePengRobinson> New(Istream& is);
-
-   // Member functions
-
-        //CL: mixture coefficience
-        inline scalar amix(const scalar T, const label i, const  label j) const;
-
-        inline scalar dadTmix(const scalar T, const label i, const  label j) const;
-
-        inline scalar d2adT2mix(const scalar T, const label i, const  label j) const;
-
-        inline scalar p(const scalar rho, const scalar T) const;
-
-        //first order derivatives
-        inline scalar dpdv(const scalar rho, const  scalar T) const;
-
-        inline scalar dpdT(const scalar rho, const scalar T) const;
-
-        inline scalar dvdT(const scalar rho, const  scalar T) const;
-
-        inline scalar dvdp(const scalar rho, const scalar T) const;
-
-        inline scalar isobarExpCoef(const scalar rho, const  scalar T) const;
-
-        inline scalar isothermalCompressiblity
-        (
-            const scalar rho,
-            const scalar T
-        ) const;
-
-        // Used for cv
-        inline scalar integral_d2pdT2_dv
-        (
-            const scalar rho,
-            const scalar T
-        ) const;
-
-        //Used for internal Energy
-        inline scalar integral_p_dv(const scalar rho, const scalar T) const;
-
-        // Used for Entropy
-        inline scalar integral_dpdT_dv(const scalar rho, const scalar T) const;
-
-        // second order derivatives, not Used At The Moment
-        inline scalar d2pdv2(const scalar rho, const scalar T) const;
-
-        inline scalar d2pdT2(const scalar rho, const scalar T) const;
-
-        inline scalar d2pdvdT(const scalar rho, const scalar T) const;
-
-        inline scalar d2vdT2(const scalar rho, const  scalar T) const;
-
-        //- Return density [kg/m^3]
-        // rho0 is the starting point of the newton solver used to calculate rho
-        inline scalar rho
-        (
-            const scalar p,
-            const scalar T,
-            const scalar rho0
-        ) const;
-
-        inline scalar rho(const scalar p, const scalar T) const;
-
-        //- Return compressibility drho/dp at T=constant [s^2/m^2]
-        inline scalar psi(const scalar rho, const scalar T) const;
-
-        //- Return compression factor []
-        inline scalar Z
-        (
-            const scalar p,
-            const scalar T,
-            const scalar rho0
-        ) const;
-
-        // I-O
-
-            //- Write to Ostream
-            //void write(Ostream& os) const;
-
-  // Member operators
-
-        inline void operator+=(const mixturePengRobinson&);
-
-  // Friend operators
-
-        inline friend mixturePengRobinson operator+
-        (
-            const mixturePengRobinson&,
-            const mixturePengRobinson&
-        );
-
-        inline friend mixturePengRobinson operator*
-        (
-            const scalar s,
-            const mixturePengRobinson&
-        );
-
-
-    // Ostream Operator
-
-        friend Ostream& operator<<(Ostream&, const mixturePengRobinson&);
-};
-
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-} // End namespace Foam
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-#include "mixturePengRobinsonI.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-#endif
-
-// ************************************************************************* //

src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixturePengRobinson/mixturePengRobinsonI.H

@@ -1,497 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright held by original author
-     \\/     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
-
-Author
-Christian Lucas
-Institut für Thermodynamik
-Technische Universität Braunschweig
-Germany
-
-\*---------------------------------------------------------------------------*/
-
-#include "mixturePengRobinson.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-namespace Foam
-{
-
-// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
-
-// Construct from components
-// CL: needed for operator*
-inline mixturePengRobinson::mixturePengRobinson
-(
-    const pengRobinson& pr,
-    label numOfComp,
-    DynamicList<scalar> weigths,
-    DynamicList<mixturePengRobinson*> mixtureComponents,
-    scalar a0,
-    scalar b,
-    scalar Tcrit,
-    scalar n,
-    scalar rhostd,
-    scalar rhoMin,
-    scalar rhoMax
-)
-:
-    pengRobinson(pr),
-    singleComponent(1),
-    weigths(weigths),
-    mixtureComponents(mixtureComponents),
-    numOfComp(numOfComp)
-{
-    a0_=a0;
-    b_=b;
-    Tcrit_=Tcrit;
-    n_=n;
-    rhostd_=rhostd;
-    rhoMin_=rhoMin;
-    rhoMax_=rhoMax;
-}
-
-// Construct from components
-// CL: needed for operator+
-inline mixturePengRobinson::mixturePengRobinson
-(
-    const pengRobinson& pr,
-    label numOfComp,
-    DynamicList<scalar> weigths,
-    DynamicList<mixturePengRobinson*> mixtureComponents,
-    scalar rhoMin,
-    scalar rhoMax
-)
-:
-    pengRobinson(pr),
-    singleComponent(0),
-    weigths(weigths),
-    mixtureComponents(mixtureComponents),
-    numOfComp(numOfComp)
-{
-    TSave=0.0;
-    rhoMin_=rhoMin;
-    rhoMax_=rhoMax;
-    rhostd_=this->rho(this->Pstd(), this->Tstd(), this->Pstd()*this->W()/(this->Tstd()*this->R()));
-}
-
-
-// Construct as named copy
-inline mixturePengRobinson::mixturePengRobinson(const word& name, const mixturePengRobinson& pr)
-:
-    pengRobinson(name, pr)
-{}
-
-
-// Construct and return a clone
-inline autoPtr<mixturePengRobinson> mixturePengRobinson::clone() const
-{
-    return autoPtr<mixturePengRobinson>(new mixturePengRobinson(*this));
-}
-
-
-// Selector from Istream
-inline autoPtr<mixturePengRobinson> mixturePengRobinson::New(Istream& is)
-{
-    return autoPtr<mixturePengRobinson>(new mixturePengRobinson(is));
-}
-// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
-
-//CL: updates the coefficents of the model after the construction of the mixture
-//CL: uses the van der waals mixing rule
-inline void mixturePengRobinson::updateModelCoefficients(const  scalar T) const
-{
-    // CL: to make sure that the coefficents are only updated if the mixture has more than 1 component
-    if (singleComponent==0)
-    {
-        // Checking if the mixture coefficient were already calculated for this temperature
-        if(TSave!=T)
-        {
-            label i,j,k;
-
-            aSave=0;
-            daSave=0;
-            d2aSave=0;
-            b_=0;
-
-            for (i=0;i<numOfComp;i++)
-            {
-                //CL: getting a(T), dadT(T) and d2adT2(T) for the mixture
-                //CL: using van der waals mixing rule
-                for (j=0;j<numOfComp;j++)
-                {
-
-                    //CL: use mixture correction cofficients k_ij (see paper reference)
-                    if(mixtureComponents[0]->realMixtureCorr_==true)
-                    {
-                        // first and second order temperature derivative of the van der waals mixing rule for a(T)
-                        if(i==j)
-                        {
-                            aSave=aSave+amix(T,i,j);
-                            daSave=daSave+dadTmix(T,i,j);
-                            d2aSave=d2aSave+d2adT2mix(T,i,j);
-                        }
-                        else
-                        {
-                            //CL: gives the position of the correction factor in the vector realMixtureCorrCoef_
-                            k=i+j-1;
-
-                            aSave=aSave+amix(T,i,j)*(1-mixtureComponents[0]->realMixtureCorrCoef_[k]);
-                            daSave=daSave+dadTmix(T,i,j)*(1-mixtureComponents[0]->realMixtureCorrCoef_[k]);
-                            d2aSave=d2aSave+d2adT2mix(T,i,j)*(1-mixtureComponents[0]->realMixtureCorrCoef_[k]);
-                        }
-
-                    }
-                    else
-                    {
-                        aSave=aSave+amix(T,i,j);
-                        daSave=daSave+dadTmix(T,i,j);
-                        d2aSave=d2aSave+d2adT2mix(T,i,j);
-                    }
-                }
-
-                //CL: getting b for the mixture
-                //CL: using van der waals mixing rule
-                b_=b_+weigths[i]*mixtureComponents[i]->b()*this->W();
-
-                //CL: saving the temperature at which the mixture coefficients are valid
-                TSave=T;
-            }
-
-            b2_=b_*b_;
-            b3_=pow(b_,3);
-            b4_=pow(b_,4);
-            b5_=pow(b_,5);
-        }
-    }
-}
-
-//CL: returns part of  "a" for the mixture
-//CL: Important: a is a function of T
-//CL: TODO: RECHECK
-inline scalar mixturePengRobinson::amix(const scalar T, const label i, const label j) const
-{
-
-    return weigths[i]*weigths[j]*this->W()*this->W()*
-               pow(mixtureComponents[i]->a(T)*mixtureComponents[j]->a(T),0.5);
-}
-
-//CL: returns part of the first derivative of "a" for the mixture
-//CL: Important: a is a function of T
-//CL: TODO: RECHECK
-inline scalar mixturePengRobinson::dadTmix(const scalar T, const label i, const label j) const
-{
-
-    return 0.5*weigths[i]*weigths[j]*this->W()*this->W()
-               *(pow(mixtureComponents[i]->a(T)/mixtureComponents[j]->a(T),0.5)*mixtureComponents[j]->dadT(T)
-                   +pow(mixtureComponents[j]->a(T)/mixtureComponents[i]->a(T),0.5)*mixtureComponents[i]->dadT(T));
-}
-
-//CL: returns part of the second derivative of "a" for the mixture
-//CL: Important: a is a function of T
-//CL: TODO: RECHECK
-inline scalar mixturePengRobinson::d2adT2mix(const scalar T, const label i, const label j) const
-{
-
-    return  0.5*weigths[i]*weigths[j]*this->W()*this->W()*
-            (
-                pow(mixtureComponents[i]->a(T)/mixtureComponents[j]->a(T),0.5)*mixtureComponents[j]->d2adT2(T)
-                    +pow(mixtureComponents[j]->a(T)/mixtureComponents[i]->a(T),0.5)*mixtureComponents[i]->d2adT2(T)
-                        +pow(mixtureComponents[i]->a(T)*mixtureComponents[j]->a(T),-0.5)
-                            *mixtureComponents[i]->dadT(T)*mixtureComponents[j]->dadT(T)
-                                -0.5*pow(mixtureComponents[i]->a(T)/mixtureComponents[j]->a(T),0.5)*1/mixtureComponents[j]->a(T)
-                                    *pow(mixtureComponents[j]->dadT(T),2)
-                                        -0.5*pow(mixtureComponents[j]->a(T)/mixtureComponents[i]->a(T),0.5)
-                                            *1/mixtureComponents[i]->a(T)*pow(mixtureComponents[i]->dadT(T),2)
-            );
-}
-
-
-
-
-//returns the pressure for a given density and temperature
-inline scalar mixturePengRobinson::p(const scalar rho, const scalar T) const
-{
-    updateModelCoefficients(T);
-    return pengRobinson::p(rho,T);
-}
-
-
-//Real deviative dp/dv at constant temperature
-//(molar values)
-inline scalar mixturePengRobinson::dpdv(const scalar rho, const scalar T) const
-{
-    updateModelCoefficients(T);
-    return pengRobinson::dpdv(rho,T);
-}
-
-
-//Real deviative dp/dT at constant molar volume
-//(molar values)
-inline scalar mixturePengRobinson::dpdT(const scalar rho, const scalar T) const
-{
-    updateModelCoefficients(T);
-    return pengRobinson::dpdT(rho,T);
-}
-
-
-//Real  deviative dv/dT at constant pressure
-//(molar values)
-inline scalar mixturePengRobinson::dvdT(const scalar rho, const scalar T) const
-{
-    updateModelCoefficients(T);
-    return pengRobinson::dvdT(rho,T);
-}
-
-
-//Real  deviative dv/dp at constant temperature
-//(molar values)
-inline scalar mixturePengRobinson::dvdp(const scalar rho, const scalar T)  const
-{
-    updateModelCoefficients(T);
-    return pengRobinson::dvdp(rho,T);
-}
-
-
-//needed to calculate the internal energy
-//(molar values)
-inline scalar mixturePengRobinson::integral_p_dv
-(
-    const scalar rho,
-    const scalar T
-) const
-{
-    updateModelCoefficients(T);
-    return pengRobinson::integral_p_dv(rho,T);
-}
-
-
-//needed to calculate the entropy
-//(molar values)
-inline scalar mixturePengRobinson::integral_dpdT_dv
-(
-    const scalar rho,
-    const scalar T
-) const
-{
-    updateModelCoefficients(T);
-    return pengRobinson::integral_dpdT_dv(rho,T);
-}
-
-
-//(molar values)
-inline scalar mixturePengRobinson::d2pdT2(const scalar rho, const scalar T) const
-{
-    updateModelCoefficients(T);
-    return pengRobinson::d2pdT2(rho,T);
-}
-
-
-//(molar values)
-inline scalar mixturePengRobinson::d2pdv2(const scalar rho, const scalar T) const
-{
-    updateModelCoefficients(T);
-    return pengRobinson::d2pdv2(rho,T);
-}
-
-
-//(molar values)
-inline scalar mixturePengRobinson::d2vdT2(const scalar rho, const scalar T) const
-{
-    updateModelCoefficients(T);
-    return pengRobinson::d2vdT2(rho,T);
-}
-
-
-//(molar values)
-inline scalar mixturePengRobinson::d2pdvdT(const scalar rho, const scalar T) const
-{
-    updateModelCoefficients(T);
-    return pengRobinson::d2pdvdT(rho,T);
-}
-
-
-// the result of this intergal is needed for the nasa based cp polynomial
-//(molar values)
-inline scalar mixturePengRobinson::integral_d2pdT2_dv
-(
-    const scalar rho,
-    const scalar T
-)  const
-{
-    updateModelCoefficients(T);
-    return pengRobinson::integral_d2pdT2_dv(rho,T);
-}
-
-
-//Isobar expansion Coefficent beta = 1/v (dv/dt) at constant p
-//(molar values)
-inline scalar mixturePengRobinson::isobarExpCoef
-(
-    const scalar rho,
-    const scalar T
-) const
-{
-    updateModelCoefficients(T);
-    return pengRobinson::isobarExpCoef(rho,T);
-}
-
-
-//isothemal compressiblity kappa (not Thermal conductivity)
-//(molar values)
-inline scalar mixturePengRobinson::isothermalCompressiblity
-(
-    const scalar rho,
-    const scalar T
-) const
-{
-    updateModelCoefficients(T);
-    return pengRobinson::isothermalCompressiblity(rho,T);
-}
-
-
-//- Return density [kg/m^3]on
-inline scalar mixturePengRobinson::rho
-(
-    const scalar p,
-    const scalar T,
-    const scalar rho0
-) const
-{
-    updateModelCoefficients(T);
-    return pengRobinson::rho(p,T,rho0);
-}
-
-
-//- Return density [kg/m^3]on
-inline scalar mixturePengRobinson::rho(const scalar p, const scalar T) const
-{
-    updateModelCoefficients(T);
-    return pengRobinson::rho(p,T);
-}
-
-
-//- Return compressibility drho/dp at T=constant [s^2/m^2]
-inline scalar mixturePengRobinson::psi(const scalar rho, const scalar T) const
-{
-    this->updateModelCoefficients(T);
-    return pengRobinson::psi(rho,T);
-}
-
-
-//- Return compression factor []
-inline scalar mixturePengRobinson::Z
-(
-    const scalar p,
-    const scalar T,
-    const scalar rho0
-) const
-{
-    updateModelCoefficients(T);
-    return pengRobinson::Z(p,T,rho0);
-}
-
-// * * * * * * * * * * * * * * * Member Operators  * * * * * * * * * * * * * //
-
-
-inline void mixturePengRobinson::operator+=(const mixturePengRobinson& pr)
-{
-    //CL: Resizes the DynamicList if number of compontens is larger than the DynamicList
-    if((weigths.size()<numOfComp+1)||(mixtureComponents.size()<numOfComp+1))
-    {
-        weigths.setSize(2*numOfComp);
-        mixtureComponents.setSize(2*numOfComp);
-    }
-
-    //Cl: oldClass+=pr
-    //CL: Saving the object pointer and weigths of pr (which is @ mixtureComponents[0] and weigths[0]) at the numOfComp's value of the oldClass
-    weigths[numOfComp]=pr.weigths[0];
-    mixtureComponents[numOfComp]=pr.mixtureComponents[0];
-
-    pengRobinson::operator+=(pr);
-
-    //CL: increase number of Components by 1
-    numOfComp=numOfComp+1;
-
-    //CL: setting TSave=0--> results that all coefficients (a, da, d2a) are calculated in updateModelCoefficients
-    TSave=0.0;
-    singleComponent=0;
-
-    //CL:setting rho boundaries
-    rhoMin_=min(rhoMin_,pr.rhoMin_);
-    rhoMax_=max(rhoMax_,pr.rhoMax_);
-
-    //CL: calculating rho @ std
-    rhostd_=this->rho(this->Pstd(), this->Tstd(), this->Pstd()*this->W()/(this->Tstd()*this->R()));
-}
-
-
-// * * * * * * * * * * * * * * * Friend Operators  * * * * * * * * * * * * * //
-
-inline mixturePengRobinson operator+
-(
-    const mixturePengRobinson& pr1,
-    const mixturePengRobinson& pr2
-)
-{
-    //CL:save both a pointer to the objector pr1 and pr2 and the weights in the new object
-    DynamicList<scalar> weigths=pr1.weigths;
-    DynamicList<mixturePengRobinson*> mixtureComponents=pr1.mixtureComponents;
-
-    //CL: Resizes the DynamicList if number of compontens is larger than the DynamicList
-    if((weigths.size()<pr1.numOfComp+1)||(mixtureComponents.size()<pr1.numOfComp+1))
-    {
-        weigths.setSize(2*pr1.numOfComp);
-        mixtureComponents.setSize(2*pr1.numOfComp);
-    }
-
-    //CL: Getting the new weigths and mixtureComponents lists,
-    //CL: Saving the object pointer and weigths of pr2 (which is @ mixtureComponents[0] and weigths[0]) at the numOfComp's value of the new object
-    weigths[pr1.numOfComp]=pr2.weigths[0];
-    mixtureComponents[pr1.numOfComp]=pr2.mixtureComponents[0];
-
-    return mixturePengRobinson(static_cast<const pengRobinson&>(pr1)+static_cast<const pengRobinson&>(pr2),
-        pr1.numOfComp+1, weigths, mixtureComponents, min(pr1.rhoMin_,pr2.rhoMin_), max(pr1.rhoMax_,pr2.rhoMax_));
-}
-
-
-inline mixturePengRobinson operator*
-(
-    const scalar s,
-    const mixturePengRobinson& pr
-)
-{
-    //CL: saving the "concentraction" of the component of the mixture in the vector weights
-    //CL: saved at the Position "numOfComp-1"
-    DynamicList<scalar> weigths=pr.weigths;
-    weigths[pr.numOfComp-1]=s*pr.nMoles();
-
-   return mixturePengRobinson(s*static_cast<const pengRobinson&>(pr), pr.numOfComp, weigths,
-       pr.mixtureComponents,pr.a0_,pr.b_,pr.Tcrit_,pr.n_,pr.rhostd_, pr.rhoMin_, pr.rhoMax_);
-}
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-} // End namespace Foam
-
-// ************************************************************************* //

src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureRedlichKwong/mixtureRedlichKwong.C

@@ -1,154 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright held by original author
-     \\/     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
-
-Description
-    Redlich Kwong equation of state for mixtures.
-
-Author
-Christian Lucas
-Institut für Thermodynamik
-Technische Universität Braunschweig
-Germany
-
-\*---------------------------------------------------------------------------*/
-
-#include "mixtureRedlichKwong.H"
-#include "IOstreams.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-namespace Foam
-{
-
-// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
-
-mixtureRedlichKwong::mixtureRedlichKwong(Istream& is)
-:
-    redlichKwong(is),
-    numOfComp(1),
-    //CL: no real gas mixture correction when stream constructor is used
-    realMixtureCorr_(false)
-{
-    //CL: set size of weigths and mixtureComponents to 10
-    //CL: when more mixture components are used
-    //CL: size of the DynamicLis increases automatically
-    weigths.setSize(10);
-    mixtureComponents.setSize(10);
-
-    //Save a pointer of this object in the mixtureComponents array
-    mixtureComponents[0]=this;
-    is.check("mixtureRedlichKwong::mixtureRedlichKwong(Istream& is)");
-}
-//CL: Constructed needed in OpenFOAM 2.x.x
-//CL: Code works fine, but compiling problem in OpenFOAM 1.6.ext
-//CL:  because specie has no constructor using dict
-/*
-mixtureRedlichKwong::mixtureRedlichKwong(const dictionary& dict)
-:
-    redlichKwong(dict),
-    numOfComp(1),
-    realMixtureCorr_(dict.subDict("equationOfState").lookupOrDefault("realMixtureCorrection",false))
-{
-    //CL: set size of weigths and mixtureComponents to 10
-    //CL: when more mixture components are used
-    //CL: size of the DynamicLis increases automatically
-    weigths.setSize(10);
-    mixtureComponents.setSize(10);
-
-    //Save a pointer of this object in the mixtureComponents array
-    mixtureComponents[0]=this;
-
-    if(realMixtureCorr_==true)
-    {
-        //CL: reads number of mixture components
-        //CL: this number is needed to calculate the number of correction coefficients
-        nCom_=dict.subDict("equationOfState").lookupOrDefault("numberOfComponents",1);
-
-            if (nCom_<1||nCom_==1)
-            {
-                FatalErrorIn
-                (
-                    "mixtureRedlichKwong::mixtureRedlichKwong(const dictionary& dict)"
-                )   << "mixture has only one component or number is not defined correctly, "
-                    << "recheck numberOfComponents in the  thermophysicalProperties dict of your case"
-                    << abort(FatalError);
-            }
-
-        label i;
-        label j;
-        label k=0;
-
-
-        // CL: saves the number of mixtureCorrectionCoefficients needed for this mixture
-        // CL: need to be set to 1
-        label sizeOfVector_=1;
-
-        //CL: size of the vector depends on the number of components
-        //CL: determine the size of the vector
-        for (i=3; i<=nCom_;i++)
-        {
-            sizeOfVector_=sizeOfVector_+(i-1);
-        }
-
-        //CL: setting the size
-        realMixtureCorrCoef_.setSize(sizeOfVector_);
-
-        //CL: Reading the real mixture correction coefficients
-        //CL: Naming convention e.g for 3 component mixture:
-        //CL: mixtureCorrectionCoefficient_12, mixtureCorrectionCoefficient_13, mixtureCorrectionCoefficient_23
-        for(i=1;i<=nCom_-1;i++)
-        {
-            for(j=i+1;j<=nCom_;j++)
-            {
-                realMixtureCorrCoef_[k]=dict.subDict("equationOfState")
-                    .lookupOrDefault("mixtureCorrectionCoefficient_" + Foam::name(i) + Foam::name(j),0.0);
-                k++;
-            }
-        }
-    }
-}
-
-// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
-void Foam::mixtureRedlichKwong::write(Ostream& os) const
-{
-    redlichKwong::write(os);
-
-}
-*/
-// * * * * * * * * * * * * * * * Ostream Operator  * * * * * * * * * * * * * //
-
-Ostream& operator<<(Ostream& os, const mixtureRedlichKwong& rk)
-{
-    os  << static_cast<const redlichKwong&>(rk)<< token::SPACE ;
-
-    os.check("Ostream& operator<<(Ostream& os, const mixtureRedlichKwong& st)");
-    return os;
-}
-
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-} // End namespace Foam
-
-// ************************************************************************* //

src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureRedlichKwong/mixtureRedlichKwong.H

@@ -1,198 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright held by original author
-     \\/     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::mixtureRedlichKwong
-
-Description
-    Redlich Kwong equation of state for multiple component mixtures using the van der Waals mixing rule
-
-    Mixing Rule --> see Paper
-
-    Title: Van der waals mixing rules for cublic equations of state. Applications for supercritical fluids extraction modelling
-    Authors: T.Y. Kwak and G.A. Mansoori
-    Journal: Chemical Engineering Science, Vol 41, No. 5, pp. 1303-1309, 1986
-
-SourceFiles
-    mixtureRedlichKwongI.H
-    mixtureRedlichKwong.C
-
-Author
-Christian Lucas
-Institut für Thermodynamik
-Technische Universität Braunschweig
-Germany
-
-\*---------------------------------------------------------------------------*/
-
-#ifndef mixtureRedlichKwong_H
-#define mixtureRedlichKwong_H
-
-#include "specie.H"
-#include "autoPtr.H"
-#include "redlichKwong.H"
-#include "scalarList.H"
-#include "DynamicList.H"
-#include "label.H"
-#include "List.H"
-#include "dictionary.H"
-#include "scalar.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-namespace Foam
-{
-
-/*---------------------------------------------------------------------------*\
-                           Class mixtureRedlichKwong Declaration
-\*---------------------------------------------------------------------------*/
-
-class mixtureRedlichKwong
-:
-    public redlichKwong
-{
-    // Private data
-
-    // Private functions
-
-    //CL: function updates the model coefficients (a,b) of the mixture
-    //CL: this is the function with the mixing rule
-    inline void updateModelCoefficients() const;
-
-protected:
-
-    //CL: save the concentrations of each component of the mixture
-    //CL: needs to be multiplied by this->W() to get the molar fractions
-    mutable DynamicList<scalar> weigths;
-
-    //CL: saves a pointer to the pure component classes of the mixture
-    mutable DynamicList<mixtureRedlichKwong*> mixtureComponents;
-
-    //CL: counts the number of components
-    mutable label numOfComp;
-
-
-    //CL: Variables used in real gas mixture correction
-
-        //CL: If true, the real gas mixture correction is used
-        mutable bool  realMixtureCorr_;
-
-        //CL: number of mixture components, needed to calculate the mixture correction factors needed
-        //CL: do not mistake this variable with numOfComp,
-        //CL: numOfComp is a counter to counts the number of components while the mixture is constructed
-        mutable label nCom_;
-
-        //CL: stores real mixture correction coefficients
-        mutable DynamicList<scalar> realMixtureCorrCoef_;
-
-public:
-
-    // Constructors
-
-        //- Construct from components
-        //CL: needed for operator*
-        inline mixtureRedlichKwong
-        (
-            const redlichKwong& rK,
-            label numOfComp,
-            DynamicList<scalar> weigths,
-            DynamicList<mixtureRedlichKwong*> mixtureComponents,
-            scalar a,
-            scalar b,
-            scalar rhostd,
-            scalar rhoMin,
-            scalar rhoMax
-        );
-
-        //- Construct from components
-        //CL: needed for operator+
-        inline mixtureRedlichKwong
-        (
-            const redlichKwong& rK,
-            label numOfComp,
-            DynamicList<scalar> weigths,
-            DynamicList<mixtureRedlichKwong*> mixtureComponents,
-            scalar rhoMin,
-            scalar rhoMax
-        );
-
-        //- Construct from Istream
-        mixtureRedlichKwong(Istream&);
-
-        //- Construct from dictionary
-        //mixtureRedlichKwong(const dictionary& dict);
-
-        //- Construct as named copy
-        inline mixtureRedlichKwong(const word& name, const mixtureRedlichKwong&);
-
-        //- Construct and return a clone
-        inline autoPtr<mixtureRedlichKwong> clone() const;
-
-        // Selector from Istream
-        inline static autoPtr<mixtureRedlichKwong> New(Istream& is);
-
-        // I-O
-
-            //- Write to Ostream
-            //void write(Ostream& os) const;
-
-
-  // Member operators
-
-        inline void operator+=(const mixtureRedlichKwong&);
-
-  // Friend operators
-
-        inline friend mixtureRedlichKwong operator+
-        (
-            const mixtureRedlichKwong&,
-            const mixtureRedlichKwong&
-        );
-
-        inline friend mixtureRedlichKwong operator*
-        (
-            const scalar s,
-            const mixtureRedlichKwong&
-        );
-
-
-    // Ostream Operator
-
-        friend Ostream& operator<<(Ostream&, const mixtureRedlichKwong&);
-};
-
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-} // End namespace Foam
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-#include "mixtureRedlichKwongI.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-#endif
-
-// ************************************************************************* //

src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureRedlichKwong/mixtureRedlichKwongI.H

@@ -1,254 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright held by original author
-     \\/     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
-
-Author
-Christian Lucas
-Institut für Thermodynamik
-Technische Universität Braunschweig
-Germany
-
-\*---------------------------------------------------------------------------*/
-
-#include "mixtureRedlichKwong.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-namespace Foam
-{
-
-// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
-
-// Construct from components
-// CL: needed for operator*
-inline mixtureRedlichKwong::mixtureRedlichKwong
-(
-    const redlichKwong& rK,
-    label numOfComp,
-    DynamicList<scalar> weigths,
-    DynamicList<mixtureRedlichKwong*> mixtureComponents,
-    scalar a,
-    scalar b,
-    scalar rhostd,
-    scalar rhoMin,
-    scalar rhoMax
-)
-:
-    redlichKwong(rK),
-    weigths(weigths),
-    mixtureComponents(mixtureComponents),
-    numOfComp(numOfComp)
-{
-    a_=a;
-    b_=b;
-    b2_=b*b;
-    b3_=pow(b,3);
-    b5_=pow(b,4);
-    rhostd_=rhostd;
-
-    //CL:setting rho boundaries
-    rhoMin_=rhoMin;
-    rhoMax_=rhoMax;
-}
-
-// Construct from components
-// CL: needed for operator+
-inline mixtureRedlichKwong::mixtureRedlichKwong
-(
-    const redlichKwong& rK,
-    label numOfComp,
-    DynamicList<scalar> weigths,
-    DynamicList<mixtureRedlichKwong*> mixtureComponents,
-    scalar rhoMin,
-    scalar rhoMax
-)
-:
-    redlichKwong(rK),
-    weigths(weigths),
-    mixtureComponents(mixtureComponents),
-    numOfComp(numOfComp)
-{
-    //CL: update model coefficients
-    updateModelCoefficients();
-
-    //CL:setting rho boundaries
-    rhoMin_=rhoMin;
-    rhoMax_=rhoMax;
-
-    //CL: calculating rho @ std
-    rhostd_=this->rho(this->Pstd(), this->Tstd(), this->Pstd()/(this->Tstd()*this->R()));
-}
-
-
-// Construct as named copy
-inline mixtureRedlichKwong::mixtureRedlichKwong(const word& name, const mixtureRedlichKwong& rK)
-:
-    redlichKwong(name, rK)
-{}
-
-
-// Construct and return a clone
-inline autoPtr<mixtureRedlichKwong> mixtureRedlichKwong::clone() const
-{
-    return autoPtr<mixtureRedlichKwong>(new mixtureRedlichKwong(*this));
-}
-
-
-// Selector from Istream
-inline autoPtr<mixtureRedlichKwong> mixtureRedlichKwong::New(Istream& is)
-{
-    return autoPtr<mixtureRedlichKwong>(new mixtureRedlichKwong(is));
-}
-
-
-// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
-
-//CL: updates the coefficents of the model after the final construction of the mixture
-//CL: uses the van der waals mixing rule
-inline void mixtureRedlichKwong::updateModelCoefficients() const
-{
-    label i,j,k;
-
-    a_=0;
-    b_=0;
-
-    for (i=0;i<numOfComp;i++)
-    {
-        //CL: getting a for the mixture
-        //CL: using van der waals mixing rule
-        for (j=0;j<numOfComp;j++)
-        {
-            //CL: Important: a is not a function of T
-            if(mixtureComponents[0]->realMixtureCorr_==true)
-            {
-                if(j!=i)
-                {
-                    //CL: gives the position of the correction factor in the vector realMixtureCorrCoef_
-                    k=i+j-1;
-
-                    a_=a_+weigths[i]*weigths[j]*pow(mixtureComponents[i]->a()*mixtureComponents[j]->a(),0.5)
-                        *this->W()*this->W()*(1-mixtureComponents[0]->realMixtureCorrCoef_[k]);
-                }
-                else
-                {
-                    a_=a_+weigths[i]*weigths[j]*pow(mixtureComponents[i]->a()*mixtureComponents[j]->a(),0.5)*this->W()*this->W();
-                }
-            }
-            //CL: don't use mixture correction cofficients k_ij (see paper reference)
-            else
-            {
-                a_=a_+weigths[i]*weigths[j]*pow(mixtureComponents[i]->a()*mixtureComponents[j]->a(),0.5)*this->W()*this->W();
-            }
-            //CL: getting b for the mixture
-            //CL: using van der waals mixing rule
-            b_=b_+weigths[i]*mixtureComponents[i]->b()*this->W();
-        }
-    }
-
-    b2_=b_*b_;
-    b3_=pow(b_,3);
-    b5_=pow(b_,4);
-}
-
-// * * * * * * * * * * * * * * * Member Operators  * * * * * * * * * * * * * //
-
-
-inline void mixtureRedlichKwong::operator+=(const mixtureRedlichKwong& rK)
-{
-    //CL: Resizes the DynamicList if number of compontens is larger than the DynamicList
-    if((weigths.size()<numOfComp+1)||(mixtureComponents.size()<numOfComp+1))
-    {
-        weigths.setSize(2*numOfComp);
-        mixtureComponents.setSize(2*numOfComp);
-    }
-
-    //Cl: oldClass+=rK
-    //CL: Saving the object pointer and weigths of rK (which is @ mixtureComponents[0] and weigths[0]) at the numOfComp's value of the oldClass
-    weigths[numOfComp]=rK.weigths[0];
-    mixtureComponents[numOfComp]=rK.mixtureComponents[0];
-
-    redlichKwong::operator+=(rK);
-
-    //CL: increase number of Components by 1
-    numOfComp=numOfComp+1;
-
-    //CL: update model coefficients
-    updateModelCoefficients();
-
-    //CL:setting rho boundaries
-    rhoMin_=min(rhoMin_,rK.rhoMin_);
-    rhoMax_=max(rhoMax_,rK.rhoMax_);
-
-    //CL: calculating rho @ std
-    rhostd_=this->rho(this->Pstd(), this->Tstd(), this->Pstd()*this->W()/(this->Tstd()*this->R()));
-}
-
-// * * * * * * * * * * * * * * * Friend Operators  * * * * * * * * * * * * * //
-
-
-inline mixtureRedlichKwong operator+
-(
-    const mixtureRedlichKwong& rK1,
-    const mixtureRedlichKwong& rK2
-)
-{
-    //CL:save both a pointer to the objector rK1 and rK2 and the weights in the new object
-    DynamicList<scalar> weigths=rK1.weigths;
-    DynamicList<mixtureRedlichKwong*> mixtureComponents=rK1.mixtureComponents;
-
-    //CL: Resizes the DynamicList if number of compontens is larger than the DynamicList
-    if((weigths.size()<rK1.numOfComp+1)||(mixtureComponents.size()<rK1.numOfComp+1))
-    {
-        weigths.setSize(2*rK1.numOfComp);
-        mixtureComponents.setSize(2*rK1.numOfComp);
-    }
-
-    //CL: Getting the new weigths and mixtureComponents lists,
-    //CL: Saving the object pointer and weigths of rK2 (which is @ mixtureComponents[0] and weigths[0]) at the numOfComp's value of the new object
-    weigths[rK1.numOfComp]=rK2.weigths[0];
-    mixtureComponents[rK1.numOfComp]=rK2.mixtureComponents[0];
-
-    return mixtureRedlichKwong(static_cast<const redlichKwong&>(rK1)+static_cast<const redlichKwong&>(rK2),
-        rK1.numOfComp+1, weigths, mixtureComponents, min(rK1.rhoMin_,rK2.rhoMin_), max(rK1.rhoMax_,rK2.rhoMax_));
-}
-
-
-inline mixtureRedlichKwong operator*
-(
-    const scalar s,
-    const mixtureRedlichKwong& rK
-)
-{
-    //CL: saving the "concentraction" of the component of the mixture in the vector weights
-    DynamicList<scalar> weigths=rK.weigths;
-    weigths[rK.numOfComp-1]=s*rK.nMoles();
-
-   return mixtureRedlichKwong(s*static_cast<const redlichKwong&>(rK), rK.numOfComp, weigths,
-              rK.mixtureComponents,rK.a_,rK.b_,rK.rhostd_, rK.rhoMin_, rK.rhoMax_);
-}
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-} // End namespace Foam
-
-// ************************************************************************* //

src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureSoaveRedlichKwong/mixtureSoaveRedlichKwong.C

@@ -1,157 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright held by original author
-     \\/     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
-
-Description
-    Soave Redlich Kwong equation of state for mixtures.
-
-Author
-Christian Lucas
-Institut für Thermodynamik
-Technische Universität Braunschweig
-Germany
-
-\*---------------------------------------------------------------------------*/
-
-#include "mixtureSoaveRedlichKwong.H"
-#include "IOstreams.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-namespace Foam
-{
-
-// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
-
-mixtureSoaveRedlichKwong::mixtureSoaveRedlichKwong(Istream& is)
-:
-    soaveRedlichKwong(is),
-    singleComponent(1),
-    numOfComp(1),
-    //CL: no real gas mixture correction when stream constructor is used
-    realMixtureCorr_(false)
-{
-    //CL: set size of weigths, mixtureComponents ... to 10,
-    //CL: when more mixture componentents are used
-    //CL: size of the DynamicLis increases automatically
-    weigths.setSize(10);
-    mixtureComponents.setSize(10);
-
-    //Save a pointer of this object in the mixtureComponents array
-    mixtureComponents[0]=this;
-    is.check("mixtureSoaveRedlichKwong::mixtureSoaveRedlichKwong(Istream& is)");
-}
-
-//CL: Constructed needed in OpenFOAM 2.x.x
-//CL: Code works fine, but compiling problem in OpenFOAM 1.6.ext
-//CL:  because specie has no constructor using dict
-/*
-mixtureSoaveRedlichKwong::mixtureSoaveRedlichKwong(const dictionary& dict)
-:
-    soaveRedlichKwong(dict),
-    numOfComp(1),
-    singleComponent(1),
-    realMixtureCorr_(dict.subDict("equationOfState").lookupOrDefault("realMixtureCorrection",false))
-{
-    //CL: set size of weigths, mixtureComponents ... to 10,
-    //CL: when more mixture componentents are used
-    //CL: size of the DynamicLis increases automatically
-    weigths.setSize(10);
-    mixtureComponents.setSize(10);
-
-    //Save a pointer of this object in the mixtureComponents array
-    mixtureComponents[0]=this;
-
-    if(realMixtureCorr_==true)
-    {
-        //CL: reads number of mixture components
-        //CL: this number is needed to calculate the number of correction coefficients
-        nCom_=dict.subDict("equationOfState").lookupOrDefault("numberOfComponents",1);
-
-            if (nCom_<1||nCom_==1)
-            {
-                FatalErrorIn
-                (
-                    "mixturePengRobinson::mixturePengRobinson(const dictionary& dict)"
-                )   << "mixture has only one component or number is not defined correctly, "
-                    << "recheck numberOfComponents in the  thermophysicalProperties dict of your case"
-                    << abort(FatalError);
-            }
-
-        label i;
-        label j;
-        label k=0;
-
-        // CL: saves the number of mixtureCorrectionCoefficients needed for this mixture
-        // CL: need to be set to 1
-        label sizeOfVector_=1;
-
-        //CL: size of the vector depends on the number of components
-        //CL: determine the size of the vector
-        for (i=3; i<=nCom_;i++)
-        {
-            sizeOfVector_=sizeOfVector_+(i-1);
-        }
-
-        //CL: setting the size
-        realMixtureCorrCoef_.setSize(sizeOfVector_);
-
-        //CL: Reading the real mixture correction coefficients
-        //CL: Naming convention e.g for 3 component mixture:
-        //CL: mixtureCorrectionCoefficient_12, mixtureCorrectionCoefficient_13, mixtureCorrectionCoefficient_23
-        for(i=1;i<=nCom_-1;i++)
-        {
-            for(j=i+1;j<=nCom_;j++)
-            {
-                realMixtureCorrCoef_[k]=dict.subDict("equationOfState")
-                    .lookupOrDefault("mixtureCorrectionCoefficient_" + Foam::name(i) + Foam::name(j),0.0);
-                k++;
-            }
-        }
-    }
-}
-
-// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
-
-void Foam::mixtureSoaveRedlichKwong::write(Ostream& os) const
-{
-    soaveRedlichKwong::write(os);
-
-}
-*/
-// * * * * * * * * * * * * * * * Ostream Operator  * * * * * * * * * * * * * //
-
-Ostream& operator<<(Ostream& os, const mixtureSoaveRedlichKwong& srk)
-{
-    os  << static_cast<const soaveRedlichKwong&>(srk)<< token::SPACE ;
-
-    os.check("Ostream& operator<<(Ostream& os, const mixtureSoaveRedlichKwong& st)");
-    return os;
-}
-
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-} // End namespace Foam
-
-// ************************************************************************* //

src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureSoaveRedlichKwong/mixtureSoaveRedlichKwong.H

@@ -1,273 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright held by original author
-     \\/     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::mixtureSoaveRedlichKwong
-
-Description
-    Soave Redlich Kwong equation of state for multiple component mixtures using the van der Waals mixing rule
-
-    Mixing Rule --> see Paper
-
-    Title: Van der eaals mixting rules for cublic equations of state. Applications for supercritical fluids extraction modelling
-    Authors: T.Y. Kwak and G.A. Mansoori
-    Journal: Chemical Engineering Science, Vol 41, No. 5, pp. 1303-1309, 1986
-
-SourceFiles
-    mixtureSoaveRedlichKwongI.H
-    mixtureSoaveRedlichKwong.C
-
-Author
-Christian Lucas
-Institut für Thermodynamik
-Technische Universität Braunschweig
-Germany
-
-\*---------------------------------------------------------------------------*/
-
-#ifndef mixtureSoaveRedlichKwong_H
-#define mixtureSoaveRedlichKwong_H
-
-#include "specie.H"
-#include "autoPtr.H"
-#include "soaveRedlichKwong.H"
-#include "DynamicList.H"
-#include "scalarList.H"
-#include "label.H"
-#include "List.H"
-#include "dictionary.H"
-#include "scalar.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-namespace Foam
-{
-
-/*---------------------------------------------------------------------------*\
-                           Class mixtureSoaveRedlichKwong Declaration
-\*---------------------------------------------------------------------------*/
-
-class mixtureSoaveRedlichKwong
-:
-    public soaveRedlichKwong
-{
-
-protected:
-
-    //CL: bool used to make sure the model behaves like a single component model when needed
-    //CL: this is needed during the construction of the mixture
-    mutable bool singleComponent;
-
-    //CL: save the concentrations of each component of the mixture
-    //CL: needs to be multiplied by this->W() to get the molar fractions
-    mutable DynamicList<scalar> weigths;
-
-    //CL: saves a pointer to the pure component classes of the mixture
-    mutable DynamicList<mixtureSoaveRedlichKwong*> mixtureComponents;
-
-    //CL: counts the number of components
-    mutable label numOfComp;
-
-    //Protected functions
-
-    //CL: function updates the coefficients (aSave, daSave, d2aSave, b) of the mixture
-    inline void updateModelCoefficients(const  scalar T) const;
-
-    //CL: Variables used in real gas mixture correction
-
-        //CL: If true, the real gas mixture correction is used
-        mutable bool  realMixtureCorr_;
-
-        //CL: number of mixture components, needed to calculate the mixture correction factors needed
-        //CL: do not mistake this variable with numOfComp,
-        //CL: numOfComp is a counter to counts the number of components while the mixture is constructed
-        mutable label nCom_;
-
-        //CL: stores real mixture correction coefficients
-        mutable DynamicList<scalar> realMixtureCorrCoef_;
-
-
-public:
-
-    // Constructors
-
-        //- Construct from components
-        //CL: needed for operator*
-        inline mixtureSoaveRedlichKwong
-        (
-            const soaveRedlichKwong& srk,
-            label numOfComp,
-            DynamicList<scalar> weigths,
-            DynamicList<mixtureSoaveRedlichKwong*> mixtureComponents,
-            scalar a0,
-            scalar b,
-            scalar Tcrit,
-            scalar n,
-            scalar rhostd,
-            scalar rhoMin,
-            scalar rhoMax
-        );
-
-        //- Construct from components
-        //CL: needed for operator+
-        inline mixtureSoaveRedlichKwong
-        (
-            const soaveRedlichKwong& srk,
-            label numOfComp,
-            DynamicList<scalar> weigths,
-            DynamicList<mixtureSoaveRedlichKwong*> mixtureComponents,
-            scalar rhoMin,
-            scalar rhoMax
-        );
-
-        //- Construct from Istream
-        mixtureSoaveRedlichKwong(Istream&);
-
-        //- Construct from dictionary
-        //mixtureSoaveRedlichKwong(const dictionary& dict);
-
-        //- Construct as named copy
-        inline mixtureSoaveRedlichKwong(const word& name, const mixtureSoaveRedlichKwong&);
-
-        //- Construct and return a clone
-        inline autoPtr<mixtureSoaveRedlichKwong> clone() const;
-
-        // Selector from Istream
-        inline static autoPtr<mixtureSoaveRedlichKwong> New(Istream& is);
-
-   // Member functions
-
-        //CL: mixture coefficience
-        inline scalar amix(const scalar T, const label i, const  label j) const;
-
-        inline scalar dadTmix(const scalar T, const label i, const  label j) const;
-
-        inline scalar d2adT2mix(const scalar T, const label i, const  label j) const;
-
-        inline scalar p(const scalar rho, const scalar T) const;
-
-        //first order derivatives
-        inline scalar dpdv(const scalar rho, const  scalar T) const;
-
-        inline scalar dpdT(const scalar rho, const scalar T) const;
-
-        inline scalar dvdT(const scalar rho, const  scalar T) const;
-
-        inline scalar dvdp(const scalar rho, const scalar T) const;
-
-        inline scalar isobarExpCoef(const scalar rho, const  scalar T) const;
-
-        inline scalar isothermalCompressiblity
-        (
-            const scalar rho,
-            const scalar T
-        ) const;
-
-        // Used for cv
-        inline scalar integral_d2pdT2_dv
-        (
-            const scalar rho,
-            const scalar T
-        ) const;
-
-        //Used for internal Energy
-        inline scalar integral_p_dv(const scalar rho, const scalar T) const;
-
-        // Used for Entropy
-        inline scalar integral_dpdT_dv(const scalar rho, const scalar T) const;
-
-        // second order derivatives, not Used At The Moment
-        inline scalar d2pdv2(const scalar rho, const scalar T) const;
-
-        inline scalar d2pdT2(const scalar rho, const scalar T) const;
-
-        inline scalar d2pdvdT(const scalar rho, const scalar T) const;
-
-        inline scalar d2vdT2(const scalar rho, const  scalar T) const;
-
-        //- Return density [kg/m^3]
-        // rho0 is the starting point of the newton solver used to calculate rho
-        inline scalar rho
-        (
-            const scalar p,
-            const scalar T,
-            const scalar rho0
-        ) const;
-
-        inline scalar rho(const scalar p, const scalar T) const;
-
-        //- Return compressibility drho/dp at T=constant [s^2/m^2]
-        inline scalar psi(const scalar rho, const scalar T) const;
-
-        //- Return compression factor []
-        inline scalar Z
-        (
-            const scalar p,
-            const scalar T,
-            const scalar rho0
-        ) const;
-
-        // I-O
-
-            //- Write to Ostream
-            //void write(Ostream& os) const;
-
-  // Member operators
-
-        inline void operator+=(const mixtureSoaveRedlichKwong&);
-
-  // Friend operators
-
-        inline friend mixtureSoaveRedlichKwong operator+
-        (
-            const mixtureSoaveRedlichKwong&,
-            const mixtureSoaveRedlichKwong&
-        );
-
-        inline friend mixtureSoaveRedlichKwong operator*
-        (
-            const scalar s,
-            const mixtureSoaveRedlichKwong&
-        );
-
-
-    // Ostream Operator
-
-        friend Ostream& operator<<(Ostream&, const mixtureSoaveRedlichKwong&);
-};
-
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-} // End namespace Foam
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-#include "mixtureSoaveRedlichKwongI.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-#endif
-
-// ************************************************************************* //

src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureSoaveRedlichKwong/mixtureSoaveRedlichKwongI.H

@@ -1,498 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright held by original author
-     \\/     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
-
-Author
-Christian Lucas
-Institut für Thermodynamik
-Technische Universität Braunschweig
-Germany
-
-\*---------------------------------------------------------------------------*/
-
-#include "mixtureSoaveRedlichKwong.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-namespace Foam
-{
-
-// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
-
-// Construct from components
-// CL: needed for operator*
-inline mixtureSoaveRedlichKwong::mixtureSoaveRedlichKwong
-(
-    const soaveRedlichKwong& srk,
-    label numOfComp,
-    DynamicList<scalar> weigths,
-    DynamicList<mixtureSoaveRedlichKwong*> mixtureComponents,
-    scalar a0,
-    scalar b,
-    scalar Tcrit,
-    scalar n,
-    scalar rhostd,
-    scalar rhoMin,
-    scalar rhoMax
-)
-:
-    soaveRedlichKwong(srk),
-    singleComponent(1),
-    weigths(weigths),
-    mixtureComponents(mixtureComponents),
-    numOfComp(numOfComp)
-{
-    a0_=a0;
-    b_=b;
-    Tcrit_=Tcrit;
-    n_=n;
-    rhostd_=rhostd;
-    rhoMin_=rhoMin;
-    rhoMax_=rhoMax;
-}
-
-
-// Construct from components
-// CL: needed for operator+
-inline mixtureSoaveRedlichKwong::mixtureSoaveRedlichKwong
-(
-    const soaveRedlichKwong& srk,
-    label numOfComp,
-    DynamicList<scalar> weigths,
-    DynamicList<mixtureSoaveRedlichKwong*> mixtureComponents,
-    scalar rhoMin,
-    scalar rhoMax
-)
-:
-    soaveRedlichKwong(srk),
-    singleComponent(0),
-    weigths(weigths),
-    mixtureComponents(mixtureComponents),
-    numOfComp(numOfComp)
-{
-    TSave=0.0;
-    rhoMin_=rhoMin;
-    rhoMax_=rhoMax;
-    rhostd_=this->rho(this->Pstd(), this->Tstd(), this->Pstd()*this->W()/(this->Tstd()*this->R()));
-}
-
-
-// Construct as named copy
-inline mixtureSoaveRedlichKwong::mixtureSoaveRedlichKwong(const word& name, const mixtureSoaveRedlichKwong& srk)
-:
-    soaveRedlichKwong(name, srk)
-{}
-
-
-// Construct and return a clone
-inline autoPtr<mixtureSoaveRedlichKwong> mixtureSoaveRedlichKwong::clone() const
-{
-    return autoPtr<mixtureSoaveRedlichKwong>(new mixtureSoaveRedlichKwong(*this));
-}
-
-
-// Selector from Istream
-inline autoPtr<mixtureSoaveRedlichKwong> mixtureSoaveRedlichKwong::New(Istream& is)
-{
-    return autoPtr<mixtureSoaveRedlichKwong>(new mixtureSoaveRedlichKwong(is));
-}
-
-// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
-
-
-//CL: updates the coefficents of the model after the final construction of the mixture
-//CL: uses the van der waals mixing rule
-inline void mixtureSoaveRedlichKwong::updateModelCoefficients(const  scalar T) const
-{
-    // CL: to make sure that the coefficents are only updated if the mixture has more than 1 component
-    if (singleComponent==0)
-    {
-        // Checking if the mixture coefficient were already calculated for this temperature
-        if(TSave!=T)
-        {
-            label i,j,k;
-
-            aSave=0;
-            daSave=0;
-            d2aSave=0;
-            b_=0;
-
-            for (i=0;i<numOfComp;i++)
-            {
-                //CL: getting a(T), dadT(T) and d2adT2(T) for the mixture
-                //CL: using van der waals mixing rule
-                for (j=0;j<numOfComp;j++)
-                {
-
-                    //CL: use mixture correction cofficients k_ij (see paper reference)
-                    if(mixtureComponents[0]->realMixtureCorr_==true)
-                    {
-                        // first and second order temperature derivative of the van der waals mixing rule for a(T)
-                        if(i==j)
-                        {
-                            aSave=aSave+amix(T,i,j);
-                            daSave=daSave+dadTmix(T,i,j);
-                            d2aSave=d2aSave+d2adT2mix(T,i,j);
-                        }
-                        else
-                        {
-                            //CL: gives the position of the correction factor in the vector realMixtureCorrCoef_
-                            k=i+j-1;
-
-                            aSave=aSave+amix(T,i,j)*(1-mixtureComponents[0]->realMixtureCorrCoef_[k]);
-                            daSave=daSave+dadTmix(T,i,j)*(1-mixtureComponents[0]->realMixtureCorrCoef_[k]);
-                            d2aSave=d2aSave+d2adT2mix(T,i,j)*(1-mixtureComponents[0]->realMixtureCorrCoef_[k]);
-                        }
-
-                    }
-                    else
-                    {
-                        aSave=aSave+amix(T,i,j);
-                        daSave=daSave+dadTmix(T,i,j);
-                        d2aSave=d2aSave+d2adT2mix(T,i,j);
-                    }
-                }
-
-                //CL: getting b for the mixture
-                //CL: using van der waals mixing rule
-                b_=b_+weigths[i]*mixtureComponents[i]->b()*this->W();
-
-                //CL: saving the temperature at which the mixture coefficients are valid
-                TSave=T;
-            }
-
-            b2_=b_*b_;
-            b3_=pow(b_,3);
-            b5_=pow(b_,5);
-        }
-    }
-}
-
-//CL: returns part of  "a" for the mixture
-//CL: Important: a is a function of T
-//CL: TODO: RECHECK
-inline scalar mixtureSoaveRedlichKwong::amix(const scalar T, const label i, const label j) const
-{
-
-    return weigths[i]*weigths[j]*this->W()*this->W()*
-               pow(mixtureComponents[i]->a(T)*mixtureComponents[j]->a(T),0.5);
-}
-
-//CL: returns part of the first derivative of "a" for the mixture
-//CL: Important: a is a function of T
-//CL: TODO: RECHECK
-inline scalar mixtureSoaveRedlichKwong::dadTmix(const scalar T, const label i, const label j) const
-{
-
-    return 0.5*weigths[i]*weigths[j]*this->W()*this->W()
-               *(pow(mixtureComponents[i]->a(T)/mixtureComponents[j]->a(T),0.5)*mixtureComponents[j]->dadT(T)
-                   +pow(mixtureComponents[j]->a(T)/mixtureComponents[i]->a(T),0.5)*mixtureComponents[i]->dadT(T));
-}
-
-//CL: returns part of the second derivative of "a" for the mixture
-//CL: Important: a is a function of T
-//CL: TODO: RECHECK
-inline scalar mixtureSoaveRedlichKwong::d2adT2mix(const scalar T, const label i, const label j) const
-{
-
-    return  0.5*weigths[i]*weigths[j]*this->W()*this->W()*
-            (
-                pow(mixtureComponents[i]->a(T)/mixtureComponents[j]->a(T),0.5)*mixtureComponents[j]->d2adT2(T)
-                    +pow(mixtureComponents[j]->a(T)/mixtureComponents[i]->a(T),0.5)*mixtureComponents[i]->d2adT2(T)
-                        +pow(mixtureComponents[i]->a(T)*mixtureComponents[j]->a(T),-0.5)
-                            *mixtureComponents[i]->dadT(T)*mixtureComponents[j]->dadT(T)
-                                -0.5*pow(mixtureComponents[i]->a(T)/mixtureComponents[j]->a(T),0.5)*1/mixtureComponents[j]->a(T)
-                                    *pow(mixtureComponents[j]->dadT(T),2)
-                                        -0.5*pow(mixtureComponents[j]->a(T)/mixtureComponents[i]->a(T),0.5)
-                                            *1/mixtureComponents[i]->a(T)*pow(mixtureComponents[i]->dadT(T),2)
-            );
-}
-
-//returns the pressure for a given density and temperature
-inline scalar mixtureSoaveRedlichKwong::p(const scalar rho, const scalar T) const
-{
-    updateModelCoefficients(T);
-    return soaveRedlichKwong::p(rho,T);
-}
-
-
-//Real deviative dp/dv at constant temperature
-//(molar values)
-inline scalar mixtureSoaveRedlichKwong::dpdv(const scalar rho, const scalar T) const
-{
-    updateModelCoefficients(T);
-    return soaveRedlichKwong::dpdv(rho,T);
-}
-
-
-//Real deviative dp/dT at constant molar volume
-//(molar values)
-inline scalar mixtureSoaveRedlichKwong::dpdT(const scalar rho, const scalar T) const
-{
-    updateModelCoefficients(T);
-    return soaveRedlichKwong::dpdT(rho,T);
-}
-
-
-//Real  deviative dv/dT at constant pressure
-//(molar values)
-inline scalar mixtureSoaveRedlichKwong::dvdT(const scalar rho, const scalar T) const
-{
-    updateModelCoefficients(T);
-    return soaveRedlichKwong::dvdT(rho,T);
-}
-
-
-//Real  deviative dv/dp at constant temperature
-//(molar values)
-inline scalar mixtureSoaveRedlichKwong::dvdp(const scalar rho, const scalar T)  const
-{
-    updateModelCoefficients(T);
-    return soaveRedlichKwong::dvdp(rho,T);
-}
-
-
-//needed to calculate the internal energy
-//(molar values)
-inline scalar mixtureSoaveRedlichKwong::integral_p_dv
-(
-    const scalar rho,
-    const scalar T
-) const
-{
-    updateModelCoefficients(T);
-    return soaveRedlichKwong::integral_p_dv(rho,T);
-}
-
-
-//needed to calculate the entropy
-//(molar values)
-inline scalar mixtureSoaveRedlichKwong::integral_dpdT_dv
-(
-    const scalar rho,
-    const scalar T
-) const
-{
-    updateModelCoefficients(T);
-    return soaveRedlichKwong::integral_dpdT_dv(rho,T);
-}
-
-
-//(molar values)
-inline scalar mixtureSoaveRedlichKwong::d2pdT2(const scalar rho, const scalar T) const
-{
-    updateModelCoefficients(T);
-    return soaveRedlichKwong::d2pdT2(rho,T);
-}
-
-
-//(molar values)
-inline scalar mixtureSoaveRedlichKwong::d2pdv2(const scalar rho, const scalar T) const
-{
-    updateModelCoefficients(T);
-    return soaveRedlichKwong::d2pdv2(rho,T);
-}
-
-
-//(molar values)
-inline scalar mixtureSoaveRedlichKwong::d2vdT2(const scalar rho, const scalar T) const
-{
-    updateModelCoefficients(T);
-    return soaveRedlichKwong::d2vdT2(rho,T);
-}
-
-
-//(molar values)
-inline scalar mixtureSoaveRedlichKwong::d2pdvdT(const scalar rho, const scalar T) const
-{
-    updateModelCoefficients(T);
-    return soaveRedlichKwong::d2pdvdT(rho,T);
-}
-
-
-// the result of this intergal is needed for the nasa based cp polynomial
-//(molar values)
-inline scalar mixtureSoaveRedlichKwong::integral_d2pdT2_dv
-(
-    const scalar rho,
-    const scalar T
-)  const
-{
-    updateModelCoefficients(T);
-    return soaveRedlichKwong::integral_d2pdT2_dv(rho,T);
-}
-
-
-//Isobar expansion Coefficent beta = 1/v (dv/dt) at constant p
-//(molar values)
-inline scalar mixtureSoaveRedlichKwong::isobarExpCoef
-(
-    const scalar rho,
-    const scalar T
-) const
-{
-    updateModelCoefficients(T);
-    return soaveRedlichKwong::isobarExpCoef(rho,T);
-}
-
-
-//isothemal compressiblity kappa (not Thermal conductivity)
-//(molar values)
-inline scalar mixtureSoaveRedlichKwong::isothermalCompressiblity
-(
-    const scalar rho,
-    const scalar T
-) const
-{
-    updateModelCoefficients(T);
-    return soaveRedlichKwong::isothermalCompressiblity(rho,T);
-}
-
-
-//- Return density [kg/m^3]on
-inline scalar mixtureSoaveRedlichKwong::rho
-(
-    const scalar p,
-    const scalar T,
-    const scalar rho0
-) const
-{
-    updateModelCoefficients(T);
-
-    return soaveRedlichKwong::rho(p,T,rho0);
-}
-
-
-//- Return density [kg/m^3]on
-inline scalar mixtureSoaveRedlichKwong::rho(const scalar p, const scalar T) const
-{
-    updateModelCoefficients(T);
-    return soaveRedlichKwong::rho(p,T);
-}
-
-
-//- Return compressibility drho/dp at T=constant [s^2/m^2]
-inline scalar mixtureSoaveRedlichKwong::psi(const scalar rho, const scalar T) const
-{
-    this->updateModelCoefficients(T);
-    return soaveRedlichKwong::psi(rho,T);
-}
-
-
-//- Return compression factor []
-inline scalar mixtureSoaveRedlichKwong::Z
-(
-    const scalar p,
-    const scalar T,
-    const scalar rho0
-) const
-{
-    updateModelCoefficients(T);
-    return soaveRedlichKwong::Z(p,T,rho0);
-}
-
-// * * * * * * * * * * * * * * * Member Operators  * * * * * * * * * * * * * //
-
-
-inline void mixtureSoaveRedlichKwong::operator+=(const mixtureSoaveRedlichKwong& srk)
-{
-    //CL: Resizes the DynamicList if number of compontens is larger than the DynamicList
-    if((weigths.size()<numOfComp+1)||(mixtureComponents.size()<numOfComp+1))
-    {
-        weigths.setSize(2*numOfComp);
-        mixtureComponents.setSize(2*numOfComp);
-    }
-
-    //Cl: oldClass+=srk
-    //CL: Saving the object pointer and weigths of pr (which is @ mixtureComponents[0] and weigths[0]) at the numOfComp's value of the oldClass
-    weigths[numOfComp]=srk.weigths[0];
-    mixtureComponents[numOfComp]=srk.mixtureComponents[0];
-
-    soaveRedlichKwong::operator+=(srk);
-
-    //CL: increase number of Components by 1
-    numOfComp=numOfComp+1;
-
-    //CL: setting TSave=0--> results that all coefficients (a, da, d2a) are calculated in updateModelCoefficients
-    TSave=0.0;
-    singleComponent=0;
-
-    //CL:setting rho boundaries
-    rhoMin_=min(rhoMin_,srk.rhoMin_);
-    rhoMax_=max(rhoMax_,srk.rhoMax_);
-
-    //CL: calculating rho @ std
-    rhostd_=this->rho(this->Pstd(), this->Tstd(), this->Pstd()*this->W()/(this->Tstd()*this->R()));
-}
-
-
-// * * * * * * * * * * * * * * * Friend Operators  * * * * * * * * * * * * * //
-
-
-inline mixtureSoaveRedlichKwong operator+
-(
-    const mixtureSoaveRedlichKwong& srk1,
-    const mixtureSoaveRedlichKwong& srk2
-)
-{
-    //CL:save both a pointer to the objector srk1 and srk2 and the weights in the new object
-    DynamicList<scalar> weigths=srk1.weigths;
-    DynamicList<mixtureSoaveRedlichKwong*> mixtureComponents=srk1.mixtureComponents;
-
-    //CL: Resizes the DynamicList if number of compontens is larger than the DynamicList
-    if((weigths.size()<srk1.numOfComp+1)||(mixtureComponents.size()<srk1.numOfComp+1))
-    {
-        weigths.setSize(2*srk1.numOfComp);
-        mixtureComponents.setSize(2*srk1.numOfComp);
-    }
-
-    //CL: Getting the new weigths and mixtureComponents lists,
-    //CL: Saving the object pointer and weigths of srk2 (which is @ mixtureComponents[0] and weigths[0]) at the numOfComp's value of the new object
-    weigths[srk1.numOfComp]=srk2.weigths[0];
-    mixtureComponents[srk1.numOfComp]=srk2.mixtureComponents[0];
-
-    return mixtureSoaveRedlichKwong(static_cast<const soaveRedlichKwong&>(srk1)+static_cast<const soaveRedlichKwong&>(srk2),
-        srk1.numOfComp+1, weigths, mixtureComponents, min(srk1.rhoMin_,srk2.rhoMin_), max(srk1.rhoMax_,srk2.rhoMax_));
-}
-
-
-inline mixtureSoaveRedlichKwong operator*
-(
-    const scalar s,
-    const mixtureSoaveRedlichKwong& srk
-)
-{
-    //CL: saving the "concentraction" of the component of the mixture in the vector weights
-    //CL: saved at the Position "numOfComp-1"
-    DynamicList<scalar> weigths=srk.weigths;
-    weigths[srk.numOfComp-1]=s*srk.nMoles();
-
-   return mixtureSoaveRedlichKwong(s*static_cast<const soaveRedlichKwong&>(srk), srk.numOfComp, weigths,
-       srk.mixtureComponents,srk.a0_,srk.b_,srk.Tcrit_,srk.n_,srk.rhostd_, srk.rhoMin_, srk.rhoMax_);
-}
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-} // End namespace Foam
-
-// ************************************************************************* //

src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/pengRobinson/pengRobinson.C

@@ -1,26 +1,25 @@
 /*---------------------------------------------------------------------------*\
   =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+  \\      /  F ield         | foam-extend: Open Source CFD
    \\    /   O peration     |
-    \\  /    A nd           | Copyright held by original author
+    \\  /    A nd           | For copyright notice see file Copyright
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
-    This file is part of OpenFOAM.
+    This file is part of foam-extend.
 
-    OpenFOAM is free software; you can redistribute it and/or modify it
+    foam-extend 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
+    Free Software Foundation, either version 3 of the License, or (at your
     option) any later version.
 
-    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    foam-extend is distributed in the hope that it will be useful, but
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    WITHOUT ANY WARRANTY; without even the implied warranty of
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU
-    for more details.
+    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,
+    along with foam-extend.  If not, see <http://www.gnu.org/licenses/>.
-    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
 
 Description
     Peng Robinson equation of state.
@@ -28,7 +27,7 @@ Description
 Author
 Christian Lucas
 Institut für Thermodynamik
-Technische Universität Braunschweig
+Technische Universität Braunschweig 
 Germany
 
 \*---------------------------------------------------------------------------*/
@@ -36,32 +35,31 @@ Germany
 #include "pengRobinson.H"
 #include "IOstreams.H"
 
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-namespace Foam
-{
-
 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
 
-pengRobinson::pengRobinson(Istream& is)
+Foam::pengRobinson::pengRobinson(Istream& is)
 :
     specie(is),
     pcrit_(readScalar(is)),
     Tcrit_(readScalar(is)),
     azentricFactor_(readScalar(is)),
-    n_(0.37464+1.54226*azentricFactor_-0.26992*pow(azentricFactor_,2)),
+    a0_(0.457235*pow(this->RR(), 2)*pow(Tcrit_, 2)/pcrit_),
-    a0_(0.457235*pow(this->RR(),2)*pow(Tcrit_,2)/pcrit_),
+    b_(0.077796*this->RR()*Tcrit_/pcrit_), 
-    b_(0.077796*this->RR()*Tcrit_/pcrit_),
+    n_(0.37464 + 1.54226*azentricFactor_ - 0.26992*pow(azentricFactor_, 2)),
+    b2_(b_*b_),
+    b3_(b2_*b_),
+    b4_(b3_*b_),
+    b5_(b4_*b_),
+    b6_(b5_*b_),
     //CL: Only uses the default values
-    b2_(pow(b_,2)),
-    b3_(pow(b_,3)),
-    b4_(pow(b_,4)),
-    b5_(pow(b_,5)),
-    rhoMax_(1500),
     rhoMin_(1e-3),
-    TSave(0.0),
+    rhoMax_(1500),
     // Starting GUESS for the density by ideal gas law
-    rhostd_(this->rho(this->Pstd(),this->Tstd(),this->Pstd()/(this->Tstd()*this->R())))
+    rhostd_(this->rho(this->Pstd(), this->Tstd(), this->Pstd()/(this->Tstd()*this->R()))),
+    aSave(0.0),
+    daSave(0.0),
+    d2aSave(0.0),
+    TSave(0.0)
 {
     is.check("pengRobinson::pengRobinson(Istream& is)");
 }
@@ -78,19 +76,25 @@ pengRobinson::pengRobinson(const dictionary& dict)
     //CL: rhoMin and rhoMax are only used as boundaries for the bisection methode (see rho function)
     //CL: important: rhoMin and rhoMax are not used as boundary for the newton solver
     //CL: therefore, rho can be larger than rhoMax and smaller than rhoMin
+    a0_(0.457235*pow(this->RR(), 2)*pow(Tcrit_, 2)/pcrit_),
+    b_(0.077796*this->RR()*Tcrit_/pcrit_),
+    n_(0.37464 + 1.54226*azentricFactor_ - 0.26992*pow(azentricFactor_, 2)),
+    b2_(b_*b_),
+    b3_(b2_*b_),
+    b4_(b3_*b_),
+    b5_(b4_*b_),
+    b6_(b5_*b_),
     rhoMin_(dict.subDict("equationOfState").lookupOrDefault("rhoMin",1e-3)),
     rhoMax_(dict.subDict("equationOfState").lookupOrDefault("rhoMax",1500)),
-    a0_(0.457235*pow(this->RR(),2)*pow(Tcrit_,2)/pcrit_),
+    aSave(0.0),
-    b_(0.077796*this->RR()*Tcrit_/pcrit_),
+    daSave(0.0),
-    n_(0.37464+1.54226*azentricFactor_-0.26992*pow(azentricFactor_,2)),
+    d2aSave(0.0),
     TSave(0.0),
-    b2_(pow(b_,2)),
+    // Starting GUESS for the density by ideal gas law
-    b3_(pow(b_,3)),
+    rhostd_(this->rho(this->Pstd(), this->Tstd(), this->Pstd()/(this->Tstd()*this->R())))
-    b4_(pow(b_,4)),
-    b5_(pow(b_,5)),
-    rhostd_(this->rho(Pstd,Tstd,Pstd/(Tstd*this->R())))
 {}
 
+
 // * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
 
 void Foam::pengRobinson::write(Ostream& os) const
@@ -107,11 +111,13 @@ void Foam::pengRobinson::write(Ostream& os) const
     os  << indent << dict.dictName() << dict;
 }
 */
+
+
 // * * * * * * * * * * * * * * * Ostream Operator  * * * * * * * * * * * * * //
 
-Ostream& operator<<(Ostream& os, const pengRobinson& pr)
+Foam::Ostream& Foam::operator<<(Ostream& os, const pengRobinson& pr)
 {
-    os  << static_cast<const specie&>(pr)<< token::SPACE
+    os  << static_cast<const specie&>(pr)<< token::SPACE 
         << pr.pcrit_ << tab<< pr.Tcrit_<< tab << pr.azentricFactor_;
 
     os.check("Ostream& operator<<(Ostream& os, const pengRobinson& st)");
@@ -119,8 +125,4 @@ Ostream& operator<<(Ostream& os, const pengRobinson& pr)
 }
 
 
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-} // End namespace Foam
-
 // ************************************************************************* //

src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/pengRobinson/pengRobinson.H

@@ -1,26 +1,25 @@
 /*---------------------------------------------------------------------------*\
   =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+  \\      /  F ield         | foam-extend: Open Source CFD
    \\    /   O peration     |
-    \\  /    A nd           | Copyright held by original author
+    \\  /    A nd           | For copyright notice see file Copyright
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
-    This file is part of OpenFOAM.
+    This file is part of foam-extend.
 
-    OpenFOAM is free software; you can redistribute it and/or modify it
+    foam-extend 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
+    Free Software Foundation, either version 3 of the License, or (at your
     option) any later version.
 
-    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    foam-extend is distributed in the hope that it will be useful, but
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    WITHOUT ANY WARRANTY; without even the implied warranty of
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU
-    for more details.
+    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,
+    along with foam-extend.  If not, see <http://www.gnu.org/licenses/>.
-    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
 
 Class
     Foam::pengRobinson
@@ -42,7 +41,7 @@ SourceFiles
 Author
 Christian Lucas
 Institut für Thermodynamik
-Technische Universität Braunschweig
+Technische Universität Braunschweig 
 Germany
 
 \*---------------------------------------------------------------------------*/
@@ -53,14 +52,13 @@ Germany
 #include "specie.H"
 #include "autoPtr.H"
 
-
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
 namespace Foam
 {
 
 /*---------------------------------------------------------------------------*\
-                           Class perfectGas Declaration
+                           Class Peng Robinson Declaration
 \*---------------------------------------------------------------------------*/
 
 class pengRobinson
@@ -68,27 +66,30 @@ class pengRobinson
     public specie
 
 {
-
+    // private data
-protected:
+    //CL: data at critical point
-    // Protected data
     scalar pcrit_;
-    scalar Tcrit_;
+    scalar Tcrit_; 
     scalar azentricFactor_;
 
     //-Peng Robinson factors
-    scalar n_;
     scalar a0_;
-    mutable scalar b_;
+    scalar b_;
+    scalar n_;
 
     //CL: pow of constants b_ used in the code e.g. b2_=b*b;
-    mutable scalar b2_;
+    scalar b2_;
-    mutable scalar b3_;
+    scalar b3_;
-    mutable scalar b4_;
+    scalar b4_;
-    mutable scalar b5_;
+    scalar b5_;
+    scalar b6_;
 
     //CL: rhoMin and rhoMax are only used as boundaries for the bisection methode (see rho function)
-    scalar rhoMax_;
     scalar rhoMin_;
+    scalar rhoMax_;
+
+    //- Density @STD, initialise after a0, b!
+    scalar rhostd_;
 
     //CL: Variables to save the values of a, dadT and d2adT2 of the mixture
     //CL: Variables must corrected for changing temperatures
@@ -99,23 +100,19 @@ protected:
     //CL: save the temperature for which the save coefficients (amix,dadTmix,d2adT2mix) are correct
     mutable scalar TSave;
 
-    //- Density @STD, initialise after a0, b!
-    mutable scalar rhostd_;
-
     //Protected functions
     //CL: function updates the coefficients (aSave, daSave, d2aSave)
     inline void updateModelCoefficients(const  scalar T) const;
 
 public:
 
-
     // Constructors
 
         //- Construct from components
         inline pengRobinson
         (
-            const specie& sp
+	        const specie& sp
-        );
+	    );
 
         //- Construct from Istream
         pengRobinson(Istream&);
@@ -133,78 +130,84 @@ public:
         inline static autoPtr<pengRobinson> New(Istream& is);
 
     // Member functions
-        inline scalar rhostd()const;
-
-        //CL: Model coefficient a(T)
-        inline scalar a(const  scalar T)const;
-
-        //CL: temperature deriviative of model coefficient a(T)
-        inline scalar dadT(const  scalar T)const;
-
-        //CL: second order temperature deriviative of model coefficient a(T)
-        inline scalar d2adT2(const  scalar T)const;
 
         //Return Peng Robinson factors
-        inline scalar a0()const;
+        inline scalar a0() const;
 
-        inline scalar b()const;
+        inline scalar b() const;
 
-        inline scalar n()const;
+        inline scalar n() const;
 
-        //CL: return power of constants b_
+        inline scalar rhostd() const;
-        inline scalar b2()const;
 
-        inline scalar b3()const;
+        inline scalar rhoMin() const;
 
-        inline scalar b4()const;
+        inline scalar rhoMax() const;
 
-        inline scalar b5()const;
+        inline scalar Tcrit() const;
+
+        //CL: Model coefficient a(T)
+        inline scalar a(const scalar T) const;
+
+        //CL: temperature deriviative of model coefficient a(T)
+        inline scalar dadT(const scalar T) const;
+
+        //CL: second order temperature deriviative of model coefficient a(T)
+        inline scalar d2adT2(const scalar T) const;
 
         //CL: Equation of state
         inline scalar p(const scalar rho, const scalar T) const;
 
         //CL: first order derivatives
-        inline scalar dpdv(const scalar rho,const  scalar T) const;
+        inline scalar dpdv(const scalar rho, const scalar T) const;
 
         inline scalar dpdT(const scalar rho, const scalar T) const;
 
-        inline scalar dvdT(const scalar rho,const  scalar T) const;
+        inline scalar dvdT(const scalar rho, const scalar T) const;
 
         inline scalar dvdp(const scalar rho, const scalar T) const;
 
         inline scalar isobarExpCoef
         (
             const scalar rho,
-            const  scalar T
+            const scalar T
         ) const;
 
         inline scalar isothermalCompressiblity
         (
             const scalar rho,
-            const  scalar T
+            const scalar T
         ) const;
 
         //CL: Used for cv
         inline scalar integral_d2pdT2_dv
         (
             const scalar rho,
-            const  scalar T
+            const scalar T
-        ) const ;
+        ) const;
 
         //CL: second order derivatives, not Used At The Moment
-        inline scalar d2pdv2(const scalar rho,const  scalar T) const;
+        inline scalar d2pdv2(const scalar rho, const scalar T) const;
 
-        inline scalar d2pdT2(const scalar rho,const  scalar T) const;
+        inline scalar d2pdT2(const scalar rho, const scalar T) const;
 
-        inline scalar d2pdvdT(const scalar rho,const  scalar T) const;
+        inline scalar d2pdvdT(const scalar rho, const scalar T) const;
 
-        inline scalar d2vdT2(const scalar rho,const  scalar T) const;
+        inline scalar d2vdT2(const scalar rho, const scalar T) const;
 
         //CL: Used for internal Energy
-        inline scalar integral_p_dv(const scalar rho,const  scalar T) const;
+        inline scalar integral_p_dv
+        (
+            const scalar rho,
+            const  scalar T
+        ) const;
 
         //CL: Used for Entropy
-        inline scalar integral_dpdT_dv(const scalar rho,const  scalar T) const;
+        inline scalar integral_dpdT_dv
+        (
+            const scalar rho,
+            const  scalar T
+        ) const;
 
         //- Return density [kg/m^3]
         // rho0 is the starting point of the newton solver used to calculate rho
@@ -215,7 +218,7 @@ public:
             const scalar rho0
         ) const;
 
-        inline scalar rho(const scalar p,const  scalar T) const;
+        inline scalar rho(const scalar p, const scalar T) const;
 
         //- Return compressibility drho/dp at T=constant [s^2/m^2]
         inline scalar psi(const scalar rho, const scalar T) const;
@@ -239,11 +242,7 @@ public:
 
         inline void operator+=(const pengRobinson&);
 
-        /*
-        inline void operator-=(const pengRobinson&);
-
         inline void operator*=(const scalar);
-        */
 
 
     // Friend operators
@@ -260,6 +259,7 @@ public:
             const pengRobinson&
         );
 
+
     // Ostream Operator
 
         friend Ostream& operator<<(Ostream&, const pengRobinson&);

src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/pengRobinson/pengRobinsonI.H

@@ -57,15 +57,21 @@ inline pengRobinson::pengRobinson(const word& name, const pengRobinson& pr)
     pcrit_(pr.pcrit_),
     Tcrit_(pr.Tcrit_),
     azentricFactor_(pr.azentricFactor_),
-    n_(pr.n_),
     a0_(pr.a0_),
     b_(pr.b_),
+    n_(pr.n_),
     b2_(pr.b2_),
     b3_(pr.b3_),
     b4_(pr.b4_),
     b5_(pr.b5_),
-    TSave(0),
+    b6_(pr.b6_),
-    rhostd_(pr.rhostd_)
+    rhoMin_(pr.rhoMin_),
+    rhoMax_(pr.rhoMax_),
+    rhostd_(pr.rhostd_),
+    aSave(0.0), 
+    daSave(0.0), 
+    d2aSave(0.0),
+    TSave(0.0)
 {}
 
 
@@ -83,27 +89,45 @@ inline autoPtr<pengRobinson> pengRobinson::New(Istream& is)
 }
 
 
-// * * * * * * * * * * * * *  Member Functions  * * * * * * * * * * * //
+// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
 
-inline void pengRobinson::updateModelCoefficients(const scalar T)const
+inline scalar pengRobinson::rhostd() const
 {
-    aSave=a0_*pow(1+n_*(1-pow(T/Tcrit_,0.5)),2);
+    return rhostd_;
-    daSave=a0_*n_*(n_*sqrt(T/Tcrit_)-n_-1)*sqrt(T/Tcrit_)/T;
+}
-    d2aSave=a0_*n_*(n_+1)*sqrt(T/Tcrit_)/(2*pow(T,2));
+
+
+inline scalar pengRobinson::rhoMin() const
+{
+    return rhoMin_;
+}
+
+
+inline scalar pengRobinson::rhoMax() const
+{
+    return rhoMax_;
+}
+
+
+inline scalar pengRobinson::Tcrit() const
+{
+    return Tcrit_;
+}
+
+
+inline void pengRobinson::updateModelCoefficients(const scalar T) const
+{
+    aSave=a0_*pow(1 + n_*(1 - pow(T/Tcrit_, 0.5)), 2);
+    daSave=a0_*n_*(n_*sqrt(T/Tcrit_) - n_ - 1)*sqrt(T/Tcrit_)/T;
+    d2aSave=a0_*n_*(n_ + 1)*sqrt(T/Tcrit_)/(2*T*T);
 
     //CL: saving the temperature at which the coefficients are valid
     TSave=T;
 }
 
 
-inline scalar pengRobinson::rhostd()const
-{
-    return rhostd_;
-}
-
-
 //CL: Model coefficient a(T)
-inline scalar pengRobinson::a(const scalar T)const
+inline scalar pengRobinson::a(const scalar T) const
 {
     //CL: check if a has already been calculated for this temperature
     if(TSave==T)
@@ -120,7 +144,7 @@ inline scalar pengRobinson::a(const scalar T)const
 
 
 //CL: temperature deriviative of model coefficient a(T)
-inline scalar pengRobinson::dadT(const scalar T)const
+inline scalar pengRobinson::dadT(const scalar T) const
 {
     // check if a has already been calculated for this temperature
     if(TSave==T)
@@ -137,7 +161,7 @@ inline scalar pengRobinson::dadT(const scalar T)const
 
 
 //CL: second order temperature deriviative of model coefficient a(T)
-inline scalar pengRobinson::d2adT2(const scalar T)const
+inline scalar pengRobinson::d2adT2(const scalar T) const
 {
     // check if a has already been calculated for this temperature
     if(TSave==T)
@@ -153,50 +177,30 @@ inline scalar pengRobinson::d2adT2(const scalar T)const
 }
 
 
-inline scalar pengRobinson::a0()const
+inline scalar pengRobinson::a0() const
 {
     return a0_;
 }
 
 
-inline scalar pengRobinson::b()const
+inline scalar  pengRobinson::b() const
 {
     return b_;
 }
 
 
-inline scalar pengRobinson::n()const
+inline scalar pengRobinson::n() const
 {
     return n_;
 }
 
-//CL: pow of constant b() used in the code e.g. b2_=b*b;
-inline scalar pengRobinson::b2()const
-{
-    return b2_;
-}
-
-inline scalar pengRobinson::b3()const
-{
-    return b3_;
-}
-
-inline scalar pengRobinson::b4()const
-{
-    return b4_;
-}
-
-inline scalar pengRobinson::b5()const
-{
-    return b5_;
-}
 
 //returns the pressure for a given density and temperature
-inline scalar pengRobinson::p(const scalar rho,const scalar T) const
+inline scalar pengRobinson::p(const scalar rho, const scalar T) const
 {
     scalar Vm = this->W()/rho;
-
+    scalar Vm2 = Vm*Vm; 
-    return this->RR()*T/(Vm-b())-a(T)/(pow(Vm,2)+2*b()*Vm-b2());
+    return this->RR()*T/(Vm - b_) - a(T)/(Vm2 + 2*b_*Vm - b2_);
 }
 
 
@@ -206,20 +210,21 @@ inline scalar pengRobinson::dpdv(const scalar rho, const scalar T) const
 {
     scalar Vm = this->W()/rho;
     scalar Vm2 = Vm*Vm;
-    scalar Vm3 = Vm*Vm*Vm;
+    scalar Vm3 = Vm2*Vm;
+    scalar Vm4 = Vm3*Vm;
 
-    return(
+    return
-              2*a(T)*
+    (
-              (
+        2*a(T)*
-                  b3()-b2()*Vm-b()*Vm2+Vm3
+        (
-              )
+            b3_ - b2_*Vm - b_*Vm2 + Vm3
-              -this->RR()*T*
+        )
-              (
+      - this->RR()*T*
-                  b4()-4*b3()*Vm+2*b2()*Vm2
+        (
-                      +4*b()*Vm3+pow(Vm,4)
+            b4_ - 4*b3_*Vm + 2*b2_*Vm2 + 4*b_*Vm3 + Vm4
-              )
+        )
-          )
+    )
-          /(pow(b()-Vm,2)*pow(b2()-2*b()*Vm-Vm2,2));
+   /(pow(b_ - Vm, 2)*pow(b2_ - 2*b_*Vm - Vm2, 2));
 }
 
 
@@ -228,132 +233,166 @@ inline scalar pengRobinson::dpdv(const scalar rho, const scalar T) const
 inline scalar pengRobinson::dpdT(const scalar rho, const scalar T) const
 {
     scalar Vm = this->W()/rho;
-
+    scalar Vm2 = Vm*Vm;
-    return this->RR()/(Vm-b())-dadT(T)/(pow(Vm,2)+2*b()*Vm-b2());
+    return this->RR()/(Vm - b_) - dadT(T)/(Vm2 + 2*b_*Vm - b2_);
 }
 
 
 //Real  deviative dv/dT at constant pressure
 //by using implicit differentiation
 //(molar values)
-inline scalar pengRobinson::dvdT(const scalar rho,const scalar T) const
+inline scalar pengRobinson::dvdT(const scalar rho, const scalar T) const
 {
-    return (-1)*this->dpdT(rho,T)/this->dpdv(rho,T);
+    return -this->dpdT(rho, T)/this->dpdv(rho, T);
 }
 
 
+//Real  deviative dv/dp at constant temperature
 //(molar values)
-inline scalar pengRobinson::dvdp(const scalar rho,const scalar T)  const
+inline scalar pengRobinson::dvdp(const scalar rho, const scalar T)  const
 {
-    return 1/this->dpdv(rho,T);
+    return 1/this->dpdv(rho, T);
 }
 
 
-//(molar values)
 //needed to calculate the internal energy
-inline scalar pengRobinson::integral_p_dv(const scalar rho,const scalar T) const
+//(molar values)
+inline scalar pengRobinson::integral_p_dv
+(
+    const scalar rho,
+    const scalar T
+) const
 {
     scalar Vm = this->W()/rho;
+    scalar root2=pow(2, 0.5);
 
-    return -pow(2,0.5)*a(T)*log(b()*(1-pow(2,0.5))+Vm)/(4*b())+this->RR()*T*log(Vm-b())
+    return
-               +pow(2,0.5)*a(T)*log(b()*(pow(2,0.5)+1)+Vm)/(4*b());
+      - root2*a(T)*log(b_*(1-root2) + Vm)/(4*b_)
+      + this->RR()*T*log(Vm - b_)
+      + root2*a(T)*log(b_*(root2 + 1) + Vm)/(4*b_);
 }
 
 
+//needed to calculate the entropy
 //(molar values)
 //needed to calculate the entropy
-inline scalar pengRobinson::integral_dpdT_dv(const scalar rho,const scalar T) const
+inline scalar pengRobinson::integral_dpdT_dv
+(
+    const scalar rho,
+    const scalar T
+) const
 {
     scalar Vm = this->W()/rho;
-
+    scalar root2=pow(2, 0.5);
-    return -pow(2,0.5)*dadT(T)*log(b()*(1-pow(2,0.5))+Vm)/(4*b())
+    return
-        +this->RR()*log(Vm-b())+pow(2,0.5)*dadT(T)*log(b()*(pow(2,0.5)+1)+Vm)/(4*b());
+      - root2*dadT(T)*log(b_*(1 - root2) + Vm)/(4*b_)
+      + this->RR()*log(Vm - b_) + root2*dadT(T)*log(b_*(root2 + 1) + Vm)/(4*b_);
 }
 
 
 //(molar values)
-inline scalar pengRobinson::d2pdT2(const scalar rho,const scalar T) const
+inline scalar pengRobinson::d2pdT2(const scalar rho, const scalar T) const
-{
-    scalar Vm = this->W()/rho;
-
-    return -d2adT2(T)/(pow(Vm,2)+2*b()*Vm-b2());
-}
-
-
-//(molar values)
-inline scalar pengRobinson::d2pdv2(const scalar rho,const scalar T) const
 {
     scalar Vm = this->W()/rho;
     scalar Vm2 = Vm*Vm;
-    scalar Vm3 = Vm*Vm*Vm;
+    return -d2adT2(T)/(Vm2 + 2*b_*Vm-b2_);
-    scalar Vm4 = Vm*Vm*Vm*Vm;
+}
-    scalar Vm5 = Vm*Vm*Vm*Vm*Vm;
+
+
+//(molar values)
+inline scalar pengRobinson::d2pdv2(const scalar rho, const scalar T) const
+{
+    scalar Vm = this->W()/rho;
+    scalar Vm2 = Vm*Vm;
+    scalar Vm3 = Vm2*Vm;
+    scalar Vm4 = Vm3*Vm;
+    scalar Vm5 = Vm4*Vm;
+    scalar Vm6 = Vm5*Vm;
 
     return 2*
-           (
+    (
-               a(T)*
+        a(T)*
-               (
+        (
-                   5*b5()-9*b4()*Vm+4*b2()*Vm3+3*b()*Vm4-3*Vm5
+            5*b5_ - 9*b4_*Vm + 4*b2_*Vm3 + 3*b_*Vm4 - 3*Vm5
-               )
+        )
-               -this->RR()*T*
+      - this->RR()*T*
-               (
+        (
-                   pow(b(),6)-6*b5()*Vm+9*b4()*Vm2+4*b3()*Vm3
+            b6_ - 6*b5_*Vm + 9*b4_*Vm2 + 4*b3_*Vm3 - 9*b2_*Vm4 - 6*b_*Vm5 - Vm6
-                       -9*b2()*Vm4-6*b()*Vm5-pow(Vm,6)
+        )
-               )
+    )
-           )
+   /(pow(b_ - Vm, 3)*pow(b2_ - 2*b_*Vm - Vm2, 3));
-           /(pow(b()-Vm,3)*pow(b2()-2*b()*Vm-Vm2,3));
 }
 
 
 //(molar values)
 //using second order implicit differentiation
-inline scalar pengRobinson::d2vdT2(const scalar rho, const scalar T) const
+inline scalar pengRobinson::d2vdT2
+(
+    const scalar rho,
+    const scalar T
+) const
 {
-    return
+    scalar dpdT2=this->dpdT(rho, T)*this->dpdT(rho, T);
+    scalar dpdv2=this->dpdv(rho, T)*this->dpdv(rho, T);
+    scalar dpdv3=dpdv2*this->dpdv(rho, T);
+
+    return 
     -(
-          pow(this->dpdT(rho,T),2)*this->d2pdv2(rho,T)
+          dpdT2*this->d2pdv2(rho, T)
-        + pow(this->dpdv(rho,T),2)*this->d2pdT2(rho,T)
+        + dpdv2*this->d2pdT2(rho, T)
-        - 2*this->dpdv(rho,T)*this->dpdT(rho,T)*this->d2pdvdT(rho,T)
+        - 2*this->dpdv(rho, T)*this->dpdT(rho, T)*this->d2pdvdT(rho, T)
     )
-    /(pow(this->dpdv(rho,T),3));
+    /dpdv3;
 }
 
 
 //(molar values)
-inline scalar pengRobinson::d2pdvdT(const scalar rho, const scalar T) const
+inline scalar pengRobinson::d2pdvdT
+(
+    const scalar rho,
+    const scalar T
+) const
 {
     scalar Vm = this->W()/rho;
     scalar Vm2 = Vm*Vm;
-    scalar Vm3 = Vm*Vm*Vm;
+    scalar Vm3 = Vm2*Vm;
-
+    scalar Vm4 = Vm3*Vm;
-    return(
+  
-              2*dadT(T)*
+    return
-              (
+    (
-                  b3()-b2()*Vm-b()*Vm2+Vm3
+        2*dadT(T)*(b3_ - b2_*Vm - b_*Vm2 + Vm3)
-              )
+      - this->RR()*(b4_ - 4*b3_*Vm + 2*b2_*Vm2 + 4*b_*Vm3 + Vm4)
-              -this->RR()*
+    )
-              (
+   /(pow(b_ - Vm, 2)*pow(b2_ - 2*b_*Vm - Vm2, 2));
-                  b4()-4*b3()*Vm+2*b2()*Vm2
-                      +4*b()*Vm3+pow(Vm,4)
-              )
-          )
-          /(pow(b()-Vm,2)*pow(b2()-2*b()*Vm-Vm2,2));
 }
 
 
 // the result of this intergal is needed for the nasa based cp polynomial
 //(molar values)
-inline scalar pengRobinson::integral_d2pdT2_dv(const scalar rho,const scalar T) const
+inline scalar pengRobinson::integral_d2pdT2_dv
+(
+    const scalar rho,
+    const scalar T
+) const
 {
     scalar Vm = this->W()/rho;
+    scalar root2=pow(2, 0.5);
 
-    return pow(2,0.5)*d2adT2(T)*log(b()*(pow(2,0.5)+1)+Vm)/(4*b())-pow(2,0.5)*d2adT2(T)*log(b()*(1-pow(2,0.5))+Vm)/(4*b());
+    return root2*d2adT2(T)/(4*b_)
+        *(log(b_*(root2 + 1) + Vm) - log(b_*(1 - root2) + Vm));
+
+      //  root2*d2adT2(T)*log(b_*(root2 + 1) + Vm)/(4*b_)
+      //- root2*d2adT2(T)*log(b_*(1 - root2)+Vm)/(4*b_);
 }
 
 
 //Isobar expansion Coefficent beta = 1/v (dv/dt) at constant p
 //(molar values)
-inline scalar pengRobinson::isobarExpCoef(const scalar rho,const scalar T)  const
+inline scalar pengRobinson::isobarExpCoef
+(
+    const scalar rho,
+    const scalar T
+) const
 {
     return this->dvdT(rho, T)*rho/this->W();
 }
@@ -361,31 +400,35 @@ inline scalar pengRobinson::isobarExpCoef(const scalar rho,const scalar T)  cons
 
 //isothemal compressiblity kappa (not Thermal conductivity)
 //(molar values)
-inline scalar pengRobinson::isothermalCompressiblity(const scalar rho,const scalar T) const
+inline scalar pengRobinson::isothermalCompressiblity
+(
+    const scalar rho,
+    const scalar T
+) const
 {
     return this->isobarExpCoef(rho, T)/this->dpdT(rho, T);
     //CL: also possible
-    //CL: return -this->dvdp(rho,T)*rho/this->W();
+    //CL: return -this->dvdp(rho, T)*rho/this->W();
 }
 
 
 //- Return density [kg/m^3]
-inline scalar pengRobinson::rho(
+inline scalar pengRobinson::rho
+(
     const scalar p,
     const scalar T,
     const scalar rho0
 ) const
 {
-
    scalar molarVolumePrevIteration;
    scalar molarVolume;
-   label iter=0;
+   label iter = 0;
-   label maxIter_=400;
+   label maxIter_ = 400;
-   scalar tol_=1e-8;
+   scalar tol_ = 1e-8;
-   scalar rho1=rhoMax_;
+   scalar rho1 = rhoMax_;
-   scalar rho2=rhoMin_;
+   scalar rho2 = rhoMin_;
 
-   molarVolume=this->W()/rho0;
+   molarVolume = this->W()/rho0;
 
    do
    {
@@ -394,24 +437,24 @@ inline scalar pengRobinson::rho(
        label i=0;
        do
        {
+           //CL: modified Newton solver
            molarVolume=molarVolumePrevIteration
                -(
                    (this->p((this->W()/molarVolumePrevIteration),T) - p)
-                   /(this->dpdv((this->W()/molarVolumePrevIteration),T))
+                   /(this->dpdv((this->W()/molarVolumePrevIteration), T))
                )/pow(2,i);
 
            i++;
            if (i>8)
            {
                //CL: using bisection methode as backup,
-               //CL: solution must be between rho=0.001 to rho=1500;
+               //CL: solution must be between rhoMin_ to rhoMax
-               //CL: if not, change rhoMax_ and rhoMin_
                for(i=0; i<200; i++)
                {
-                   scalar f1 = this->p(rho1,T) - p;
+                   scalar f1 = this->p(rho1, T) - p;
-                   scalar f2 = this->p(rho2,T) - p;
+                   scalar f2 = this->p(rho2, T) - p;
                    scalar rho3 = (rho1 + rho2)/2;
-                   scalar f3 = this->p(rho3,T) - p;
+                   scalar f3 = this->p(rho3, T) - p;
 
                    if ((f2 < 0 && f3 > 0) || (f2 > 0 && f3 < 0))
                    {
@@ -441,15 +484,16 @@ inline scalar pengRobinson::rho(
        }
        while
        (
-           mag(this->p((this->W()/molarVolume),T) - p)
+           mag(this->p((this->W()/molarVolume), T) - p)
-         > mag(this->p((this->W()/molarVolumePrevIteration),T) - p)
+         > mag(this->p((this->W()/molarVolumePrevIteration), T) - p)
        );
 
        if (iter++ > maxIter_)
        {
            FatalErrorIn
            (
-               "inline scalar pengRobinson::rho(const scalar p, const scalar T, const scalar rho0) const "
+               "inline scalar pengRobinson::rho"
+               "(const scalar p, const scalar T, const scalar rho0) const "
            )   << "Maximum number of iterations exceeded"
                << abort(FatalError);
        }
@@ -461,47 +505,46 @@ inline scalar pengRobinson::rho(
 
 
 //- Return density [kg/m^3]on
-inline scalar pengRobinson::rho(const scalar p,const scalar T) const
+inline scalar pengRobinson::rho(const scalar p, const scalar T) const
 {
-    // using perfect gas equation as starting point
+    //CL: using perfect gas equation as starting point
-    return rho(p,T,p/(this->R()*T));
+    return rho(p, T, p/(this->R()*T));
 }
 
 
 //- Return compressibility drho/dp at T=constant [s^2/m^2]
 inline scalar pengRobinson::psi(const scalar rho, const scalar T) const
 {
-    return -this->dvdp(rho,T)*pow(rho,2)/this->W();
+    return -this->dvdp(rho, T)*rho*rho/this->W();
 }
 
 
 //- Return compression factor []
-inline scalar pengRobinson::Z( const scalar p, const scalar T,const scalar rho0) const
+inline scalar pengRobinson::Z
+(
+    const scalar p,
+    const scalar T,
+    const scalar rho0
+) const
 {
-    return p/(this->R()*T*this->rho(p,T,rho0));
+    return p/(this->R()*T*this->rho(p, T, rho0));
 }
 
 
 // * * * * * * * * * * * * * * * Member Operators  * * * * * * * * * * * * * //
 
-
 inline void pengRobinson::operator+=(const pengRobinson& pr)
 {
     specie::operator+=(pr);
 }
 
-/*
-inline void pengRobinson::operator-=(const pengRobinson& pr)
-{
-    specie::operator-=(pr);
-}
 
 inline void pengRobinson::operator*=(const scalar s)
 {
     specie::operator*=(s);
 }
 
-*/
+
 // * * * * * * * * * * * * * * * Friend Operators  * * * * * * * * * * * * * //
 
 inline pengRobinson operator+
@@ -517,6 +560,7 @@ inline pengRobinson operator+
     );
 }
 
+
 inline pengRobinson operator*
 (
     const scalar s,
@@ -526,6 +570,7 @@ inline pengRobinson operator*
     return pengRobinson(s*static_cast<const specie&>(pr));
 }
 
+
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
 } // End namespace Foam

src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/redlichKwong/redlichKwong.C

@@ -36,53 +36,52 @@ Germany
 #include "redlichKwong.H"
 #include "IOstreams.H"
 
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-namespace Foam
-{
-
 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
 
-redlichKwong::redlichKwong(Istream& is)
+Foam::redlichKwong::redlichKwong(Istream& is)
 :
     specie(is),
     pcrit_(readScalar(is)),
     Tcrit_(readScalar(is)),
-    a_(0.42748*pow(this->RR(),2)*pow(Tcrit_,2.5)/pcrit_),
+    a_(0.42748*pow(this->RR(), 2)*pow(Tcrit_, 2.5)/pcrit_),
     b_(0.08664*this->RR()*Tcrit_/pcrit_),
-    //CL: Only uses the default values
     b2_(pow(b_,2)),
     b3_(pow(b_,3)),
     b5_(pow(b_,5)),
-    rhoMax_(1500),
+    //CL: Only uses the default values
     rhoMin_(1e-3),
+    rhoMax_(1500),
     // Starting GUESS for the density by ideal gas law
     rhostd_(this->rho(this->Pstd(), this->Tstd(), this->Pstd()/(this->Tstd()*this->R())))
 {
     is.check("redlichKwong::redlichKwong(Istream& is)");
 }
+
 //CL: Constructed needed in OpenFOAM 2.x.x
 //CL: Code works fine, but compiling problem in OpenFOAM 1.6.ext
 //CL:  because specie has no constructor using dict
 /*
-redlichKwong::redlichKwong(const dictionary& dict)
+Foam::redlichKwong::redlichKwong(const dictionary& dict)
 :
     specie(dict),
     pcrit_(readScalar(dict.subDict("equationOfState").lookup("pCritical"))),
     Tcrit_(readScalar(dict.subDict("equationOfState").lookup("TCritical"))),
-    //CL: rhoMin and rhoMax are only used as boundaries for the bisection methode (see rho function)
-    //CL: important: rhoMin and rhoMax are not used as boundary for the newton solver
-    //CL: therefore, rho can be larger than rhoMax and smaller than rhoMin
-    rhoMin_(dict.subDict("equationOfState").lookupOrDefault("rhoMin",1e-3)),
-    rhoMax_(dict.subDict("equationOfState").lookupOrDefault("rhoMax",1500)),
     a_(0.42748*pow(this->RR(),2)*pow(Tcrit_,2.5)/pcrit_),
     b_(0.08664*this->RR()*Tcrit_/pcrit_),
     b2_(pow(b_,2)),
     b3_(pow(b_,3)),
     b5_(pow(b_,5)),
+    //CL: rhoMin and rhoMax are only used as boundaries for the bisection methode (see rho function)
+    //CL: important: rhoMin and rhoMax are not used as boundary for the newton solver
+    //CL: therefore, rho can be larger than rhoMax and smaller than rhoMin
+    rhoMin_(dict.subDict("equationOfState").lookupOrDefault("rhoMin",1e-3)),
+    rhoMax_(dict.subDict("equationOfState").lookupOrDefault("rhoMax",1500)),
     // Starting GUESS for the density by ideal gas law
-    rhostd_(this->rho(Pstd, Tstd, Pstd/(Tstd*this->R())))
+    rhostd_(this->rho(this->Pstd(), this->Tstd(), this->Pstd()/(this->Tstd()*this->R())))
-{}
+{ 
+    is.check("redlichKwong::redlichKwong(Istream& is)");
+}
+
 
 // * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
 
@@ -100,9 +99,10 @@ void Foam::redlichKwong::write(Ostream& os) const
 }
 */
 
+
 // * * * * * * * * * * * * * * * Ostream Operator  * * * * * * * * * * * * * //
 
-Ostream& operator<<(Ostream& os, const redlichKwong& rk)
+Foam::Ostream& Foam::operator<<(Ostream& os, const redlichKwong& rk)
 {
     os  << static_cast<const specie&>(rk)<< token::SPACE
         << rk.pcrit_ << tab<< rk.Tcrit_;
@@ -111,8 +111,5 @@ Ostream& operator<<(Ostream& os, const redlichKwong& rk)
     return os;
 }
 
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-} // End namespace Foam
 
 // ************************************************************************* //

src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/redlichKwong/redlichKwong.H

@@ -59,29 +59,26 @@ class redlichKwong
 :
     public specie
 {
-
+    // private data
-
+    //CL: data at critical point
-protected:
-
-    // Protected data
     scalar pcrit_;
-    scalar Tcrit_;
+    scalar Tcrit_; 
 
-    //-Redlich Kwong factors
+    //CL: Redlich Kwong factors
-    mutable scalar a_;
+    scalar a_;
-    mutable scalar b_;
+    scalar b_;
 
     //CL: pow of constants b_ used in the code e.g. b2_=b*b;
-    mutable scalar b2_;
+    scalar b2_;
-    mutable scalar b3_;
+    scalar b3_;
-    mutable scalar b5_;
+    scalar b5_;
 
     //CL: rhoMin and rhoMax are only used as boundaries for the bisection methode (see rho function)
-    scalar rhoMax_;
     scalar rhoMin_;
+    scalar rhoMax_;
 
     //- Density @STD, initialise after a, b!
-    mutable scalar rhostd_;
+    scalar rhostd_;
 
 public:
 
@@ -110,33 +107,32 @@ public:
 
     // Member functions
 
-        inline scalar rhostd() const;
-
         //Return Redlich Kwong factors
         inline scalar a() const;
 
         inline scalar b() const;
 
+        inline scalar rhostd() const;
+
+        inline scalar rhoMin() const;
+
+        inline scalar rhoMax() const;
+
+        inline scalar Tcrit() const;
+
+        //CL: Equation of state
         inline scalar p(const scalar rho, const scalar T) const;
 
-        //CL: return power of constants b_
+        //CL: first order derivatives
-        inline scalar b2()const;
+        inline scalar dpdv(const scalar rho, const scalar T) const;
-
-        inline scalar b3()const;
-
-        inline scalar b5()const;
-
-
-        //first order derivatives
-        inline scalar dpdv(const scalar rho, const  scalar T) const;
 
         inline scalar dpdT(const scalar rho, const scalar T) const;
 
-        inline scalar dvdT(const scalar rho, const  scalar T) const;
+        inline scalar dvdT(const scalar rho, const scalar T) const;
 
         inline scalar dvdp(const scalar rho, const scalar T) const;
 
-        inline scalar isobarExpCoef(const scalar rho, const  scalar T) const;
+        inline scalar isobarExpCoef(const scalar rho, const scalar T) const;
 
         inline scalar isothermalCompressiblity
         (
@@ -144,7 +140,7 @@ public:
             const scalar T
         ) const;
 
-        // Used for cv
+        //CL: Used for cv
         inline scalar integral_d2pdT2_dv
         (
             const scalar rho,
@@ -157,14 +153,14 @@ public:
         // Used for Entropy
         inline scalar integral_dpdT_dv(const scalar rho, const scalar T) const;
 
-        // second order derivatives, not Used At The Moment
+        //CL: second order derivatives, not Used At The Moment
         inline scalar d2pdv2(const scalar rho, const scalar T) const;
 
         inline scalar d2pdT2(const scalar rho, const scalar T) const;
 
         inline scalar d2pdvdT(const scalar rho, const scalar T) const;
 
-        inline scalar d2vdT2(const scalar rho, const  scalar T) const;
+        inline scalar d2vdT2(const scalar rho, const scalar T) const;
 
         //- Return density [kg/m^3]
         // rho0 is the starting point of the newton solver used to calculate rho
@@ -198,10 +194,9 @@ public:
     // Member operators
 
         inline void operator+=(const redlichKwong&);
-/*
+
-        inline void operator-=(const redlichKwong&);
         inline void operator*=(const scalar);
-*/
+
 
     // Friend operators
 
@@ -217,6 +212,7 @@ public:
             const redlichKwong&
         );
 
+
     // Ostream Operator
 
         friend Ostream& operator<<(Ostream&, const redlichKwong&);

src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/redlichKwong/redlichKwongI.H

@@ -60,6 +60,8 @@ inline redlichKwong::redlichKwong(const word& name, const redlichKwong& rk)
     b2_(rk.b2_),
     b3_(rk.b3_),
     b5_(rk.b5_),
+    rhoMin_(rk.rhoMin_),
+    rhoMax_(rk.rhoMax_),
     rhostd_(rk.rhostd_)
 {}
 
@@ -80,39 +82,41 @@ inline autoPtr<redlichKwong> redlichKwong::New(Istream& is)
 
 // * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
 
-inline scalar redlichKwong::rhostd()const
+inline scalar redlichKwong::rhostd() const
 {
     return rhostd_;
 }
 
 
-inline scalar redlichKwong::a()const
+inline scalar redlichKwong::rhoMin() const
+{
+    return rhoMin_;
+}
+
+
+inline scalar redlichKwong::rhoMax() const
+{
+    return rhoMax_;
+}
+
+
+inline scalar redlichKwong::Tcrit() const
+{
+    return Tcrit_;
+}
+
+
+inline scalar redlichKwong::a() const
 {
     return a_;
 }
 
 
-inline scalar redlichKwong::b()const
+inline scalar redlichKwong::b() const
 {
     return b_;
 }
 
-inline scalar redlichKwong::b2()const
-{
-    return b2_;
-}
-
-inline scalar redlichKwong::b3()const
-{
-    return b3_;
-}
-
-inline scalar redlichKwong::b5()const
-{
-    return b5_;
-}
-
-
 
 //returns the pressure for a given density and temperature
 inline scalar redlichKwong::p(const scalar rho, const scalar T) const
@@ -122,16 +126,19 @@ inline scalar redlichKwong::p(const scalar rho, const scalar T) const
 }
 
 
-//Real deviative dp/dv at constant temperature
+//Real deviative dp/dv at constant temperature 
 //(molar values)
 inline scalar redlichKwong::dpdv(const scalar rho, const scalar T) const
 {
     scalar Vm = this->W()/rho;
     scalar Vm2 = Vm*Vm;
+    scalar Vm3 = Vm2*Vm;
 
-    return (a_*(b3() - 3*b_*Vm2 + 2*pow(Vm,3))
+    return
-    - this->RR()*pow(T,1.5)*Vm2*(b2() + 2*b_*Vm + Vm2))
+    (
-        /(sqrt(T)*Vm2*pow((b_ + Vm),2)*pow( (b_ - Vm),2));
+        a_*(b3_ - 3*b_*Vm2 + 2*Vm3) - this->RR()*pow(T, 1.5)*Vm2*(b2_ + 2*b_*Vm + Vm2)
+    )
+   /(sqrt(T)*Vm2*pow((b_ + Vm), 2)*pow( (b_ - Vm), 2));
 }
 
 
@@ -140,7 +147,7 @@ inline scalar redlichKwong::dpdv(const scalar rho, const scalar T) const
 inline scalar redlichKwong::dpdT(const scalar rho, const scalar T) const
 {
     scalar Vm = this->W()/rho;
-    return 0.5*a_/(pow(T,1.5)*Vm*(b_ + Vm))-this->RR()/(b_ - Vm);
+    return 0.5*a_/(pow(T, 1.5)*Vm*(b_ + Vm))-this->RR()/(b_ - Vm);
 }
 
 
@@ -149,7 +156,7 @@ inline scalar redlichKwong::dpdT(const scalar rho, const scalar T) const
 //(molar values)
 inline scalar redlichKwong::dvdT(const scalar rho, const scalar T) const
 {
-    return -this->dpdT(rho,T)/this->dpdv(rho,T);
+    return -this->dpdT(rho, T)/this->dpdv(rho, T);
 }
 
 
@@ -157,7 +164,7 @@ inline scalar redlichKwong::dvdT(const scalar rho, const scalar T) const
 //(molar values)
 inline scalar redlichKwong::dvdp(const scalar rho, const scalar T)  const
 {
-    return 1/this->dpdv(rho,T);
+    return 1/this->dpdv(rho, T);
 }
 
 
@@ -170,9 +177,8 @@ inline scalar redlichKwong::integral_p_dv
 ) const
 {
     scalar Vm = this->W()/rho;
-    return this->RR()*T*log(Vm - b_)
+    return this->RR()*T*log(Vm - b_) + a_/(b_*sqrt(T))*(log(b_ + Vm) - log(Vm));
-        + (a_*log(b_ + Vm))/(b_*sqrt(T))
+    //return this->RR()*T*log(Vm - b_) + (a_*log(b_ + Vm))/(b_*sqrt(T)) - (a_*log(Vm))/(b_*sqrt(T));
-        - (a_*log(Vm))/(b_*sqrt(T));
 }
 
 
@@ -185,9 +191,8 @@ inline scalar redlichKwong::integral_dpdT_dv
 ) const
 {
     scalar Vm = this->W()/rho;
-    return this->RR()*log(Vm - b_)
+    return this->RR()*log(Vm - b_) - a_/(2*b_*pow(T, 1.5))*(log(b_ + Vm) - log(Vm));
-        -(a_*log(b_ + Vm))/(2*b_*pow(T,1.5))
+    //return this->RR()*log(Vm - b_) - (a_*log(b_ + Vm))/(2*b_*T15_) + (a_*log(Vm))/(2*b_*T15_);
-        +(a_*log(Vm))/(2*b_*pow(T,1.5));
 }
 
 
@@ -195,7 +200,7 @@ inline scalar redlichKwong::integral_dpdT_dv
 inline scalar redlichKwong::d2pdT2(const scalar rho, const scalar T) const
 {
     scalar Vm = this->W()/rho;
-    return -0.75*a_/(pow(T,2.5)*Vm*(b_ + Vm));
+    return -0.75*a_/(pow(T, 2.5)*Vm*(b_ + Vm));
 }
 
 
@@ -204,36 +209,37 @@ inline scalar redlichKwong::d2pdv2(const scalar rho, const scalar T) const
 {
     scalar Vm = this->W()/rho;
     scalar Vm2 = Vm*Vm;
-    scalar Vm3 = Vm*Vm*Vm;
+    scalar Vm3 = Vm2*Vm;
+    scalar Vm4 = Vm3*Vm;
+    scalar Vm5 = Vm4*Vm;
 
     return
     (
-        2*(
+        2*
-            a_*(
+        (
-                b5()-3*b3()*Vm2
+            a_*(b5_ - 3*b3_*Vm2 - b2_*Vm3 + 6*b_*Vm4 - 3*Vm5)
-                - b2()*Vm3
+          + this->RR()*pow(T, 1.5)*Vm3*(b3_ + 3*b2_*Vm + 3*b_*Vm2 + Vm3)
-                + 6*b_*pow(Vm,4)-3*pow(Vm,5)
-            )
-            + this->RR()*pow(T,1.5)*Vm3*(b3()
-            + 3*b2()*Vm
-            + 3*b_*Vm2+Vm3)
         )
-        /(sqrt(T)*Vm3*pow((b_ + Vm),3)*pow(Vm-b_,3))
+        /(sqrt(T)*Vm3*pow((b_ + Vm), 3)*pow(Vm - b_, 3))
     );
 }
 
 
 //(molar values)
-//using second Order implicit differentiation
+//using second order implicit differentiation
 inline scalar redlichKwong::d2vdT2(const scalar rho, const scalar T) const
 {
-    return
+    scalar dpdT2=this->dpdT(rho, T)*this->dpdT(rho, T);
+    scalar dpdv2=this->dpdv(rho, T)*this->dpdv(rho, T);
+    scalar dpdv3=dpdv2*this->dpdv(rho, T);
+
+    return 
     -(
-          pow(this->dpdT(rho,T),2)*this->d2pdv2(rho,T)
+          dpdT2*this->d2pdv2(rho, T)
-        + pow(this->dpdv(rho,T),2)*this->d2pdT2(rho,T)
+        + dpdv2*this->d2pdT2(rho, T)
-        - 2*this->dpdv(rho,T)*this->dpdT(rho,T)*this->d2pdvdT(rho,T)
+        - 2*this->dpdv(rho, T)*this->dpdT(rho, T)*this->d2pdvdT(rho, T)
     )
-    /(pow(this->dpdv(rho,T),3));
+    /dpdv3;
 }
 
 
@@ -242,13 +248,18 @@ inline scalar redlichKwong::d2pdvdT(const scalar rho, const scalar T) const
 {
     scalar Vm = this->W()/rho;
     scalar Vm2 = Vm*Vm;
-
+    scalar Vm3 = Vm2*Vm;
+    scalar T15_ = pow(T, 1.5);
+    
     return
-    -(0.5*(
+    -(
-        a_*(b3() - 3*b_*Vm2 + 2*pow(Vm,3))
+        0.5*
-      + 2*this->RR()*pow(T,1.5)*Vm2*(b2() + 2*b_*Vm + Vm2)
+        (
-    ))
+            a_*(b3_ - 3*b_*Vm2 + 2*Vm3)
-    /(pow(T,1.5)*Vm2*pow(b_ + Vm,2)*pow(b_ - Vm,2));
+          + 2*this->RR()*T15_*Vm2*(b2_ + 2*b_*Vm + Vm2)
+        )
+    )
+    /(T15_*Vm2*pow(b_ + Vm, 2)*pow(b_ - Vm, 2));
 }
 
 
@@ -260,9 +271,9 @@ inline scalar redlichKwong::integral_d2pdT2_dv
     const scalar T
 ) const
 {
+    scalar T25_=pow(T,2.5);
     scalar Vm = this->W()/rho;
-    return 0.75*a_*log(b_  +  Vm)/(pow(T,2.5)*b_)
+    return 0.75*a_*log(b_  +  Vm)/(T25_*b_) - 0.75*a_*log(Vm)/(T25_*b_);
-        - 0.75*a_*log(Vm)/(pow(T,2.5)*b_);
 }
 
 
@@ -299,16 +310,15 @@ inline scalar redlichKwong::rho
     const scalar rho0
 ) const
 {
-
    scalar molarVolumePrevIteration;
    scalar molarVolume;
-   label iter=0;
+   label iter = 0;
-   label maxIter_=400;
+   label maxIter_ = 400;
-   scalar tol_=1e-8;
+   scalar tol_ = 1e-8;
-   scalar rho1=rhoMax_;
+   scalar rho1 = rhoMax_;
-   scalar rho2=rhoMin_;
+   scalar rho2 = rhoMin_;
 
-   molarVolume=this->W()/rho0;
+   molarVolume = this->W()/rho0;
 
    do
    {
@@ -321,7 +331,7 @@ inline scalar redlichKwong::rho
            molarVolume=molarVolumePrevIteration
                -(
                    (this->p((this->W()/molarVolumePrevIteration),T) - p)
-                   /(this->dpdv((this->W()/molarVolumePrevIteration),T))
+                   /(this->dpdv((this->W()/molarVolumePrevIteration), T))
                )/pow(2,i);
 
            i++;
@@ -331,10 +341,10 @@ inline scalar redlichKwong::rho
                //CL: solution must be between rhoMin_ to rhoMax
                for(i=0; i<200; i++)
                {
-                   scalar f1 = this->p(rho1,T) - p;
+                   scalar f1 = this->p(rho1, T) - p;
-                   scalar f2 = this->p(rho2,T) - p;
+                   scalar f2 = this->p(rho2, T) - p;
                    scalar rho3 = (rho1 + rho2)/2;
-                   scalar f3 = this->p(rho3,T) - p;
+                   scalar f3 = this->p(rho3, T) - p;
 
                    if ((f2 < 0 && f3 > 0) || (f2 > 0 && f3 < 0))
                    {
@@ -364,15 +374,16 @@ inline scalar redlichKwong::rho
        }
        while
        (
-           mag(this->p((this->W()/molarVolume),T) - p)
+           mag(this->p((this->W()/molarVolume), T) - p)
-         > mag(this->p((this->W()/molarVolumePrevIteration),T) - p)
+         > mag(this->p((this->W()/molarVolumePrevIteration), T) - p)
        );
 
        if (iter++ > maxIter_)
        {
            FatalErrorIn
            (
-               "inline scalar redlichKwong::rho(const scalar p, const scalar T, const scalar rho0) const "
+               "inline scalar redlichKwong::rho"
+               "(const scalar p, const scalar T, const scalar rho0) const "
            )   << "Maximum number of iterations exceeded"
                << abort(FatalError);
        }
@@ -383,18 +394,18 @@ inline scalar redlichKwong::rho
 }
 
 
-//- Return density [kg/m^3]on
+//- Return density [kg/m^3]
 inline scalar redlichKwong::rho(const scalar p, const scalar T) const
 {
     // using perfect gas equation as starting point
-    return rho(p,T,p/(this->R()*T));
+    return rho(p, T, p/(this->R()*T));
 }
 
 
 //- Return compressibility drho/dp at T=constant [s^2/m^2]
 inline scalar redlichKwong::psi(const scalar rho, const scalar T) const
 {
-    return -this->dvdp(rho,T)*pow(rho,2)/this->W();
+    return -this->dvdp(rho, T)*rho*rho/this->W();
 }
 
 
@@ -406,33 +417,25 @@ inline scalar redlichKwong::Z
     const scalar rho0
 ) const
 {
-    return p/(this->R()*T*this->rho(p,T,rho0));
+    return p/(this->R()*T*this->rho(p, T, rho0));
 }
 
 
 // * * * * * * * * * * * * * * * Member Operators  * * * * * * * * * * * * * //
 
-
 inline void redlichKwong::operator+=(const redlichKwong& rk)
 {
     specie::operator+=(rk);
 }
 
-/*
-inline void redlichKwong::operator-=(const redlichKwong& rk)
-{
-    specie::operator-=(rk);
-}
-
 
 inline void redlichKwong::operator*=(const scalar s)
 {
     specie::operator*=(s);
 }
 
-*/
-// * * * * * * * * * * * * * * * Friend Operators  * * * * * * * * * * * * * //
 
+// * * * * * * * * * * * * * * * Friend Operators  * * * * * * * * * * * * * //
 
 inline redlichKwong operator+
 (
@@ -447,6 +450,7 @@ inline redlichKwong operator+
     );
 }
 
+
 inline redlichKwong operator*
 (
     const scalar s,
@@ -456,6 +460,7 @@ inline redlichKwong operator*
     return redlichKwong(s*static_cast<const specie&>(rk));
 }
 
+
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
 } // End namespace Foam

src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/soaveRedlichKwong/soaveRedlichKwong.C

@@ -36,34 +36,33 @@ Germany
 #include "soaveRedlichKwong.H"
 #include "IOstreams.H"
 
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-namespace Foam
-{
-
 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
 
-soaveRedlichKwong::soaveRedlichKwong(Istream& is)
+Foam::soaveRedlichKwong::soaveRedlichKwong(Istream& is)
 :
     specie(is),
     pcrit_(readScalar(is)),
     Tcrit_(readScalar(is)),
     azentricFactor_(readScalar(is)),
-    n_(0.48508+1.55171*azentricFactor_-0.15613*pow(azentricFactor_,2)),
+    a0_(0.42747*pow(this->RR(), 2)*pow(Tcrit_, 2)/pcrit_),
-    a0_(0.42747*pow(this->RR(),2)*pow(Tcrit_,2)/(pcrit_)),
     b_(0.08664*this->RR()*Tcrit_/pcrit_),
+    n_(0.48508 + 1.55171*azentricFactor_ - 0.15613*pow(azentricFactor_, 2)),
+    b2_(b_*b_),
+    b3_(b2_*b_),
+    b5_(b2_*b3_),
     //CL: Only uses the default values
-    b2_(pow(b_,2)),
-    b3_(pow(b_,3)),
-    b5_(pow(b_,5)),
-    rhoMax_(1500),
     rhoMin_(1e-3),
-    TSave(0.0),
+    rhoMax_(1500),
     // Starting GUESS for the density by ideal gas law
-    rhostd_(this->rho(this->Pstd(),this->Tstd(),this->Pstd()/(this->Tstd()*this->R())))
+    rhostd_(this->rho(this->Pstd(), this->Tstd(), this->Pstd()/(this->Tstd()*this->R()))),
+    aSave(0.0),
+    daSave(0.0),
+    d2aSave(0.0),
+    TSave(0.0)
 {
     is.check("soaveRedlichKwong::soaveRedlichKwong(Istream& is)");
 }
+
 //CL: Constructed needed in OpenFOAM 2.x.x
 //CL: Code works fine, but compiling problem in OpenFOAM 1.6.ext
 //CL:  because specie has no constructor using dict
@@ -74,21 +73,32 @@ soaveRedlichKwong::soaveRedlichKwong(const dictionary& dict)
     pcrit_(readScalar(dict.subDict("equationOfState").lookup("pCritical"))),
     Tcrit_(readScalar(dict.subDict("equationOfState").lookup("TCritical"))),
     azentricFactor_(readScalar(dict.subDict("equationOfState").lookup("azentricFactor"))),
-    //CL: rhoMin and rhoMax are only used as boundaries for the bisection methode (see rho function)
+    a0_(0.42747*pow(this->RR(), 2)*pow(Tcrit_, 2)/pcrit_),
+    b_(0.08664*this->RR()*Tcrit_/pcrit_),
+    n_(0.48508 + 1.55171*azentricFactor_ - 0.15613*pow(azentricFactor_, 2)),
+    b2_(b_*b_),
+    b3_(b_*b2_),
+    b5_(b3_*b2_),
+    //CL: rhoMin and rhoMax are only used as boundaries for the bisection method (see rho function)
+    //CL: important: rhoMin and rhoMax are not used as boundary for the newton solver
+    //CL: therefore, rho can be larger than rhoMax and smaller than rhoMin
+    rhoMin_(dict.subDict("equationOfState").lookupOrDefault("rhoMin",1e-3)),
+    rhoMax_(dict.subDict("equationOfState").lookupOrDefault("rhoMax",1500)),
+    //CL: rhoMin and rhoMax are only used as boundaries for the bisection method (see rho function)
     //CL: important: rhoMin and rhoMax are not used as boundary for the newton solver
     //CL: therefore, rho can be larger than rhoMax and smaller than rhoMin
     rhoMin_(dict.subDict("equationOfState").lookupOrDefault("rhoMin",1e-3)),
     rhoMax_(dict.subDict("equationOfState").lookupOrDefault("rhoMax",1500)),
-    a0_(0.42747*pow(this->RR(),2)*pow(Tcrit_,2)/(pcrit_)),
-    b_(0.08664*this->RR()*Tcrit_/pcrit_),
-    n_(0.48508+1.55171*azentricFactor_-0.15613*pow(azentricFactor_,2)),
-    TSave(0.0),
-    b2_(pow(b_,2)),
-    b3_(pow(b_,3)),
-    b5_(pow(b_,5)),
     // Starting GUESS for the density by ideal gas law
-    rhostd_(this->rho(this->Pstd(),this->Tstd(),this->Pstd()/(this->Tstd()*this->R())))
+    rhostd_(this->rho(this->Pstd(), this->Tstd(), this->Pstd()/(this->Tstd()*this->R()))),
-{}
+    aSave(0.0),
+    daSave(0.0),
+    d2aSave(0.0),
+    TSave(0.0)
+{
+    is.check("soaveRedlichKwong::soaveRedlichKwong(Istream& is)");
+}
+
 
 // * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
 
@@ -106,9 +116,11 @@ void Foam::soaveRedlichKwong::write(Ostream& os) const
     os  << indent << dict.dictName() << dict;
 }
 */
+
+
 // * * * * * * * * * * * * * * * Ostream Operator  * * * * * * * * * * * * * //
 
-Ostream& operator<<(Ostream& os, const soaveRedlichKwong& srk)
+Foam::Ostream& Foam::operator<<(Ostream& os, const soaveRedlichKwong& srk)
 {
     os  << static_cast<const specie&>(srk)<< token::SPACE
         << srk.pcrit_ << tab<< srk.Tcrit_<<tab<<srk.azentricFactor_;
@@ -118,8 +130,4 @@ Ostream& operator<<(Ostream& os, const soaveRedlichKwong& srk)
 }
 
 
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-} // End namespace Foam
-
 // ************************************************************************* //

src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/soaveRedlichKwong/soaveRedlichKwong.H

@@ -51,7 +51,6 @@ Germany
 #include "specie.H"
 #include "autoPtr.H"
 
-
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
 namespace Foam
@@ -64,28 +63,29 @@ namespace Foam
 class soaveRedlichKwong
 :
     public specie
-
 {
-
+    // private data
-protected:
+    //CL: data at critical point
-    // Protected data
     scalar pcrit_;
-    scalar Tcrit_;
+    scalar Tcrit_; 
     scalar azentricFactor_;
 
     //-Soave Redlich Kwong
-    scalar n_;
     scalar a0_;
-    mutable scalar b_;
+    scalar b_;
+    scalar n_;
 
     //CL: pow of constants b_ used in the code e.g. b2_=b*b;
-    mutable scalar b2_;
+    scalar b2_;
-    mutable scalar b3_;
+    scalar b3_;
-    mutable scalar b5_;
+    scalar b5_;
 
     //CL: rhoMin and rhoMax are only used as boundaries for the bisection methode (see rho function)
-    scalar rhoMax_;
     scalar rhoMin_;
+    scalar rhoMax_;
+
+    //- Density @STD, initialise after a0, b!
+    scalar rhostd_;
 
     //CL: Variables to save the values of a, dadT and d2adT2 of the mixture
     //CL: Variables must corrected for changing temperatures
@@ -96,23 +96,18 @@ protected:
     //CL: save the temperature for which the save coefficients (amix,dadTmix,d2adT2mix) are correct
     mutable scalar TSave;
 
-    //- Density @STD, initialise after a0, b!
-    mutable scalar rhostd_;
-
-
     //Protected functions
     //CL: function updates the coefficients (aSave, daSave, d2aSave)
     inline void updateModelCoefficients(const  scalar T) const;
 
 public:
 
-
     // Constructors
 
         //- Construct from components
         inline soaveRedlichKwong
         (
-            const specie& s
+            const specie& sp
         );
 
         //- Construct from Istream
@@ -122,7 +117,7 @@ public:
         //soaveRedlichKwong(const dictionary& dict);
 
         //- Construct as named copy
-        inline soaveRedlichKwong(const word& name,const soaveRedlichKwong&);
+        inline soaveRedlichKwong(const word& name, const soaveRedlichKwong&);
 
         //- Construct and return a clone
         inline autoPtr<soaveRedlichKwong> clone() const;
@@ -131,48 +126,44 @@ public:
         inline static autoPtr<soaveRedlichKwong> New(Istream& is);
 
     // Member functions
-        inline scalar rhostd()const;
-
-        //CL: Model coefficient a(T)
-        inline scalar a(const  scalar T)const;
-
-        //CL: temperature deriviative of model coefficient a(T)
-        inline scalar dadT(const  scalar T)const;
-
-        //CL: second order temperature deriviative of model coefficient a(T)
-        inline scalar d2adT2(const  scalar T)const;
 
         //Return Soave Redlich Kwong factors
-        inline scalar a0()const;
+        inline scalar a0() const;
 
-        inline scalar b()const;
+        inline scalar b() const;
 
-        inline scalar n()const;
+        inline scalar n() const;
 
-        //CL: return power of constants b_
+        inline scalar rhostd() const;
-        inline scalar b2()const;
 
-        inline scalar b3()const;
+        inline scalar rhoMin() const;
 
-        inline scalar b5()const;
+        inline scalar rhoMax() const;
+
+        inline scalar Tcrit() const;
+
+        //CL: Model coefficient a(T)
+        inline scalar a(const scalar T) const;
+
+        //CL: temperature deriviative of model coefficient a(T)
+        inline scalar dadT(const scalar T) const;
+
+        //CL: second order temperature deriviative of model coefficient a(T)
+        inline scalar d2adT2(const scalar T) const;
 
         //CL: Equation of state
         inline scalar p(const scalar rho, const scalar T) const;
 
         //CL: first order derivatives
-        inline scalar dpdv(const scalar rho,const  scalar T) const;
+        inline scalar dpdv(const scalar rho, const scalar T) const;
 
         inline scalar dpdT(const scalar rho, const scalar T) const;
 
-        inline scalar dvdT(const scalar rho,const  scalar T) const;
+        inline scalar dvdT(const scalar rho, const scalar T) const;
 
         inline scalar dvdp(const scalar rho, const scalar T) const;
 
-        inline scalar isobarExpCoef
+        inline scalar isobarExpCoef(const scalar rho, const scalar T) const;
-        (
-            const scalar rho,
-            const scalar T
-        ) const;
 
         inline scalar isothermalCompressiblity
         (
@@ -181,22 +172,34 @@ public:
         ) const;
 
         //CL: Used for cv
-        inline scalar integral_d2pdT2_dv(const scalar rho,const  scalar T) const ;
+        inline scalar integral_d2pdT2_dv
+        (
+            const scalar rho,
+            const scalar T
+        ) const;
 
         //CL: second order derivatives, not Used At The Moment
-        inline scalar d2pdv2(const scalar rho,const  scalar T) const;
+        inline scalar d2pdv2(const scalar rho, const scalar T) const;
 
-        inline scalar d2pdT2(const scalar rho,const  scalar T) const;
+        inline scalar d2pdT2(const scalar rho, const scalar T) const;
 
-        inline scalar d2pdvdT(const scalar rho,const  scalar T) const;
+        inline scalar d2pdvdT(const scalar rho, const scalar T) const;
 
-        inline scalar d2vdT2(const scalar rho,const  scalar T) const;
+        inline scalar d2vdT2(const scalar rho, const scalar T) const;
 
         //CL: Used for internal Energy
-        inline scalar integral_p_dv(const scalar rho,const  scalar T) const;
+        inline scalar integral_p_dv
+        (
+            const scalar rho,
+            const scalar T
+        ) const;
 
-        //Used for Entropy
+        //CL: Used for Entropy
-        inline scalar integral_dpdT_dv(const scalar rho,const  scalar T) const;
+        inline scalar integral_dpdT_dv
+        (
+            const scalar rho,
+            const scalar T
+        ) const;
 
         //- Return density [kg/m^3]
         // rho0 is the starting point of the newton solver used to calculate rho
@@ -207,7 +210,7 @@ public:
             const scalar rho0
         ) const;
 
-        inline scalar rho(const scalar p,const  scalar T) const;
+        inline scalar rho(const scalar p, const scalar T) const;
 
         //- Return compressibility drho/dp at T=constant [s^2/m^2]
         inline scalar psi(const scalar rho, const scalar T) const;
@@ -232,11 +235,8 @@ public:
 
         inline void operator+=(const soaveRedlichKwong&);
 
-/*
-        inline void operator-=(const soaveRedlichKwong&);
-
         inline void operator*=(const scalar);
-*/
+
 
     // Friend operators
 
@@ -252,6 +252,7 @@ public:
             const soaveRedlichKwong&
         );
 
+
     // Ostream Operator
 
         friend Ostream& operator<<(Ostream&, const soaveRedlichKwong&);

src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/soaveRedlichKwong/soaveRedlichKwongI.H

@@ -28,7 +28,6 @@ Institut für Thermodynamik
 Technische Universität Braunschweig
 Germany
 
-
 \*---------------------------------------------------------------------------*/
 
 #include "soaveRedlichKwong.H"
@@ -52,20 +51,25 @@ inline soaveRedlichKwong::soaveRedlichKwong
 
 
 // Construct as named copy
-inline soaveRedlichKwong::soaveRedlichKwong(const word& name,const  soaveRedlichKwong& srk)
+inline soaveRedlichKwong::soaveRedlichKwong(const word& name, const soaveRedlichKwong& srk)
 :
     specie(name, srk),
     pcrit_(srk.pcrit_),
     Tcrit_(srk.Tcrit_),
     azentricFactor_(srk.azentricFactor_),
-    n_(srk.n_),
     a0_(srk.a0_),
     b_(srk.b_),
+    n_(srk.n_),
     b2_(srk.b2_),
     b3_(srk.b3_),
     b5_(srk.b5_),
-    TSave(0),
+    rhoMin_(srk.rhoMin_),
-    rhostd_(srk.rhostd_)
+    rhoMax_(srk.rhoMax_),
+    rhostd_(srk.rhostd_),
+    aSave(0.0),
+    daSave(0.0),
+    d2aSave(0.0),
+    TSave(0.0)
 {}
 
 
@@ -85,25 +89,43 @@ inline autoPtr<soaveRedlichKwong> soaveRedlichKwong::New(Istream& is)
 
 // * * * * * * * * * * * * *  Member Functions  * * * * * * * * * * * //
 
-inline void soaveRedlichKwong::updateModelCoefficients(const scalar T)const
+inline scalar soaveRedlichKwong::rhostd() const
 {
-    aSave=a0_*pow(1+n_*(1-pow(T/Tcrit_,0.5)),2);
+    return rhostd_;
-    daSave=a0_*n_*(n_*sqrt(T/Tcrit_)-n_-1)*sqrt(T/Tcrit_)/T;
+}
-    d2aSave=a0_*n_*(n_+1)*sqrt(T/Tcrit_)/(2*pow(T,2));
+
+
+inline scalar soaveRedlichKwong::rhoMin() const
+{
+    return rhoMin_;
+}
+
+
+inline scalar soaveRedlichKwong::rhoMax() const
+{
+    return rhoMax_;
+}
+
+
+inline scalar soaveRedlichKwong::Tcrit() const
+{
+    return Tcrit_;
+}
+
+
+inline void soaveRedlichKwong::updateModelCoefficients(const scalar T) const
+{
+    aSave=a0_*pow(1 + n_*(1 - pow(T/Tcrit_, 0.5)), 2);
+    daSave=a0_*n_*(n_*sqrt(T/Tcrit_) - n_ - 1)*sqrt(T/Tcrit_)/T;
+    d2aSave=a0_*n_*(n_ + 1)*sqrt(T/Tcrit_)/(2*T*T);
 
     //CL: saving the temperature at which the coefficients are valid
     TSave=T;
 }
 
 
-inline scalar soaveRedlichKwong::rhostd()const
-{
-    return rhostd_;
-}
-
-
 //CL: Model coefficient a(T)
-inline scalar soaveRedlichKwong::a(const scalar T)const
+inline scalar soaveRedlichKwong::a(const scalar T) const
 {
     //CL: check if a has already been calculated for this temperature
     if(TSave==T)
@@ -120,7 +142,7 @@ inline scalar soaveRedlichKwong::a(const scalar T)const
 
 
 //CL: temperature deriviative of model coefficient a(T)
-inline scalar soaveRedlichKwong::dadT(const scalar T)const
+inline scalar soaveRedlichKwong::dadT(const scalar T) const
 {
     // check if a has already been calculated for this temperature
     if(TSave==T)
@@ -137,7 +159,7 @@ inline scalar soaveRedlichKwong::dadT(const scalar T)const
 
 
 //CL: second order temperature deriviative of model coefficient a(T)
-inline scalar soaveRedlichKwong::d2adT2(const scalar T)const
+inline scalar soaveRedlichKwong::d2adT2(const scalar T) const
 {
     // check if a has already been calculated for this temperature
     if(TSave==T)
@@ -153,50 +175,29 @@ inline scalar soaveRedlichKwong::d2adT2(const scalar T)const
 }
 
 
-inline scalar soaveRedlichKwong::a0()const
+inline scalar soaveRedlichKwong::a0() const
 {
     return a0_;
 }
 
 
-inline scalar soaveRedlichKwong::b()const
+inline scalar soaveRedlichKwong::b() const
 {
     return b_;
 }
 
 
-inline scalar soaveRedlichKwong::n()const
+inline scalar soaveRedlichKwong::n() const
 {
     return n_;
 }
 
-//CL: pow of constant b() used in the code e.g. b2_=b*b;
-inline scalar soaveRedlichKwong::b2()const
-{
-    return b2_;
-}
-
-inline scalar soaveRedlichKwong::b3()const
-{
-    return b3_;
-}
-
-inline scalar soaveRedlichKwong::b5()const
-{
-    return b5_;
-}
-
 
 //returns the pressure for a given density and temperature
-inline scalar soaveRedlichKwong::p(const scalar rho,const scalar T) const
+inline scalar soaveRedlichKwong::p(const scalar rho, const scalar T) const
 {
     scalar Vm = this->W()/rho;
-
+    return this->RR()*T/(Vm - b_) - a(T)/(Vm*(Vm + b_));
-    return
-    (
-        this->RR()*T/(Vm-b_)
-        -a(T)/(Vm*(Vm+b_))
-    );
 }
 
 
@@ -206,13 +207,13 @@ inline scalar soaveRedlichKwong::dpdv(const scalar rho, const scalar T) const
 {
     scalar Vm = this->W()/rho;
     scalar Vm2 = Vm*Vm;
+    scalar Vm3 = Vm2*Vm;
 
     return
     (
-        a(T)*(b3()-3*b_*Vm2+2*pow(Vm,3))
+        a(T)*(b3_ - 3*b_*Vm2 + 2*Vm3) - this->RR()*T*Vm2*(b2_ + 2*b_*Vm + Vm2)
-        -this->RR()*T*Vm2*(b2()+2*b_*Vm+Vm2)
     )
-    /(Vm2*pow(b_+Vm,2)*pow(b_-Vm,2));
+   /(Vm2*pow(b_ + Vm, 2)*pow(b_ - Vm, 2));
 }
 
 
@@ -221,126 +222,143 @@ inline scalar soaveRedlichKwong::dpdv(const scalar rho, const scalar T) const
 inline scalar soaveRedlichKwong::dpdT(const scalar rho, const scalar T) const
 {
     scalar Vm = this->W()/rho;
-
+    return this->RR()/(Vm - b_) - dadT(T)/(Vm*(Vm + b_));
-    return
-    (
-        this->RR()/(Vm-b_)
-        -dadT(T)/(Vm*(Vm+b_))
-    );
 }
 
 
 //Real  deviative dv/dT at constant pressure
 //using implicit differentiation
 // (molar values)
-inline scalar soaveRedlichKwong::dvdT(const scalar rho,const scalar T) const
+inline scalar soaveRedlichKwong::dvdT(const scalar rho, const scalar T) const
 {
-    return (-1)*this->dpdT(rho,T)/this->dpdv(rho,T);
+    return -this->dpdT(rho, T)/this->dpdv(rho, T);
 }
 
 
 //Real  deviative dv/dp at constant temperature
 //(molar values)
-inline scalar soaveRedlichKwong::dvdp(const scalar rho,const scalar T)  const
+inline scalar soaveRedlichKwong::dvdp(const scalar rho, const scalar T) const
 {
-    return 1/this->dpdv(rho,T);
+    return 1/this->dpdv(rho, T);
 }
 
 
 //needed to calculate the internal energy
 //(molar values)
-inline scalar soaveRedlichKwong::integral_p_dv(const scalar rho,const scalar T) const
+inline scalar soaveRedlichKwong::integral_p_dv
+(
+    const scalar rho,
+    const scalar T
+) const
 {
     scalar Vm = this->W()/rho;
-
+    return this->RR()*T*log(Vm - b_) + a(T)/b_*(log(b_ + Vm) - log(Vm));
-    return this->RR()*T*log(Vm-b_)+a(T)*log(b_+Vm)/b_-a(T)*log(Vm)/b_;
+    //return this->RR()*T*log(Vm - b_) + a(T)*log(b_ + Vm)/b_ - a(T)*log(Vm)/b_;
 }
 
 
 //needed to calculate the entropy
 //(molar values)
-inline scalar soaveRedlichKwong::integral_dpdT_dv(const scalar rho,const scalar T) const
+//needed to calculate the entropy
+inline scalar soaveRedlichKwong::integral_dpdT_dv
+(
+    const scalar rho,
+    const scalar T
+) const
 {
     scalar Vm = this->W()/rho;
-
+    return this->RR()*log(Vm - b_) + dadT(T)/b_*(log(b_ + Vm) - log(Vm));
-    return this->RR()*log(Vm-b_)+dadT(T)*log(b_+Vm)/b_-dadT(T)*log(Vm)/b_;
+    //return this->RR()*log(Vm - b_) + dadT(T)*log(b_ + Vm)/b_ - dadT(T)*log(Vm)/b_;
 }
 
 
 //(molar values)
-inline scalar soaveRedlichKwong::d2pdT2(const scalar rho,const scalar T) const
+inline scalar soaveRedlichKwong::d2pdT2(const scalar rho, const scalar T) const
 {
     scalar Vm = this->W()/rho;
-
+    return -d2adT2(T)/(Vm*(Vm + b_));
-    return -d2adT2(T)/(Vm*(Vm+b_));
 }
 
 
 //(molar values)
-inline scalar soaveRedlichKwong::d2pdv2(const scalar rho,const scalar T) const
+inline scalar soaveRedlichKwong::d2pdv2(const scalar rho, const scalar T) const
 {
     scalar Vm = this->W()/rho;
     scalar Vm2 = Vm*Vm;
-    scalar Vm3 = Vm*Vm*Vm;
+    scalar Vm3 = Vm2*Vm;
+    scalar Vm4 = Vm3*Vm;
+    scalar Vm5 = Vm4*Vm;
 
-    return
+    return 2*
-    2*
     (
-        a(T)*
+        a(T)*(b5_ - 3*b3_*Vm2 - b2_*Vm3 + 6*b_*Vm4 - 3*Vm5)
-        (
+      + this->RR()*T*Vm3*(b3_ + 3*b2_*Vm + 3*b_*Vm2 + Vm3)
-            b5()-3*b3()*Vm2-b2()*Vm3+6*b_*pow(Vm,4)-3*pow(Vm,5)
-        )
-        +this->RR()*T*Vm3*
-        (
-            b3()+3*b2()*Vm+3*b_*Vm2+Vm3
-        )
     )
-    /(Vm3*pow(b_+Vm,3)*pow(Vm-b_,3));
+   /(Vm3*pow(b_ + Vm, 3)*pow(Vm - b_, 3));
 }
 
 
 //(molar values)
-// using second Order implicit differentiation
+//using second order implicit differentiation
-inline scalar soaveRedlichKwong::d2vdT2(const scalar rho, const scalar T) const
+inline scalar soaveRedlichKwong::d2vdT2
+(
+    const scalar rho,
+    const scalar T
+) const
 {
-    return
+    scalar dpdT2=this->dpdT(rho, T)*this->dpdT(rho, T);
+    scalar dpdv2=this->dpdv(rho, T)*this->dpdv(rho, T);
+    scalar dpdv3=dpdv2*this->dpdv(rho, T);
+
+    return 
     -(
-          pow(this->dpdT(rho,T),2)*this->d2pdv2(rho,T)
+          dpdT2*this->d2pdv2(rho, T)
-        + pow(this->dpdv(rho,T),2)*this->d2pdT2(rho,T)
+        + dpdv2*this->d2pdT2(rho, T)
-        - 2*this->dpdv(rho,T)*this->dpdT(rho,T)*this->d2pdvdT(rho,T)
+        - 2*this->dpdv(rho, T)*this->dpdT(rho, T)*this->d2pdvdT(rho, T)
     )
-    /(pow(this->dpdv(rho,T),3));
+    /dpdv3;
 }
 
 
 //(molar values)
-inline scalar soaveRedlichKwong::d2pdvdT(const scalar rho, const scalar T) const
+inline scalar soaveRedlichKwong::d2pdvdT
+(
+    const scalar rho,
+    const scalar T
+) const
 {
     scalar Vm = this->W()/rho;
     scalar Vm2 = Vm*Vm;
+    scalar Vm3 = Vm2*Vm;
 
     return
     (
-        dadT(T)*(b3()-3*b_*Vm2+2*pow(Vm,3))
+        dadT(T)*(b3_ - 3*b_*Vm2 + 2*Vm3) - this->RR()*Vm2*(b2_ + 2*b_*Vm + Vm2)
-        -this->RR()*Vm2*(b2()+2*b_*Vm+Vm2)
     )
-    /(Vm2*pow(b_+Vm,2)*pow(b_-Vm,2));
+    /(Vm2*pow(b_ + Vm, 2)*pow(b_ - Vm, 2));
 }
 
 
 // the result of this intergal is needed for the nasa based cp polynomial
 //(molar values)
-inline scalar soaveRedlichKwong::integral_d2pdT2_dv(const scalar rho,const scalar T) const
+inline scalar soaveRedlichKwong::integral_d2pdT2_dv
+(
+    const scalar rho,
+    const scalar T
+) const
 {
     scalar Vm = this->W()/rho;
-
+    return d2adT2(T)*log(b_ + Vm)/b_ - d2adT2(T)*log(Vm)/b_;
-    return d2adT2(T)*log(b_+Vm)/b_-d2adT2(T)*log(Vm)/b_;
 }
 
 
 //Isobar expansion Coefficent beta = 1/v (dv/dt) at constant p
 //(molar values)
-inline scalar soaveRedlichKwong::isobarExpCoef(const scalar rho,const scalar T)  const
+inline scalar soaveRedlichKwong::isobarExpCoef
+(
+    const scalar rho,
+    const scalar T
+) const
 {
     return this->dvdT(rho, T)*rho/this->W();
 }
@@ -348,29 +366,35 @@ inline scalar soaveRedlichKwong::isobarExpCoef(const scalar rho,const scalar T)
 
 //isothemal compressiblity kappa (not Thermal conductivity)
 //(molar values)
-inline scalar soaveRedlichKwong::isothermalCompressiblity(const scalar rho,const scalar T) const
+inline scalar soaveRedlichKwong::isothermalCompressiblity
+(
+    const scalar rho,
+    const scalar T
+) const
 {
     return this->isobarExpCoef(rho, T)/this->dpdT(rho, T);
+    //CL: also possible
+    //CL: return -this->dvdp(rho, T)*rho/this->W();
 }
 
 
 //- Return density [kg/m^3]
-inline scalar soaveRedlichKwong::rho(
+inline scalar soaveRedlichKwong::rho
+(
     const scalar p,
     const scalar T,
     const scalar rho0
 ) const
 {
-
    scalar molarVolumePrevIteration;
    scalar molarVolume;
-   label iter=0;
+   label iter = 0;
-   label maxIter_=400;
+   label maxIter_ = 400;
-   scalar tol_=1e-8;
+   scalar tol_ = 1e-8;
-   scalar rho1=rhoMax_;
+   scalar rho1 = rhoMax_;
-   scalar rho2=rhoMin_;
+   scalar rho2 = rhoMin_;
 
-   molarVolume=this->W()/rho0;
+   molarVolume = this->W()/rho0;
 
    do
    {
@@ -379,24 +403,24 @@ inline scalar soaveRedlichKwong::rho(
        label i=0;
        do
        {
+           //CL: modified Newton solver
            molarVolume=molarVolumePrevIteration
                -(
                    (this->p((this->W()/molarVolumePrevIteration),T) - p)
-                   /(this->dpdv((this->W()/molarVolumePrevIteration),T))
+                   /(this->dpdv((this->W()/molarVolumePrevIteration), T))
                )/pow(2,i);
 
            i++;
            if (i>8)
            {
                //CL: using bisection methode as backup,
-               //CL: solution must be between rho=0.001 to rho=1500;
+               //CL: solution must be between rhoMin_ to rhoMax
-               //CL: if not, change rhoMax_ and rhoMin_
                for(i=0; i<200; i++)
                {
-                   scalar f1 = this->p(rho1,T) - p;
+                   scalar f1 = this->p(rho1, T) - p;
-                   scalar f2 = this->p(rho2,T) - p;
+                   scalar f2 = this->p(rho2, T) - p;
                    scalar rho3 = (rho1 + rho2)/2;
-                   scalar f3 = this->p(rho3,T) - p;
+                   scalar f3 = this->p(rho3, T) - p;
 
                    if ((f2 < 0 && f3 > 0) || (f2 > 0 && f3 < 0))
                    {
@@ -426,15 +450,16 @@ inline scalar soaveRedlichKwong::rho(
        }
        while
        (
-           mag(this->p((this->W()/molarVolume),T) - p)
+           mag(this->p((this->W()/molarVolume), T) - p)
-         > mag(this->p((this->W()/molarVolumePrevIteration),T) - p)
+         > mag(this->p((this->W()/molarVolumePrevIteration), T) - p)
        );
 
        if (iter++ > maxIter_)
        {
            FatalErrorIn
            (
-               "inline scalar soaveRedlichKwong::rho(const scalar p, const scalar T, const scalar rho0) const "
+               "inline scalar soaveRedlichKwong::rho"
+               "(const scalar p, const scalar T, const scalar rho0) const "
            )   << "Maximum number of iterations exceeded"
                << abort(FatalError);
        }
@@ -444,27 +469,34 @@ inline scalar soaveRedlichKwong::rho(
    return this->W()/molarVolume;
 }
 
-//- Return density [kg/m^3]on
+
-inline scalar soaveRedlichKwong::rho(const scalar p,const scalar T) const
+//- Return density [kg/m^3]
+inline scalar soaveRedlichKwong::rho(const scalar p, const scalar T) const
 {
     //CL: using perfect gas equation as starting point
-    return rho(p,T,p/(this->R()*T));
+    return rho(p, T, p/(this->R()*T));
 }
 
 
 //- Return compressibility drho/dp at T=constant [s^2/m^2]
 inline scalar soaveRedlichKwong::psi(const scalar rho, const scalar T) const
 {
-    return -this->dvdp(rho,T)*pow(rho,2)/this->W();
+    return -this->dvdp(rho, T)*rho*rho/this->W();
 }
 
 
 //- Return compression factor []
-inline scalar soaveRedlichKwong::Z( const scalar p, const scalar T,const scalar rho0) const
+inline scalar soaveRedlichKwong::Z
+(
+    const scalar p,
+    const scalar T,
+    const scalar rho0
+) const
 {
-    return p/(this->R()*T*this->rho(p,T,rho0));
+    return p/(this->R()*T*this->rho(p, T, rho0));
 }
 
+
 // * * * * * * * * * * * * * * * Member Operators  * * * * * * * * * * * * * //
 
 inline void soaveRedlichKwong::operator+=(const soaveRedlichKwong& srk)
@@ -472,18 +504,13 @@ inline void soaveRedlichKwong::operator+=(const soaveRedlichKwong& srk)
     specie::operator+=(srk);
 }
 
-/*
-inline void soaveRedlichKwong::operator-=(const soaveRedlichKwong& srk)
-{
-    specie::operator-=(srk);
-}
 
 inline void soaveRedlichKwong::operator*=(const scalar s)
 {
     specie::operator*=(s);
 }
 
-*/
+
 // * * * * * * * * * * * * * * * Friend Operators  * * * * * * * * * * * * * //
 
 inline soaveRedlichKwong operator+
@@ -499,6 +526,7 @@ inline soaveRedlichKwong operator+
     );
 }
 
+
 inline soaveRedlichKwong operator*
 (
     const scalar s,
@@ -508,6 +536,7 @@ inline soaveRedlichKwong operator*
     return soaveRedlichKwong(s*static_cast<const specie&>(srk));
 }
 
+
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
 } // End namespace Foam

src/thermophysicalModels/specie/thermo/realGasThermo/constantHeatCapacity/constantHeatCapacity.C

@@ -0,0 +1,71 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | foam-extend: Open Source CFD
+   \\    /   O peration     |
+    \\  /    A nd           | For copyright notice see file Copyright
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of foam-extend.
+
+    foam-extend is free software: you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by the
+    Free Software Foundation, either version 3 of the License, or (at your
+    option) any later version.
+
+    foam-extend 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 foam-extend.  If not, see <http://www.gnu.org/licenses/>.
+
+Author
+Christian Lucas
+Institut für Thermodynamik
+Technische Universität Braunschweig 
+Germany
+
+\*---------------------------------------------------------------------------*/
+
+#include "constantHeatCapacity.H"
+#include "IOstreams.H"
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+template<class equationOfState>
+Foam::constantHeatCapacity<equationOfState>::constantHeatCapacity(Istream& is)
+:
+    equationOfState(is),
+    Cp0_(readScalar(is)),
+    cp0_(Cp0_*this->W()),
+    //values for some need terms at std
+    e0_std(e0(this->Tstd())),
+    s0_std(s0(this->Tstd())),
+    integral_p_dv_std(this->integral_p_dv(this->rhostd(),this->Tstd())),
+    integral_dpdT_dv_std(this->integral_dpdT_dv(this->rhostd(),this->Tstd())),
+    // cp @ STD (needed to limit cp for stability
+    cp_std(this->cp_nonLimited(this->rhostd(),this->Tstd())) 	
+{
+    is.check("constantHeatCapacity::constantHeatCapacity(Istream& is)"); 	
+}
+
+
+// * * * * * * * * * * * * * * * Ostream Operator  * * * * * * * * * * * * * //
+
+template<class equationOfState>
+Foam::Ostream& Foam::operator<<
+(
+    Ostream& os,
+    const constantHeatCapacity<equationOfState>& np
+)
+{
+    os  << static_cast<const equationOfState&>(np) << tab
+        << np.Cp0_;
+    os.check("Ostream& operator<<(Ostream& os, const constantHeatCapacity& np)");
+    return os;
+}
+
+
+// ************************************************************************* //

src/thermophysicalModels/specie/thermo/realGasThermo/constantHeatCapacity/constantHeatCapacity.H

@@ -0,0 +1,256 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | foam-extend: Open Source CFD
+   \\    /   O peration     |
+    \\  /    A nd           | For copyright notice see file Copyright
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of foam-extend.
+
+    foam-extend is free software: you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by the
+    Free Software Foundation, either version 3 of the License, or (at your
+    option) any later version.
+
+    foam-extend 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 foam-extend.  If not, see <http://www.gnu.org/licenses/>.
+
+Class
+    Foam::constantHeatCapacity
+
+Description
+    real gas thermodynamic class --> constant perfect gas heat capacity
+    Important: the perfect gas heat capacity is constant, the real heat capacity is not constant due to real gas corrections
+
+    templated into the equationOfState
+    -> uses the equation of state to calculate all real Gas properties like Enthalpy, Entropy ...
+    -> can not be used with the perfectGas equation of state
+   
+    Equations for the real gas correction: Have a look at thermodnamics books e.g. Thermodynamics: 
+    An Engineering Approch, 5 Edition, Chapter 12
+
+SourceFiles
+    constantHeatCapacityI.H
+    constantHeatCapacity.C
+
+Author
+Christian Lucas
+Institut für Thermodynamik
+Technische Universität Braunschweig 
+Germany
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef constantHeatCapacity_H
+#define constantHeatCapacity_H
+
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+// Forward declaration of friend functions and operators
+
+template<class equationOfState> class constantHeatCapacity;
+
+template<class equationOfState>
+inline constantHeatCapacity<equationOfState> operator+
+(
+    const constantHeatCapacity<equationOfState>&,
+    const constantHeatCapacity<equationOfState>&
+);
+
+template<class equationOfState>
+inline constantHeatCapacity<equationOfState> operator-
+(
+    const constantHeatCapacity<equationOfState>&,
+    const constantHeatCapacity<equationOfState>&
+);
+
+template<class equationOfState>
+inline constantHeatCapacity<equationOfState> operator*
+(
+    const scalar,
+    const constantHeatCapacity<equationOfState>&
+);
+
+template<class equationOfState>
+inline constantHeatCapacity<equationOfState> operator==
+(
+    const constantHeatCapacity<equationOfState>&,
+    const constantHeatCapacity<equationOfState>&
+);
+
+template<class equationOfState>
+Ostream& operator<<
+(
+    Ostream&,
+    const constantHeatCapacity<equationOfState>&
+);
+
+
+/*---------------------------------------------------------------------------*\
+           Class constantHeatCapacity Thermo Declaration
+\*---------------------------------------------------------------------------*/
+
+template<class equationOfState>
+class constantHeatCapacity
+:
+    public equationOfState
+{
+    // Private data
+
+        //CL: spec. cp
+        scalar Cp0_;
+        //CL: molar values
+        scalar cp0_;
+	scalar e0_std;
+	scalar s0_std;
+	scalar integral_p_dv_std;
+	scalar integral_dpdT_dv_std;
+	scalar cp_std;
+
+    // Private member functions
+
+        //- Construct from components
+        //CL: used for the operator+
+        inline constantHeatCapacity
+        (
+            const equationOfState& st,
+            const scalar cp0_
+	);
+
+        //- Construct from components
+        //CL: used for the operator*
+        inline constantHeatCapacity
+        (
+            const equationOfState& st,
+            const scalar cp0_,
+            const scalar e0_std_,
+            const scalar s0_std_,
+            const scalar integral_p_dv_std_,
+            const scalar integral_dpdT_dv_std_,
+            const scalar cp_std_
+        );
+
+public:
+
+//Variable
+
+    // Constructors
+        //- Construct from Istream
+        constantHeatCapacity(Istream&);
+
+        //- Construct as named copy
+        inline constantHeatCapacity(const word&, const constantHeatCapacity&);
+
+        //- Construct and return a clone
+        inline autoPtr<constantHeatCapacity> clone() const;
+
+        //- Selector from Istream
+        inline static autoPtr<constantHeatCapacity> New(Istream& is);
+
+    // Member Functions
+        
+	//- perfect Gas Enthalpy [J/kmol]
+        inline scalar h0(const scalar T) const;
+	    
+        //- perfect Gas Entropy [J/(kmol K)]
+        inline scalar s0(const scalar T) const;
+
+        //- perfect Gas internal Energy  [J/kmol]
+        inline scalar e0(const scalar T) const;
+
+        //- perfect gas Heat capacity at constant pressure [J/(kmol K)]
+        inline scalar cv0(const scalar T) const;
+
+        //- perfect gas Heat capacity at constant pressure [J/(kmol K)]
+        inline scalar cp0(const scalar T) const;
+
+        //- Limited Heat capacity at constant pressure [J/(kmol K)]
+        inline scalar cp(const scalar rho, const scalar T) const;
+
+        //- non Limited Heat capacity at constant pressure [J/(kmol K)]
+	inline scalar cp_nonLimited(const scalar rho, const scalar T) const;
+
+        //- Heat capacity at constant pressure [J/(kmol K)]
+        inline scalar cv(const scalar rho, const scalar T) const;
+
+        //- Enthalpy [J/kmol]
+        inline scalar h(const scalar rho, const scalar T) const;
+
+        //- Entropy [J/(kmol K)]
+        inline scalar s(const scalar rho,const scalar T) const;
+	    
+        //- Internal Energy [J/kmol]
+        inline scalar e(const scalar rho, const scalar T) const;
+
+
+    // Member operators
+
+        inline void operator+=(const constantHeatCapacity&);
+        inline void operator-=(const constantHeatCapacity&);
+
+
+    // Friend operators
+
+        friend constantHeatCapacity operator+ <equationOfState>
+        (
+            const constantHeatCapacity&,
+            const constantHeatCapacity&
+        );
+
+        friend constantHeatCapacity operator- <equationOfState>
+        (
+            const constantHeatCapacity&,
+            const constantHeatCapacity&
+        );
+
+        friend constantHeatCapacity operator* <equationOfState>
+        (
+            const scalar,
+            const constantHeatCapacity&
+        );
+
+        friend constantHeatCapacity operator== <equationOfState>
+        (
+            const constantHeatCapacity&,
+            const constantHeatCapacity&
+        );
+
+
+    // IOstream Operators
+
+        friend Ostream& operator<< <equationOfState>
+        (
+            Ostream&,
+            const constantHeatCapacity&
+        );
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#include "constantHeatCapacityI.H"
+
+#ifdef NoRepository
+#   include "constantHeatCapacity.C"
+#endif
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //

src/thermophysicalModels/specie/thermo/realGasThermo/constantHeatCapacity/constantHeatCapacityI.H

@@ -0,0 +1,407 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | foam-extend: Open Source CFD
+   \\    /   O peration     |
+    \\  /    A nd           | For copyright notice see file Copyright
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of foam-extend.
+
+    foam-extend is free software: you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by the
+    Free Software Foundation, either version 3 of the License, or (at your
+    option) any later version.
+
+    foam-extend 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 foam-extend.  If not, see <http://www.gnu.org/licenses/>.
+
+Author
+Christian Lucas
+Institut für Thermodynamik
+Technische Universität Braunschweig 
+Germany
+
+\*---------------------------------------------------------------------------*/
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+//- Construct from components
+//CL: used for the operator+
+template<class equationOfState>
+inline Foam::constantHeatCapacity<equationOfState>::constantHeatCapacity
+(
+    const equationOfState& st,
+    const scalar cp0_
+)
+:
+    equationOfState(st),
+    cp0_(cp0_),
+    e0_std(e0(this->Tstd)),
+    s0_std(s0(this->Tstd)),
+    integral_p_dv_std(this->integral_p_dv(this->rhostd(),this->Tstd)),
+    integral_dpdT_dv_std(this->integral_dpdT_dv(this->rhostd(),this->Tstd)),
+    cp_std(this->cp_nonLimited(this->rhostd(),this->Tstd)) 
+{}
+
+
+//- Construct from components
+//CL: used for the operator*
+template<class equationOfState>
+inline Foam::constantHeatCapacity<equationOfState>::constantHeatCapacity
+(
+    const equationOfState& st,
+    const scalar cp0_,
+    const scalar e0_std_,
+    const scalar s0_std_,
+    const scalar integral_p_dv_std_,
+    const scalar integral_dpdT_dv_std_,
+    const scalar cp_std_
+)
+:
+    equationOfState(st),
+    cp0_(cp0_),
+    e0_std(e0_std_),
+    s0_std(s0_std_),
+    integral_p_dv_std(integral_p_dv_std_),
+    integral_dpdT_dv_std(integral_dpdT_dv_std_),
+    cp_std(cp_std_) 
+{}
+
+
+template<class equationOfState>
+inline Foam::constantHeatCapacity<equationOfState>::constantHeatCapacity
+(
+    const word& name,
+    const constantHeatCapacity& np
+)
+:
+    equationOfState(name, np),
+    cp0_(np.cp0_),
+    e0_std(np.e0_std),
+    s0_std(np.s0_std),
+    integral_p_dv_std(np.integral_p_dv_std),
+    integral_dpdT_dv_std(np.integral_dpdT_dv_std),
+    cp_std(np.cp_std)
+{}
+
+
+template<class equationOfState>
+inline Foam::autoPtr<Foam::constantHeatCapacity<equationOfState> >
+Foam::constantHeatCapacity<equationOfState>::clone() const
+{
+    return autoPtr<constantHeatCapacity<equationOfState> >
+    (
+        new constantHeatCapacity<equationOfState>(*this)
+    );
+}
+
+
+template<class equationOfState>
+inline Foam::autoPtr<Foam::constantHeatCapacity<equationOfState> >
+Foam::constantHeatCapacity<equationOfState>::New(Istream& is)
+{
+    return autoPtr<constantHeatCapacity<equationOfState> >
+    (
+        new constantHeatCapacity<equationOfState>(is)
+    );
+}
+
+
+// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
+
+//used to calculate the internal energy
+//perfect gas enthalpy 
+template<class equationOfState>
+inline Foam::scalar Foam::constantHeatCapacity<equationOfState>::h0
+(
+    const scalar T
+) const
+{
+    return cp0_*T;
+}
+
+
+//used to calculate the internal energy
+//perfect gas internal energy 
+template<class equationOfState>
+inline Foam::scalar Foam::constantHeatCapacity<equationOfState>::e0
+(
+    const scalar T
+) const
+{
+    return this->h0(T) - this->RR()*T;
+}
+	
+    
+// used to calculate the entropy
+// perfect gas entropy 
+template<class equationOfState>
+inline Foam::scalar Foam::constantHeatCapacity<equationOfState>::s0
+(
+    const scalar T
+) const
+{
+     return cp0_*log(T);
+}
+
+
+//perfect gas cp
+template<class equationOfState>
+inline Foam::scalar Foam::constantHeatCapacity<equationOfState>::cp0
+(
+    const scalar T
+) const
+{
+    return cp0_;
+}
+
+
+//perfect gas cv
+template<class equationOfState>
+inline Foam::scalar Foam::constantHeatCapacity<equationOfState>::cv0
+(
+    const scalar T
+) const
+{
+
+    return this->cp0(T)-this->RR();
+}
+
+
+//function to calculate real gas cp
+//using cp=cv+(dp/dT)^2/(dp/dv)
+template<class equationOfState>
+inline Foam::scalar Foam::constantHeatCapacity<equationOfState>::cp
+(
+     const scalar rho,
+     const scalar T 
+) const
+{
+    // Problem --> dpdv(rho,T)  is =0 at some points within the vapour dome. To increase stability, (dp/dv) has to be limited 
+    // cp can be negative within the vapor dome. To avoid this nonphysical result, the absolute value is used.
+    // within the vapourdome and at the critical point, cp increases to very high values --> infinity, 
+    // this would decrease the stability, so cp will be limited to 20 times the cp @ STD    
+    return  
+    min
+    (
+        cp_std*20,
+        fabs
+        (
+            this->cv(rho,T)
+          - T*pow((this->dpdT(rho, T)), 2)/min(this->dpdv(rho, T), -1)
+        )
+    ); 
+}
+
+
+// this function is needed to get cp @ STD (without the limit imposed in the function above),
+// which in turn is needed to limit the cp in the function above
+template<class equationOfState>
+inline Foam::scalar Foam::constantHeatCapacity<equationOfState>::cp_nonLimited
+(
+     const scalar rho,
+     const scalar T 
+) const
+{
+    return 
+        fabs(this->cv(rho, T)
+      - T*pow((this->dpdT(rho, T)), 2)/min(this->dpdv(rho, T), -1));
+}
+
+
+//function to calculate real gas c
+//cv=cv0+T*integral d2p/dT2 dv
+template<class equationOfState>
+inline Foam::scalar Foam::constantHeatCapacity<equationOfState>::cv
+(
+    const scalar rho,
+    const scalar T
+    
+) const
+{
+    return this->cv0(T) + T*this->integral_d2pdT2_dv(rho, T);
+}
+
+
+//function to calculate real gas enthalpy
+template<class equationOfState>
+inline Foam::scalar Foam::constantHeatCapacity<equationOfState>::h
+(   
+    const scalar rho,
+    const scalar T   
+) const
+{
+    return
+        this->e(rho, T)
+      + this->p(rho, T)/rho*this->W()
+      - this->Pstd()/this->rhostd()*this->W();
+}
+
+
+// function to calculate real gas internal energy
+// important assumption used: internal Energie is 0 at STD conditions.
+// equation: du= cv0 dT +[T*dp/dT -p]dv
+template<class equationOfState>
+inline Foam::scalar Foam::constantHeatCapacity<equationOfState>::e
+(   
+    const scalar rho,
+    const scalar T    
+) const
+{
+    return 
+      - this->Tstd()*integral_dpdT_dv_std
+      + integral_p_dv_std
+      + this->e0(T)
+      - e0_std
+      + T*this->integral_dpdT_dv(rho, T)
+      - this->integral_p_dv(rho, T);
+}
+
+
+//function to calculate real gas entropy
+// important assumption used: the Entropy is 0 at STD conditions.
+// equation: ds= cv0/T * dT +  dp/dT *dv
+// --> integral cv0/T dT = s0(T) -s0(Tstd) - R*ln(T/Tstd)  --> due to s0(T)-s0(Tstd)=integral cp0/T dT
+template<class equationOfState>
+inline Foam::scalar Foam::constantHeatCapacity<equationOfState>::s
+(
+    const scalar rho,
+    const scalar T
+    
+) const
+{
+    return
+      - integral_dpdT_dv_std
+      + this->s0(T)
+      - s0_std
+      - this->RR*log(T/this->Tstd())
+      + this->integral_dpdT_dv(rho, T);
+}
+
+
+// * * * * * * * * * * * * * * * Member Operators  * * * * * * * * * * * * * //
+
+template<class equationOfState>
+inline void Foam::constantHeatCapacity<equationOfState>::operator+=
+(
+    const constantHeatCapacity<equationOfState>& np
+)
+{
+	
+    scalar molr1 = this->nMoles();
+
+    equationOfState::operator+=(np);
+
+    molr1 /= this->nMoles();
+    scalar molr2 = np.nMoles()/this->nMoles();
+
+    cp0_ = molr1*cp0_ + molr2*np.cp0_;
+}
+
+
+template<class equationOfState>
+inline void Foam::constantHeatCapacity<equationOfState>::operator-=
+(
+    const constantHeatCapacity<equationOfState>& np
+)
+{
+    scalar molr1 = this->nMoles();
+
+    constantHeatCapacity::operator-=(np);
+
+    molr1 /= this->nMoles();
+    scalar molr2 = np.nMoles()/this->nMoles();
+
+    cp0_ = molr1*cp0_ - molr2*np.cp0_;
+}
+
+
+// * * * * * * * * * * * * * * * Friend Operators  * * * * * * * * * * * * * //
+
+template<class equationOfState>
+inline Foam::constantHeatCapacity<equationOfState> Foam::operator+
+(
+    const constantHeatCapacity<equationOfState>& np1,
+    const constantHeatCapacity<equationOfState>& np2
+)
+{
+    equationOfState eofs
+    (
+        static_cast<const equationOfState&>(np1)
+      + static_cast<const equationOfState&>(np2)
+    );
+
+    //CL: Important, calls a different constructor as operator*
+    //CL: the coefficients as well as the EOS (coefficients) changed
+    //CL: therefore, the values at STD needs to be recalculated
+    return constantHeatCapacity<equationOfState>
+    (
+        eofs,
+        np1.nMoles()/eofs.nMoles()*np1.cp0_
+      + np2.nMoles()/eofs.nMoles()*np2.cp0_
+    );
+}
+
+
+template<class equationOfState>
+inline Foam::constantHeatCapacity<equationOfState> Foam::operator-
+(
+    const constantHeatCapacity<equationOfState>& np1,
+    const constantHeatCapacity<equationOfState>& np2
+)
+{
+    equationOfState eofs
+    (
+        static_cast<const equationOfState&>(np1)
+      - static_cast<const equationOfState&>(np2)
+    );
+
+    return constantHeatCapacity<equationOfState>
+    (
+        eofs,
+        np1.nMoles()/eofs.nMoles()*np1.cp0_
+      - np2.nMoles()/eofs.nMoles()*np2.cp0_
+    );
+}
+
+
+template<class equationOfState>
+inline Foam::constantHeatCapacity<equationOfState> Foam::operator*
+(
+    const scalar s,
+    const constantHeatCapacity<equationOfState>& np
+)
+{
+    //CL: values at STD don't need to be recalculated, 
+    //CL: therefore, providing the values in the constructor 
+    return constantHeatCapacity<equationOfState>
+    (
+        s*static_cast<const equationOfState&>(np),
+        np.cp0_,
+        np.e0_std,
+        np.s0_std,
+        np.integral_p_dv_std,
+        np.integral_dpdT_dv_std,
+        np.cp_std
+    );
+}
+
+
+template<class equationOfState>
+inline Foam::constantHeatCapacity<equationOfState> Foam::operator==
+(
+    const constantHeatCapacity<equationOfState>& np1,
+    const constantHeatCapacity<equationOfState>& np2
+)
+{
+    return np2 - np1;
+}
+
+
+// ************************************************************************* //

src/thermophysicalModels/specie/thermo/realGasThermo/nasaHeatCapacityPolynomial/nasaHeatCapacityPolynomial.C

@@ -51,10 +51,10 @@ Foam::nasaHeatCapacityPolynomial<equationOfState>::nasaHeatCapacityPolynomial(Is
     s0_std(s0(this->Tstd())),
     integral_p_dv_std(this->integral_p_dv(this->rhostd(),this->Tstd())),
     integral_dpdT_dv_std(this->integral_dpdT_dv(this->rhostd(),this->Tstd())),
-    // cp @ STD (needed to limit cp for stability
+    //cp @ STD (needed to limit cp for stability
     cp_std(this->cp_nonLimited(this->rhostd(),this->Tstd()))
 {
-    is.check("nasaHeatCapacityPolynomial::nasaHeatCapacityPolynomial(Istream& is)");
+    is.check("nasaHeatCapacityPolynomial::nasaHeatCapacityPolynomial(Istream& is)"); 	
 }
 
 

src/thermophysicalModels/specie/thermo/realGasThermo/nasaHeatCapacityPolynomial/nasaHeatCapacityPolynomial.H

@@ -164,6 +164,9 @@ public:
         //- Construct from Istream
         nasaHeatCapacityPolynomial(Istream&);
 
+        //- Construct from dictionary
+        nasaHeatCapacityPolynomial(const dictionary& dict);
+
         //- Construct as named copy
         inline nasaHeatCapacityPolynomial(const word&, const nasaHeatCapacityPolynomial&);
 

src/thermophysicalModels/specie/thermo/realGasThermo/nasaHeatCapacityPolynomial/nasaHeatCapacityPolynomialI.H

@@ -97,7 +97,7 @@ inline Foam::nasaHeatCapacityPolynomial<equationOfState>::nasaHeatCapacityPolyno
     s0_std(s0_std_),
     integral_p_dv_std(integral_p_dv_std_),
     integral_dpdT_dv_std(integral_dpdT_dv_std_),
-    cp_std(cp_std_)
+    cp_std(cp_std_) 
 {}
 
 
@@ -146,6 +146,7 @@ Foam::nasaHeatCapacityPolynomial<equationOfState>::New(Istream& is)
     );
 }
 
+
  // * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
 
 //used to calculate the internal energy
@@ -200,8 +201,6 @@ inline Foam::scalar Foam::nasaHeatCapacityPolynomial<equationOfState>::s0
 }
 
 
-
-
 //perfect gas cp
 template<class equationOfState>
 inline Foam::scalar Foam::nasaHeatCapacityPolynomial<equationOfState>::cp0
@@ -234,7 +233,6 @@ inline Foam::scalar Foam::nasaHeatCapacityPolynomial<equationOfState>::cv0
 }
 
 
-
 //function to calculate real gas cp
 //using cp=cv+(dp/dT)^2/(dp/dv)
 template<class equationOfState>
@@ -281,15 +279,12 @@ inline Foam::scalar Foam::nasaHeatCapacityPolynomial<equationOfState>::cv
 (
     const scalar rho,
     const scalar T
-
 ) const
 {
     return this->cv0(T)+T*this->integral_d2pdT2_dv(rho, T);
 }
 
 
-
-
 //function to calculate real gas enthalpy
 template<class equationOfState>
 inline Foam::scalar Foam::nasaHeatCapacityPolynomial<equationOfState>::h
@@ -332,7 +327,6 @@ inline Foam::scalar Foam::nasaHeatCapacityPolynomial<equationOfState>::s
 (
     const scalar rho,
     const scalar T
-
 ) const
 {
     return -integral_dpdT_dv_std
@@ -341,8 +335,8 @@ inline Foam::scalar Foam::nasaHeatCapacityPolynomial<equationOfState>::s
     + this->integral_dpdT_dv(rho,T);
 }
 
-// * * * * * * * * * * * * * * * Member Operators  * * * * * * * * * * * * * //
 
+// * * * * * * * * * * * * * * * Member Operators  * * * * * * * * * * * * * //
 
 template<class equationOfState>
 inline void Foam::nasaHeatCapacityPolynomial<equationOfState>::operator+=

src/thermophysicalModels/specie/thermo/realGasThermo/realGasSpecieThermo/realGasSpecieThermo.C

@@ -47,8 +47,8 @@ template<class thermo>
 const Foam::debug::optimisationSwitch
 Foam::realGasSpecieThermo<thermo>::maxIter_
 (
-    "speciesThermoMaxIter",
+    "realGasSpecieThermoMaxIter",
-    100
+    500
 );
 
 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //

src/thermophysicalModels/specie/thermo/realGasThermo/realGasSpecieThermo/realGasSpecieThermo.H

@@ -34,8 +34,6 @@ Description
     cp, h, s obtained from the template argument type thermo.  All other
     properties are derived from these primitive functions.
 
-    Some function copied from the "orginal" specieThermo!
-
 SourceFiles
     realGasSpecieThermoI.H
     realGasSpecieThermo.C
@@ -46,7 +44,6 @@ Institut für Thermodynamik
 Technische Universität Braunschweig
 Germany
 
-
 \*---------------------------------------------------------------------------*/
 
 #ifndef realGasSpecieThermo_H
@@ -226,7 +223,6 @@ public:
 
         inline void operator+=(const realGasSpecieThermo&);
         inline void operator-=(const realGasSpecieThermo&);
-
         inline void operator*=(const scalar);
 
 

src/thermophysicalModels/specie/thermo/realGasThermo/realGasSpecieThermo/realGasSpecieThermoI.H

@@ -28,7 +28,6 @@ Institut für Thermodynamik
 Technische Universität Braunschweig
 Germany
 
-
 \*---------------------------------------------------------------------------*/
 
 #include "realGasSpecieThermo.H"
@@ -61,34 +60,34 @@ inline void Foam::realGasSpecieThermo<thermo>::T
     scalar Test ;
     scalar Tnew = T0;
     scalar rhoOld;
-    scalar rho=rho0;
+    scalar rho = rho0;
     scalar Ttol = T0*tol_();
-    scalar rhotol=rho0*tol_();
+    scalar rhotol = rho0*tol_();
     label iter = 0;
     label i;
 
     do
     {
         Test = Tnew;
-        rhoOld=rho;
+        rhoOld = rho;
-        rho=this->rho(p,Test,rhoOld);
+        rho = this->rho(p, Test, rhoOld);
-        i=0;
+        i = 0;
 
         do
         {
             //CL: using a stabilizing newton solver
             //CL: if the solve is diverging, the step is reduced until the solver converges
-            Tnew = Test - ((this->*F)(rho,Test) - f)/(this->*dFdT)(rho,Test)/(pow(2,i));
+            Tnew = Test - ((this->*F)(rho, Test) - f)/(this->*dFdT)(rho, Test)/(pow(2, i));
             i++;
-        }while
+        } while
         (
             (i<20)
             &&
-            ((
+            (
-                mag((this->*F)(rho,Tnew) - f)
+                mag((this->*F)(rho, Tnew) - f)
                 >
-                mag((this->*F)(rho,Test) - f)
+                mag((this->*F)(rho, Test) - f)
-            ))
+            )
         );
 
         if (iter++ > maxIter_)
@@ -114,6 +113,7 @@ inline void Foam::realGasSpecieThermo<thermo>::T
     T0=Tnew;
 }
 
+
 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
 
 template<class thermo>
@@ -129,7 +129,6 @@ inline Foam::realGasSpecieThermo<thermo>::realGasSpecieThermo
 
 // * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
 
-
 template<class thermo>
 inline Foam::scalar Foam::realGasSpecieThermo<thermo>::gamma(const scalar rho,  const scalar T ) const
 {

src/thermophysicalModels/specie/transport/const/constTransport.H

@@ -137,11 +137,11 @@ public:
         //- Thermal diffusivity for enthalpy [kg/ms]
         inline scalar alpha(const scalar T) const;
 
-        //- Thermal conductivity [W/mK]
+        //- Thermal conductivity [W/mK] for real gas
-        inline scalar kappa(const scalar rho,const scalar T) const;
+        inline scalar kappa(const scalar rho, const scalar T) const;
 
-        //- Thermal diffusivity for enthalpy [kg/ms]
+        //- Thermal diffusivity for enthalpy [kg/ms] for real gas
-        inline scalar alpha(const scalar rho,const scalar T) const;
+        inline scalar alpha(const scalar rho, const scalar T) const;
 
         // Species diffusivity
         //inline scalar D(const scalar T) const;

src/thermophysicalModels/specie/transport/const/constTransportI.H

@@ -119,21 +119,28 @@ inline scalar constTransport<thermo>::alpha(const scalar T) const
 // CL: for real gas thermo
 // Thermal conductivity [W/mK]
 template<class thermo>
-inline scalar constTransport<thermo>::kappa(const scalar rho,const scalar T) const
+inline scalar constTransport<thermo>::kappa(const scalar rho, const scalar T) const
 {
-    return this->Cp(rho,T)*mu(T)*rPr;
+    return this->Cp(rho, T)*mu(T)*rPr;
 }
 
 // CL: for real gas thermo
 // Thermal diffusivity for enthalpy [kg/ms]
 template<class thermo>
-inline scalar constTransport<thermo>::alpha(const scalar rho,const scalar T) const
+inline scalar constTransport<thermo>::alpha
+(
+    const scalar rho,
+    const scalar T
+) const
 {
-    scalar Cp_ = this->Cp(rho,T);
+    scalar Cp_ = this->Cp(rho, T);
 
     scalar deltaT = T - specie::Tstd();
     scalar CpBar =
-        (deltaT*(this->H(rho,T) - this->H(this->rhostd(),specie::Tstd())) + Cp_)/(sqr(deltaT) + 1);
+    (
+        deltaT*(this->H(rho, T) - this->H(this->rhostd(), specie::Tstd()))
+      + Cp_
+    )/(sqr(deltaT) + 1);
 
     return Cp_*mu(T)*rPr/CpBar;
 }

src/thermophysicalModels/specie/transport/constRealGas/constRealGasTransport.C

@@ -0,0 +1,56 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | foam-extend: Open Source CFD
+   \\    /   O peration     |
+    \\  /    A nd           | For copyright notice see file Copyright
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of foam-extend.
+
+    foam-extend is free software: you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by the
+    Free Software Foundation, either version 3 of the License, or (at your
+    option) any later version.
+
+    foam-extend 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 foam-extend.  If not, see <http://www.gnu.org/licenses/>.
+
+\*---------------------------------------------------------------------------*/
+
+#include "constRealGasTransport.H"
+#include "IOstreams.H"
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+template<class Thermo>
+Foam::constRealGasTransport<Thermo>::constRealGasTransport(Istream& is)
+:
+    Thermo(is),
+    mu_(readScalar(is)),
+    rPr_(1.0/readScalar(is))
+{
+    is.check("constRealGasTransport::constRealGasTransport(Istream& is)");
+}
+
+
+// * * * * * * * * * * * * * * * IOstream Operators  * * * * * * * * * * * * //
+
+template<class Thermo>
+Foam::Ostream& Foam::operator<<(Ostream& os, const constRealGasTransport<Thermo>& ct)
+{
+    operator<<(os, static_cast<const Thermo&>(ct));
+    os << tab << ct.mu_ << tab << 1.0/ct.rPr_;
+
+    os.check("Ostream& operator<<(Ostream&, const constRealGasTransport&)");
+
+    return os;
+}
+
+
+// ************************************************************************* //

src/thermophysicalModels/specie/transport/constRealGas/constRealGasTransport.H

@@ -0,0 +1,202 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | foam-extend: Open Source CFD
+   \\    /   O peration     |
+    \\  /    A nd           | For copyright notice see file Copyright
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of foam-extend.
+
+    foam-extend is free software: you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by the
+    Free Software Foundation, either version 3 of the License, or (at your
+    option) any later version.
+
+    foam-extend 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 foam-extend.  If not, see <http://www.gnu.org/licenses/>.
+
+Class
+    Foam::constRealGasTransport
+
+Description
+    Constant properties Transport package.
+    Templated into a given thermodynamics package (needed for thermal
+    conductivity).
+
+SourceFiles
+    constRealGasTransportI.H
+    constRealGasTransport.C
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef constRealGasTransport_H
+#define constRealGasTransport_H
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+// Forward declaration of friend functions and operators
+
+template<class Thermo> class constRealGasTransport;
+
+template<class Thermo>
+inline constRealGasTransport<Thermo> operator+
+(
+    const constRealGasTransport<Thermo>&,
+    const constRealGasTransport<Thermo>&
+);
+
+template<class Thermo>
+inline constRealGasTransport<Thermo> operator-
+(
+    const constRealGasTransport<Thermo>&,
+    const constRealGasTransport<Thermo>&
+);
+
+template<class Thermo>
+inline constRealGasTransport<Thermo> operator*
+(
+    const scalar,
+    const constRealGasTransport<Thermo>&
+);
+
+template<class Thermo>
+inline constRealGasTransport<Thermo> operator==
+(
+    const constRealGasTransport<Thermo>&,
+    const constRealGasTransport<Thermo>&
+);
+
+template<class Thermo>
+Ostream& operator<<
+(
+    Ostream&,
+    const constRealGasTransport<Thermo>&
+);
+
+
+/*---------------------------------------------------------------------------*\
+                           Class constRealGasTransport Declaration
+\*---------------------------------------------------------------------------*/
+
+template<class Thermo>
+class constRealGasTransport
+:
+    public Thermo
+{
+    // Private data
+
+        //- Constant dynamic viscosity [Pa.s]
+        scalar mu_;
+
+        //- Reciprocal Prandtl Number []
+        scalar rPr_;
+
+
+    // Private Member Functions
+
+        //- Construct from components
+        inline constRealGasTransport
+        (
+            const Thermo& t,
+            const scalar mu,
+            const scalar Pr
+        );
+
+
+public:
+
+    // Constructors
+
+        //- Construct as named copy
+        inline constRealGasTransport(const word&, const constRealGasTransport&);
+
+        //- Construct from Istream
+        constRealGasTransport(Istream&);
+
+
+    // Member functions
+
+        //- Dynamic viscosity [kg/ms]
+        inline scalar mu(const scalar T) const;
+
+        //- Thermal conductivity [W/mK]
+        inline scalar kappa(const scalar rho, const scalar T) const;
+
+        //- Thermal diffusivity for enthalpy [kg/ms]
+        inline scalar alpha(const scalar rho, const scalar T) const;
+
+        // Species diffusivity
+        //inline scalar D(const scalar T) const;
+
+
+    // Member operators
+
+        inline constRealGasTransport& operator=
+        (
+            const constRealGasTransport&
+        );
+
+
+    // Friend operators
+
+        friend constRealGasTransport operator+ <Thermo>
+        (
+            const constRealGasTransport&,
+            const constRealGasTransport&
+        );
+
+        friend constRealGasTransport operator- <Thermo>
+        (
+            const constRealGasTransport&,
+            const constRealGasTransport&
+        );
+
+        friend constRealGasTransport operator* <Thermo>
+        (
+            const scalar,
+            const constRealGasTransport&
+        );
+
+        friend constRealGasTransport operator== <Thermo>
+        (
+            const constRealGasTransport&,
+            const constRealGasTransport&
+        );
+
+
+    // Ostream Operator
+
+        friend Ostream& operator<< <Thermo>
+        (
+            Ostream&,
+            const constRealGasTransport&
+        );
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#include "constRealGasTransportI.H"
+
+#ifdef NoRepository
+#   include "constRealGasTransport.C"
+#endif
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //

src/thermophysicalModels/specie/transport/constRealGas/constRealGasTransportI.H

@@ -0,0 +1,217 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | foam-extend: Open Source CFD
+   \\    /   O peration     |
+    \\  /    A nd           | For copyright notice see file Copyright
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of foam-extend.
+
+    foam-extend is free software: you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by the
+    Free Software Foundation, either version 3 of the License, or (at your
+    option) any later version.
+
+    foam-extend 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 foam-extend.  If not, see <http://www.gnu.org/licenses/>.
+
+\*---------------------------------------------------------------------------*/
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+template<class Thermo>
+inline Foam::constRealGasTransport<Thermo>::constRealGasTransport
+(
+    const Thermo& t,
+    const scalar mu,
+    const scalar Pr
+)
+:
+    Thermo(t),
+    mu_(mu),
+    rPr_(1.0/Pr)
+{}
+
+
+template<class Thermo>
+inline Foam::constRealGasTransport<Thermo>::constRealGasTransport
+(
+    const word& name,
+    const constRealGasTransport& ct
+)
+:
+    Thermo(name, ct),
+    mu_(ct.mu_),
+    rPr_(ct.rPr_)
+{}
+
+
+// Construct and return a clone
+template<class thermo>
+inline autoPtr<constRealGasTransport<Thermo> > constTransport<thermo>::clone
+() const
+{
+    return autoPtr<constRealGasTransport<Thermo> >
+    (
+        new constTransport<thermo>(*this)
+    );
+}
+
+
+// Selector from Istream
+template<class thermo>
+inline autoPtr<constRealGasTransport<Thermo> > constTransport<thermo>::New
+(
+    Istream& is
+)
+{
+    return autoPtr<constRealGasTransport<Thermo> >
+    (
+        new constRealGasTransport<thermo>(is)
+    );
+}
+
+
+// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
+
+template<class Thermo>
+inline Foam::scalar Foam::constRealGasTransport<Thermo>::mu(const scalar) const
+{
+    return mu_;
+}
+
+
+// CL: for real gas thermo
+// Thermal conductivity [W/mK]
+template<class thermo>
+inline Foam::scalar Foam::constRealGasTransport<thermo>::kappa(const scalar rho, const scalar T) const
+{
+    return this->Cp(rho, T)*mu(T)*rPr_;
+}
+
+
+// CL: for real gas thermo
+// Thermal diffusivity for enthalpy [kg/ms]
+template<class thermo>
+inline Foam::scalar Foam::constRealGasTransport<thermo>::alpha(const scalar rho, const scalar T) const
+{
+    scalar Cp_ = this->Cp(rho, T);
+
+    scalar deltaT = T - specie::Tstd();
+    scalar CpBar =
+        (deltaT*(this->H(rho, T) - this->H(this->rhostd(), specie::Tstd())) + Cp_)/(sqr(deltaT) + 1);
+
+    return Cp_*mu(T)*rPr_/CpBar;
+}
+
+
+// * * * * * * * * * * * * * * * Member Operators  * * * * * * * * * * * * * //
+
+template<class Thermo>
+inline Foam::constRealGasTransport<Thermo>& Foam::constRealGasTransport<Thermo>::operator=
+(
+    const constRealGasTransport<Thermo>& ct
+)
+{
+    Thermo::operator=(ct);
+
+    mu_ = ct.mu_;
+    rPr_ = ct.rPr_;
+
+    return *this;
+}
+
+
+// * * * * * * * * * * * * * * * Friend Operators  * * * * * * * * * * * * * //
+
+template<class Thermo>
+inline Foam::constRealGasTransport<Thermo> Foam::operator+
+(
+    const constRealGasTransport<Thermo>& ct1,
+    const constRealGasTransport<Thermo>& ct2
+)
+{
+    Thermo t
+    (
+        static_cast<const Thermo&>(ct1) + static_cast<const Thermo&>(ct2)
+    );
+
+    scalar molr1 = ct1.nMoles()/t.nMoles();
+    scalar molr2 = ct2.nMoles()/t.nMoles();
+
+    return constRealGasTransport<Thermo>
+    (
+        t,
+        molr1*ct1.mu_ + molr2*ct2.mu_,
+        molr1*ct1.rPr_ + molr2*ct2.rPr_
+    );
+}
+
+
+template<class Thermo>
+inline Foam::constRealGasTransport<Thermo> Foam::operator-
+(
+    const constRealGasTransport<Thermo>& ct1,
+    const constRealGasTransport<Thermo>& ct2
+)
+{
+    Thermo t
+    (
+        static_cast<const Thermo&>(ct1) - static_cast<const Thermo&>(ct2)
+    );
+
+    scalar molr1 = ct1.nMoles()/t.nMoles();
+    scalar molr2 = ct2.nMoles()/t.nMoles();
+
+    return constRealGasTransport<Thermo>
+    (
+        t,
+        molr1*ct1.mu_ - molr2*ct2.mu_,
+        molr1*ct1.rPr_ - molr2*ct2.rPr_
+    );
+}
+
+
+template<class Thermo>
+inline Foam::constRealGasTransport<Thermo> Foam::operator*
+(
+    const scalar s,
+    const constRealGasTransport<Thermo>& ct
+)
+{
+    return constRealGasTransport<Thermo>
+    (
+        s*static_cast<const Thermo&>(ct),
+        ct.mu_,
+        ct.rPr_
+    );
+}
+
+
+template<class Thermo>
+inline Foam::constRealGasTransport<Thermo> Foam::operator==
+(
+    const constRealGasTransport<Thermo>& ct1,
+    const constRealGasTransport<Thermo>& ct2
+)
+{
+    return ct2 - ct1;
+}
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// ************************************************************************* //

src/thermophysicalModels/specie/transport/sutherland/sutherlandTransport.H

@@ -159,11 +159,11 @@ public:
         //- Thermal diffusivity for enthalpy [kg/ms]
         inline scalar alpha(const scalar T) const;
 
-        //- Thermal conductivity [W/mK]
+        //- Thermal conductivity [W/mK] for real gas
-        inline scalar kappa(const scalar rho,const scalar T) const;
+        inline scalar kappa(const scalar rho, const scalar T) const;
 
-        //- Thermal diffusivity for enthalpy [kg/ms]
+        //- Thermal diffusivity for enthalpy [kg/ms] for real gas
-        inline scalar alpha(const scalar rho,const scalar T) const;
+        inline scalar alpha(const scalar rho, const scalar T) const;
 
         // Species diffusivity
         //inline scalar D(const scalar T) const;

src/thermophysicalModels/specie/transport/sutherland/sutherlandTransportI.H

@@ -150,31 +150,45 @@ inline scalar sutherlandTransport<thermo>::alpha(const scalar T) const
 
     scalar deltaT = T - specie::Tstd();
     scalar CpBar =
-        (deltaT*(this->H(T) - this->H(specie::Tstd())) + Cp_)/(sqr(deltaT) + 1);
+        (deltaT*(this->H(T) - this->H(specie::Tstd())) + Cp_)
+       /(sqr(deltaT) + 1);
 
-    return mu(T)*Cv_*(1.32 + 1.77*this->R()/Cv_)/CpBar;
+    return mu(T)*Cv_*(1.32 + 1.77*R_/Cv_)/CpBar;
 }
 
+
 // CL: for real gas thermo
 // Thermal conductivity [W/mK]
 template<class thermo>
-inline scalar sutherlandTransport<thermo>::kappa(const scalar rho, const scalar T) const
+inline scalar sutherlandTransport<thermo>::kappa
+(
+    const scalar rho,
+    const scalar T
+) const
 {
     scalar Cv_ = this->Cv(rho,T);
     return mu(T)*Cv_*(1.32 + 1.77*this->R()/Cv_);
 }
 
+
 // CL: for real gas thermo
 // Thermal diffusivity for enthalpy [kg/ms]
 template<class thermo>
-inline scalar sutherlandTransport<thermo>::alpha(const scalar rho, const scalar T) const
+inline scalar sutherlandTransport<thermo>::alpha
+(
+    const scalar rho,
+    const scalar T
+) const
 {
-    scalar Cv_ = this->Cv(rho,T);
+    scalar Cv_ = this->Cv(rho, T);
-    scalar Cp_ = this->Cp(rho,T);
+    scalar Cp_ = this->Cp(rho, T);
 
     scalar deltaT = T - specie::Tstd();
     scalar CpBar =
-        (deltaT*(this->H(rho, T) - this->H(this->rhostd(),specie::Tstd())) + Cp_)/(sqr(deltaT) + 1);
+    (
+        deltaT*(this->H(rho, T) - this->H(this->rhostd(), specie::Tstd()))
+      + Cp_
+    )/(sqr(deltaT) + 1);
 
     return mu(T)*Cv_*(1.32 + 1.77*this->R()/Cv_)/CpBar;
 }

tutorials/compressible/realFluidPisoFoam/ras/backStep/0/U

@@ -24,7 +24,7 @@ boundaryField
     inlet
     {
         type            pressureInletVelocity;
-        value           uniform (3.5 0 0);
+        value           uniform (1 0 0);
     }
     outlet
     {

tutorials/compressible/realFluidPisoFoam/ras/backStep/0/epsilon

@@ -1,9 +1,9 @@
 /*--------------------------------*- C++ -*----------------------------------*\
 | =========                 |                                                 |
-| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+| \\      /  F ield         | foam-extend: Open Source CFD                    |
-|  \\    /   O peration     | Version:  2.1.1                                 |
+|  \\    /   O peration     | Version:     4.0                                |
-|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|   \\  /    A nd           | Web:         http://www.foam-extend.org         |
-|    \\/     M anipulation  |                                                 |
+|    \\/     M anipulation  | For copyright notice see file Copyright         |
 \*---------------------------------------------------------------------------*/
 FoamFile
 {
@@ -21,22 +21,6 @@ internalField   uniform 1120;
 
 boundaryField
 {
-    upperWall
-    {
-        type            compressible::epsilonWallFunction;
-        Cmu             0.09;
-        kappa           0.41;
-        E               9.8;
-        value           uniform 1120;
-    }
-    lowerWall
-    {
-        type            compressible::epsilonWallFunction;
-        Cmu             0.09;
-        kappa           0.41;
-        E               9.8;
-        value           uniform 1120;
-    }
     inlet
     {
         type            fixedValue;
@@ -48,6 +32,24 @@ boundaryField
         inletValue      uniform 1120;
         value           uniform 1120;
     }
+    upperWall
+    {
+        type            compressible::epsilonWallFunction;
+        refValue        uniform 0;
+        value           uniform 1120;
+        Cmu             0.09;
+        kappa           0.41;
+        E               9.8;
+    }
+    lowerWall
+    {
+        type            compressible::epsilonWallFunction;
+        refValue        uniform 0;
+        value           uniform 1120;
+        Cmu             0.09;
+        kappa           0.41;
+        E               9.8;
+    }
     frontAndBack
     {
         type            empty;

tutorials/compressible/realFluidPisoFoam/ras/backStep/0/k

@@ -1,9 +1,9 @@
 /*--------------------------------*- C++ -*----------------------------------*\
 | =========                 |                                                 |
-| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+| \\      /  F ield         | foam-extend: Open Source CFD                    |
-|  \\    /   O peration     | Version:  2.1.1                                 |
+|  \\    /   O peration     | Version:     4.0                                |
-|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|   \\  /    A nd           | Web:         http://www.foam-extend.org         |
-|    \\/     M anipulation  |                                                 |
+|    \\/     M anipulation  | For copyright notice see file Copyright         |
 \*---------------------------------------------------------------------------*/
 FoamFile
 {
@@ -21,16 +21,6 @@ internalField   uniform 5;
 
 boundaryField
 {
-    upperWall
-    {
-        type            compressible::kqRWallFunction;
-        value           uniform 5;
-    }
-    lowerWall
-    {
-        type            compressible::kqRWallFunction;
-        value           uniform 5;
-    }
     inlet
     {
         type            turbulentIntensityKineticEnergyInlet;
@@ -43,6 +33,16 @@ boundaryField
     {
         type            zeroGradient;
     }
+    upperWall
+    {
+        type            compressible::kqRWallFunction;
+        value           uniform 5;
+    }
+    lowerWall
+    {
+        type            compressible::kqRWallFunction;
+        value           uniform 5;
+    }
     frontAndBack
     {
         type            empty;

tutorials/compressible/realFluidPisoFoam/ras/backStep/0/p

@@ -1,9 +1,9 @@
-/*--------------------------------*- C++ -*----------------------------------*\
+/*---------------------------------------------------------------------------*\
-| =========                 |                                                 |
+  =========                 |
-| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+  \\      /  F ield         | foam-extend: Open Source CFD
-|  \\    /   O peration     | Version:  1.7.1                                 |
+   \\    /   O peration     |
-|   \\  /    A nd           | Web:      www.OpenFOAM.com                      |
+    \\  /    A nd           | For copyright notice see file Copyright
-|    \\/     M anipulation  |                                                 |
+     \\/     M anipulation  |
 \*---------------------------------------------------------------------------*/
 FoamFile
 {

tutorials/compressible/realFluidPisoFoam/ras/backStep/constant/RASProperties

@@ -1,9 +1,9 @@
-/*--------------------------------*- C++ -*----------------------------------*\
+/*---------------------------------------------------------------------------*\
-| =========                 |                                                 |
+  =========                 |
-| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+  \\      /  F ield         | foam-extend: Open Source CFD
-|  \\    /   O peration     | Version:  1.6                                   |
+   \\    /   O peration     |
-|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+    \\  /    A nd           | For copyright notice see file Copyright
-|    \\/     M anipulation  |                                                 |
+     \\/     M anipulation  |
 \*---------------------------------------------------------------------------*/
 FoamFile
 {

tutorials/compressible/realFluidPisoFoam/ras/backStep/constant/polyMesh/blockMeshDict

@@ -1,9 +1,9 @@
-/*--------------------------------*- C++ -*----------------------------------*\
+/*---------------------------------------------------------------------------*\
-| =========                 |                                                 |
+  =========                 |
-| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+  \\      /  F ield         | foam-extend: Open Source CFD
-|  \\    /   O peration     | Version:  2.1.1                                 |
+   \\    /   O peration     |
-|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+    \\  /    A nd           | For copyright notice see file Copyright
-|    \\/     M anipulation  |                                                 |
+     \\/     M anipulation  |
 \*---------------------------------------------------------------------------*/
 FoamFile
 {

tutorials/compressible/realFluidPisoFoam/ras/backStep/constant/polyMesh/boundary

@@ -1,9 +1,9 @@
 /*--------------------------------*- C++ -*----------------------------------*\
 | =========                 |                                                 |
-| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+| \\      /  F ield         | foam-extend: Open Source CFD                    |
-|  \\    /   O peration     | Version:  2.1.1                                 |
+|  \\    /   O peration     | Version:     4.0                                |
-|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|   \\  /    A nd           | Web:         http://www.foam-extend.org         |
-|    \\/     M anipulation  |                                                 |
+|    \\/     M anipulation  | For copyright notice see file Copyright         |
 \*---------------------------------------------------------------------------*/
 FoamFile
 {

tutorials/compressible/realFluidPisoFoam/ras/backStep/constant/thermophysicalProperties

@@ -1,9 +1,9 @@
-/*--------------------------------*- C++ -*----------------------------------*\
+/*---------------------------------------------------------------------------*\
-| =========                 |                                                 |
+  =========                 |
-| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+  \\      /  F ield         | foam-extend: Open Source CFD
-|  \\    /   O peration     | Version:  1.6                                   |
+   \\    /   O peration     |
-|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+    \\  /    A nd           | For copyright notice see file Copyright
-|    \\/     M anipulation  |                                                 |
+     \\/     M anipulation  |
 \*---------------------------------------------------------------------------*/
 FoamFile
 {
@@ -16,44 +16,53 @@ FoamFile
 }
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
+//CL: List of possible real gas models 
 
+thermoType  realGasHThermo<pureMixture<sutherlandTransport<realGasSpecieThermo<nasaHeatCapacityPolynomial<redlichKwong>>>>>;
+mixture         CO2 1 44.01 73.773e5 304.13 49436.5054 -626.411601 5.30172524 0.002503813816 -0.0000002127308728 -0.000000000768998878 2.849677801e-13 1.4792e-06 116;
 
-thermoType      realGasHThermo<pureMixture<sutherlandTransport<realGasSpecieThermo<nasaHeatCapacityPolynomial<aungierRedlichKwong>>>>>;
+//thermoType  realGasHThermo<pureMixture<sutherlandTransport<realGasSpecieThermo<nasaHeatCapacityPolynomial<aungierRedlichKwong>>>>>;
-mixture         CO2 1 44.01 73.773e5 304.13 0.22394 467.6 49436.5054 -626.411601 5.30172524 0.002503813816 -0.0000002127308728 -0.000000000768998878 2.849677801E-13 1.4792e-06 116;
+//mixture CO2 1 44.01 73.773e5 304.13 0.22394 467.6 49436.5054 -626.411601 5.30172524 0.002503813816 -0.0000002127308728 -0.000000000768998878 2.849677801E-13 1.4792e-06 116;
 
-//thermoType      realGasHThermo<pureMixture<sutherlandTransport<realGasSpecieThermo<nasaHeatCapacityPolynomial<redlichKwong>>>>>;
+//thermoType  realGasHThermo<pureMixture<sutherlandTransport<realGasSpecieThermo<nasaHeatCapacityPolynomial<pengRobinson>>>>>;
-//mixture         CO2 1 44.01 73.773e5 304.13 0.22394 49436.5054 -626.411601 5.30172524 0.002503813816 -0.0000002127308728 -0.000000000768998878 2.849677801e-13 1.4792e-06 116;
-
-//thermoType      realGasHThermo<pureMixture<sutherlandTransport<realGasSpecieThermo<nasaHeatCapacityPolynomial<pengRobinson>>>>>;
 //mixture        CO2 1 44.01 73.773e5 304.13 0.22394 49436.5054 -626.411601 5.30172524 0.002503813816 -0.0000002127308728 -0.000000000768998878 2.849677801e-13 1.4792e-06 116;
 
-//thermoType      realGasHThermo<pureMixture<sutherlandTransport<realGasSpecieThermo<nasaHeatCapacityPolynomial<soaveRedlichKwong>>>>>;
+//thermoType  realGasHThermo<pureMixture<sutherlandTransport<realGasSpecieThermo<nasaHeatCapacityPolynomial<soaveRedlichKwong>>>>>;
 //mixture         CO2 1 44.01 73.773e5 304.13 0.22394 49436.5054 -626.411601 5.30172524 0.002503813816 -0.0000002127308728 -0.000000000768998878 2.849677801e-13 1.4792e-06 116;
 
-//thermoType      realGasHThermo<pureMixture<constTransport<realGasSpecieThermo<nasaHeatCapacityPolynomial<aungierRedlichKwong>>>>>;
-//mixture         CO2 1 44.01 73.773e5 304.13 0.22394 467.6 49436.5054 -626.411601 5.30172524 0.002503813816 -0.0000002127308728 -0.000000000768998878 2.849677801E-13 1e-06 0.7;
 
-//thermoType      realGasHThermo<pureMixture<constTransport<realGasSpecieThermo<nasaHeatCapacityPolynomial<redlichKwong>>>>>;
+//thermoType  realGasHThermo<pureMixture<sutherlandTransport<realGasSpecieThermo<constantHeatCapacity<redlichKwong>>>>>;
-//mixture         CO2 1 44.01 73.773e5 304.13 0.22394 49436.5054 -626.411601 5.30172524 0.002503813816 -0.0000002127308728 -0.000000000768998878 2.849677801e-13 1e-06 0.7;
+//mixture         CO2 1 44.01 73.773e5 304.13 839 1.4792e-06 116;
 
-//thermoType      realGasHThermo<pureMixture<constTransport<realGasSpecieThermo<nasaHeatCapacityPolynomial<pengRobinson>>>>>;
+//thermoType  realGasHThermo<pureMixture<sutherlandTransport<realGasSpecieThermo<constantHeatCapacity<aungierRedlichKwong>>>>>;
-//mixture        CO2 1 44.01 73.773e5 304.13 0.22394 49436.5054 -626.411601 5.30172524 0.002503813816 -0.0000002127308728 -0.000000000768998878 2.849677801e-13 1e-06 0.7;
 
-//thermoType      realGasHThermo<pureMixture<constTransport<realGasSpecieThermo<nasaHeatCapacityPolynomial<soaveRedlichKwong>>>>>;
+
-//mixture         CO2 1 44.01 73.773e5 304.13 0.22394 49436.5054 -626.411601 5.30172524 0.002503813816 -0.0000002127308728 -0.000000000768998878 2.849677801e-13 1e-06 0.7;
+//thermoType  realGasHThermo<pureMixture<sutherlandTransport<realGasSpecieThermo<constantHeatCapacity<pengRobinson>>>>>;
+//thermoType  realGasHThermo<pureMixture<sutherlandTransport<realGasSpecieThermo<constantHeatCapacity<soaveRedlichKwong>>>>>;
+
+//thermoType  realGasHThermo<pureMixture<constRealGasTransport<realGasSpecieThermo<nasaHeatCapacityPolynomial<redlichKwong>>>>>;
+//thermoType  realGasHThermo<pureMixture<constRealGasTransport<realGasSpecieThermo<nasaHeatCapacityPolynomial<pengRobinson>>>>>;
+//thermoType  realGasHThermo<pureMixture<constRealGasTransport<realGasSpecieThermo<nasaHeatCapacityPolynomial<aungierRedlichKwong>>>>>;
+//thermoType  realGasHThermo<pureMixture<constRealGasTransport<realGasSpecieThermo<nasaHeatCapacityPolynomial<soaveRedlichKwong>>>>>;
+//thermoType  realGasHThermo<pureMixture<constRealGasTransport<realGasSpecieThermo<constantHeatCapacity<redlichKwong>>>>>;
+//thermoType  realGasHThermo<pureMixture<constRealGasTransport<realGasSpecieThermo<constantHeatCapacity<pengRobinson>>>>>;
+//thermoType  realGasHThermo<pureMixture<constRealGasTransport<realGasSpecieThermo<constantHeatCapacity<aungierRedlichKwong>>>>>;
+//thermoType  realGasHThermo<pureMixture<constRealGasTransport<realGasSpecieThermo<constantHeatCapacity<soaveRedlichKwong>>>>>;
 
 
 
+//CL: description of coefficients
 // *********************************************************************************************************************** //
-//  Coefficient 
+//   Coefficient: 
 //   CO2			  	--> Name
 //   1
 //   44.01   				--> Molar Volume
 //   77.773e5 				--> critical pressure
 //   304.13 				--> critical temperatur
-//   0.22394 				--> acentric factor
+//   0.22394 				--> acentric factor (not needed for redlich kwong)
 //   467.6     				--> critical density (only for aungier redlich kwong)
 //   49436.5054 --> 2.849677801e-13 	--> 7 heat capacity polynomial coefficent's
-//   ....				--> two coefficent's for sutherland model or for the constTransport model
+//   ....				--> two coefficent's for sutherlandTransport or for the constRealGasTransport model
+//   839                                --> perfect gas heat capacity Cp0 (J/kgK), needed for constantHeatCapacity
 // *********************************************************************************************************************** //
-// ************************************************************************* //
+

tutorials/compressible/realFluidPisoFoam/ras/backStep/constant/turbulenceProperties

@@ -1,9 +1,9 @@
-/*--------------------------------*- C++ -*----------------------------------*\
+/*---------------------------------------------------------------------------*\
-| =========                 |                                                 |
+  =========                 |
-| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+  \\      /  F ield         | foam-extend: Open Source CFD
-|  \\    /   O peration     | Version:  1.6                                   |
+   \\    /   O peration     |
-|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+    \\  /    A nd           | For copyright notice see file Copyright
-|    \\/     M anipulation  |                                                 |
+     \\/     M anipulation  |
 \*---------------------------------------------------------------------------*/
 FoamFile
 {

tutorials/compressible/realFluidPisoFoam/ras/backStep/system/controlDict

@@ -1,9 +1,9 @@
-/*--------------------------------*- C++ -*----------------------------------*\
+/*---------------------------------------------------------------------------*\
-| =========                 |                                                 |
+  =========                 |
-| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+  \\      /  F ield         | foam-extend: Open Source CFD
-|  \\    /   O peration     | Version:  1.6                                   |
+   \\    /   O peration     |
-|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+    \\  /    A nd           | For copyright notice see file Copyright
-|    \\/     M anipulation  |                                                 |
+     \\/     M anipulation  |
 \*---------------------------------------------------------------------------*/
 FoamFile
 {
@@ -19,6 +19,8 @@ application     realFluidPisoFoam;
 
 startFrom       latestTime;
 
+//startTime       0;
+
 stopAt          endTime;
 
 endTime         0.5;
@@ -27,7 +29,7 @@ deltaT          1e-5;
 
 writeControl    runTime;
 
-writeInterval   1e-2;
+writeInterval   0.1;
 
 purgeWrite      0;
 
@@ -43,7 +45,7 @@ timePrecision   10;
 
 adjustTimeStep  yes;
 
-maxCo           0.5;
+maxCo          0.5;
 
 maxDeltaT       1e-2;
 

tutorials/compressible/realFluidPisoFoam/ras/backStep/system/fvSchemes

@@ -1,9 +1,9 @@
-/*--------------------------------*- C++ -*----------------------------------*\
+/*---------------------------------------------------------------------------*\
-| =========                 |                                                 |
+  =========                 |
-| \\      /  F ield         | OpenFOAM Extend Project: Open Source CFD        |
+  \\      /  F ield         | foam-extend: Open Source CFD
-|  \\    /   O peration     | Version:  1.6-ext                               |
+   \\    /   O peration     |
-|   \\  /    A nd           | Web:      www.extend-project.de                 |
+    \\  /    A nd           | For copyright notice see file Copyright
-|    \\/     M anipulation  |                                                 |
+     \\/     M anipulation  |
 \*---------------------------------------------------------------------------*/
 FoamFile
 {

tutorials/compressible/realFluidPisoFoam/ras/backStep/system/fvSolution

@@ -1,9 +1,9 @@
-/*--------------------------------*- C++ -*----------------------------------*\
+/*---------------------------------------------------------------------------*\
-| =========                 |                                                 |
+  =========                 |
-| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+  \\      /  F ield         | foam-extend: Open Source CFD
-|  \\    /   O peration     |                                  |
+   \\    /   O peration     |
-|   \\  /    A nd           |                   
+    \\  /    A nd           | For copyright notice see file Copyright
-|    \\/     M anipulation  |                                                 |
+     \\/     M anipulation  |
 \*---------------------------------------------------------------------------*/
 FoamFile
 {
@@ -17,19 +17,18 @@ FoamFile
 
 solvers
 {
-
+    p
-p
+    {
-{
         solver          GAMG;
         tolerance       1e-14;
         relTol          0.001;
         smoother        GaussSeidel;
-	minIter		4;	
+        minIter		    4;	
-	//maxIter		100;
+        //maxIter		100;
         cacheAgglomeration true;
-	nPreSweeps	1;
+        nPreSweeps	    1;
-	nPostSweeps	3;
+        nPostSweeps	    3;
-	nFinestSweeps	3;
+        nFinestSweeps	3;
         nCellsInCoarsestLevel 20;
         agglomerator    faceAreaPair;
         mergeLevels     1;
@@ -88,7 +87,6 @@ p
 
 PISO
 {
-    realFluid true;
     nNonOrthogonalCorrectors 0;
     nCorrectors     2;
     momentumPredictor yes;

tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0.org/T

@@ -0,0 +1,49 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | foam-extend: Open Source CFD
+   \\    /   O peration     |
+    \\  /    A nd           | For copyright notice see file Copyright
+     \\/     M anipulation  |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volScalarField;
+    location    "0";
+    object      T;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 0 0 1 0 0 0];
+
+internalField uniform 500;
+
+boundaryField
+{
+    inlet
+    {
+        type            fixedValue;
+        value           uniform 500;
+    }
+    outlet
+    {
+        type            zeroGradient;
+    }
+
+    upperWall
+    {
+        type            zeroGradient;
+    }
+    lowerWall
+    {
+        type            zeroGradient;
+    }
+    frontAndBack
+    {
+        type            empty;
+    }
+}
+
+
+// ************************************************************************* //

tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0.org/U

@@ -0,0 +1,51 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | foam-extend: Open Source CFD
+   \\    /   O peration     |
+    \\  /    A nd           | For copyright notice see file Copyright
+     \\/     M anipulation  |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volVectorField;
+    location    "0";
+    object      U;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 1 -1 0 0 0 0];
+
+internalField   uniform (0 0 0);
+
+boundaryField
+{
+    inlet
+    {
+        type            fixedValue;
+        value           uniform (1 0 0);
+    }
+    outlet
+    {
+        type            zeroGradient;
+    }
+
+    upperWall
+    {
+        type            fixedValue;
+        value           uniform (0 0 0);
+    }
+    lowerWall
+    {
+        type            fixedValue;
+        value           uniform (0 0 0);
+    }
+    frontAndBack
+    {
+        type            empty;
+    }
+}
+
+
+// ************************************************************************* //

tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0.org/epsilon

@@ -0,0 +1,58 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | foam-extend: Open Source CFD
+   \\    /   O peration     |
+    \\  /    A nd           | For copyright notice see file Copyright
+     \\/     M anipulation  |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volScalarField;
+    location    "0";
+    object      epsilon;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 2 -3 0 0 0 0];
+
+internalField   uniform 1120;
+
+boundaryField
+{
+    upperWall
+    {
+        type            compressible::epsilonWallFunction;
+        Cmu             0.09;
+        kappa           0.41;
+        E               9.8;
+        value           uniform 1120;
+    }
+    lowerWall
+    {
+        type            compressible::epsilonWallFunction;
+        Cmu             0.09;
+        kappa           0.41;
+        E               9.8;
+        value           uniform 1120;
+    }
+    inlet
+    {
+        type            fixedValue;
+        value           uniform 1120;
+    }
+    outlet
+    {
+        type            inletOutlet;
+        inletValue      uniform 1120;
+        value           uniform 1120;
+    }
+    frontAndBack
+    {
+        type            empty;
+    }
+}
+
+
+// ************************************************************************* //

tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0.org/k

@@ -0,0 +1,53 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | foam-extend: Open Source CFD
+   \\    /   O peration     |
+    \\  /    A nd           | For copyright notice see file Copyright
+     \\/     M anipulation  |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volScalarField;
+    location    "0";
+    object      k;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 2 -2 0 0 0 0];
+
+internalField   uniform 5;
+
+boundaryField
+{
+    upperWall
+    {
+        type            compressible::kqRWallFunction;
+        value           uniform 5;
+    }
+    lowerWall
+    {
+        type            compressible::kqRWallFunction;
+        value           uniform 5;
+    }
+    inlet
+    {
+        type            turbulentIntensityKineticEnergyInlet;
+        intensity       0.01;
+        U               U;
+        phi             phi;
+        value           uniform 5;
+    }
+    outlet
+    {
+        type            zeroGradient;
+    }
+    frontAndBack
+    {
+        type            empty;
+    }
+}
+
+
+// ************************************************************************* //

tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0.org/p

@@ -0,0 +1,49 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | foam-extend: Open Source CFD
+   \\    /   O peration     |
+    \\  /    A nd           | For copyright notice see file Copyright
+     \\/     M anipulation  |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volScalarField;
+    location    "0";
+    object      p;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [1 -1 -2 0 0 0 0];
+
+internalField   uniform 10e5;
+
+boundaryField
+{
+    inlet
+    {
+        type            zeroGradient;
+    }
+    outlet
+    {
+        type            fixedValue;
+        value           uniform 1e+06;
+    }
+
+    upperWall
+    {
+        type            zeroGradient;
+    }
+    lowerWall
+    {
+        type            zeroGradient;
+    }
+    frontAndBack
+    {
+        type            empty;
+    }
+}
+
+
+// ************************************************************************* //

tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0/T

@@ -0,0 +1,49 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | foam-extend: Open Source CFD
+   \\    /   O peration     |
+    \\  /    A nd           | For copyright notice see file Copyright
+     \\/     M anipulation  |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volScalarField;
+    location    "0";
+    object      T;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 0 0 1 0 0 0];
+
+internalField uniform 500;
+
+boundaryField
+{
+    inlet
+    {
+        type            fixedValue;
+        value           uniform 500;
+    }
+    outlet
+    {
+        type            zeroGradient;
+    }
+
+    upperWall
+    {
+        type            zeroGradient;
+    }
+    lowerWall
+    {
+        type            zeroGradient;
+    }
+    frontAndBack
+    {
+        type            empty;
+    }
+}
+
+
+// ************************************************************************* //

tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0/U

@@ -0,0 +1,51 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | foam-extend: Open Source CFD
+   \\    /   O peration     |
+    \\  /    A nd           | For copyright notice see file Copyright
+     \\/     M anipulation  |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volVectorField;
+    location    "0";
+    object      U;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 1 -1 0 0 0 0];
+
+internalField   uniform (0 0 0);
+
+boundaryField
+{
+    inlet
+    {
+        type            fixedValue;
+        value           uniform (1 0 0);
+    }
+    outlet
+    {
+        type            zeroGradient;
+    }
+
+    upperWall
+    {
+        type            fixedValue;
+        value           uniform (0 0 0);
+    }
+    lowerWall
+    {
+        type            fixedValue;
+        value           uniform (0 0 0);
+    }
+    frontAndBack
+    {
+        type            empty;
+    }
+}
+
+
+// ************************************************************************* //

tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0/epsilon

@@ -0,0 +1,60 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | foam-extend: Open Source CFD                    |
+|  \\    /   O peration     | Version:     4.0                                |
+|   \\  /    A nd           | Web:         http://www.foam-extend.org         |
+|    \\/     M anipulation  | For copyright notice see file Copyright         |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volScalarField;
+    location    "0";
+    object      epsilon;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 2 -3 0 0 0 0];
+
+internalField   uniform 1120;
+
+boundaryField
+{
+    inlet
+    {
+        type            fixedValue;
+        value           uniform 1120;
+    }
+    outlet
+    {
+        type            inletOutlet;
+        inletValue      uniform 1120;
+        value           uniform 1120;
+    }
+    upperWall
+    {
+        type            compressible::epsilonWallFunction;
+        refValue        uniform 0;
+        value           uniform 1120;
+        Cmu             0.09;
+        kappa           0.41;
+        E               9.8;
+    }
+    lowerWall
+    {
+        type            compressible::epsilonWallFunction;
+        refValue        uniform 0;
+        value           uniform 1120;
+        Cmu             0.09;
+        kappa           0.41;
+        E               9.8;
+    }
+    frontAndBack
+    {
+        type            empty;
+    }
+}
+
+
+// ************************************************************************* //

tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0/k

@@ -0,0 +1,53 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | foam-extend: Open Source CFD                    |
+|  \\    /   O peration     | Version:     4.0                                |
+|   \\  /    A nd           | Web:         http://www.foam-extend.org         |
+|    \\/     M anipulation  | For copyright notice see file Copyright         |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volScalarField;
+    location    "0";
+    object      k;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 2 -2 0 0 0 0];
+
+internalField   uniform 5;
+
+boundaryField
+{
+    inlet
+    {
+        type            turbulentIntensityKineticEnergyInlet;
+        intensity       0.01;
+        U               U;
+        phi             phi;
+        value           uniform 5;
+    }
+    outlet
+    {
+        type            zeroGradient;
+    }
+    upperWall
+    {
+        type            compressible::kqRWallFunction;
+        value           uniform 5;
+    }
+    lowerWall
+    {
+        type            compressible::kqRWallFunction;
+        value           uniform 5;
+    }
+    frontAndBack
+    {
+        type            empty;
+    }
+}
+
+
+// ************************************************************************* //

tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0/p

@@ -0,0 +1,49 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | foam-extend: Open Source CFD
+   \\    /   O peration     |
+    \\  /    A nd           | For copyright notice see file Copyright
+     \\/     M anipulation  |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volScalarField;
+    location    "0";
+    object      p;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [1 -1 -2 0 0 0 0];
+
+internalField   uniform 10e5;
+
+boundaryField
+{
+    inlet
+    {
+        type            zeroGradient;
+    }
+    outlet
+    {
+        type            fixedValue;
+        value           uniform 1e+06;
+    }
+
+    upperWall
+    {
+        type            zeroGradient;
+    }
+    lowerWall
+    {
+        type            zeroGradient;
+    }
+    frontAndBack
+    {
+        type            empty;
+    }
+}
+
+
+// ************************************************************************* //

tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/Allrun

@@ -0,0 +1,9 @@
+#!/bin/sh
+cd ${0%/*} || exit 1    # run from this directory
+
+
+# Source tutorial run functions
+. $WM_PROJECT_DIR/bin/tools/RunFunctions
+
+runApplication blockMesh
+runApplication `getApplication`

tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/constant/RASProperties

@@ -0,0 +1,25 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | foam-extend: Open Source CFD
+   \\    /   O peration     |
+    \\  /    A nd           | For copyright notice see file Copyright
+     \\/     M anipulation  |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "constant";
+    object      RASProperties;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+RASModel        kEpsilon;
+
+turbulence      on;
+
+printCoeffs     on;
+
+
+// ************************************************************************* //

tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/constant/polyMesh/blockMeshDict

@@ -0,0 +1,173 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | foam-extend: Open Source CFD
+   \\    /   O peration     |
+    \\  /    A nd           | For copyright notice see file Copyright
+     \\/     M anipulation  |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    object      blockMeshDict;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+convertToMeters 0.001;
+
+vertices
+(
+    (-20.6 0 -0.5)
+    (-20.6 3 -0.5)
+    (-20.6 12.7 -0.5)
+    (-20.6 25.4 -0.5)
+    (0 -25.4 -0.5)
+    (0 -5 -0.5)
+    (0 0 -0.5)
+    (0 3 -0.5)
+    (0 12.7 -0.5)
+    (0 25.4 -0.5)
+    (206 -25.4 -0.5)
+    (206 -8.5 -0.5)
+    (206 0 -0.5)
+    (206 6.5 -0.5)
+    (206 17 -0.5)
+    (206 25.4 -0.5)
+    (290 -16.6 -0.5)
+    (290 -6.3 -0.5)
+    (290 0 -0.5)
+    (290 4.5 -0.5)
+    (290 11 -0.5)
+    (290 16.6 -0.5)
+    (-20.6 0 0.5)
+    (-20.6 3 0.5)
+    (-20.6 12.7 0.5)
+    (-20.6 25.4 0.5)
+    (0 -25.4 0.5)
+    (0 -5 0.5)
+    (0 0 0.5)
+    (0 3 0.5)
+    (0 12.7 0.5)
+    (0 25.4 0.5)
+    (206 -25.4 0.5)
+    (206 -8.5 0.5)
+    (206 0 0.5)
+    (206 6.5 0.5)
+    (206 17 0.5)
+    (206 25.4 0.5)
+    (290 -16.6 0.5)
+    (290 -6.3 0.5)
+    (290 0 0.5)
+    (290 4.5 0.5)
+    (290 11 0.5)
+    (290 16.6 0.5)
+);
+
+blocks
+(
+    hex (0 6 7 1 22 28 29 23) (18 7 1) simpleGrading (0.5 1.8 1)
+    hex (1 7 8 2 23 29 30 24) (18 10 1) simpleGrading (0.5 4 1)
+    hex (2 8 9 3 24 30 31 25) (18 13 1) simpleGrading (0.5 0.25 1)
+    hex (4 10 11 5 26 32 33 27) (180 18 1) simpleGrading (4 1 1)
+    hex (5 11 12 6 27 33 34 28) (180 9 1) edgeGrading (4 4 4 4 0.5 1 1 0.5 1 1 1 1)
+    hex (6 12 13 7 28 34 35 29) (180 7 1) edgeGrading (4 4 4 4 1.8 1 1 1.8 1 1 1 1)
+    hex (7 13 14 8 29 35 36 30) (180 10 1) edgeGrading (4 4 4 4 4 1 1 4 1 1 1 1)
+    hex (8 14 15 9 30 36 37 31) (180 13 1) simpleGrading (4 0.25 1)
+    hex (10 16 17 11 32 38 39 33) (25 18 1) simpleGrading (2.5 1 1)
+    hex (11 17 18 12 33 39 40 34) (25 9 1) simpleGrading (2.5 1 1)
+    hex (12 18 19 13 34 40 41 35) (25 7 1) simpleGrading (2.5 1 1)
+    hex (13 19 20 14 35 41 42 36) (25 10 1) simpleGrading (2.5 1 1)
+    hex (14 20 21 15 36 42 43 37) (25 13 1) simpleGrading (2.5 0.25 1)
+);
+
+edges
+(
+);
+
+boundary
+(
+    inlet
+    {
+        type patch;
+        faces
+        (
+            (0 22 23 1)
+            (1 23 24 2)
+            (2 24 25 3)
+        );
+    }
+    outlet
+    {
+        type patch;
+        faces
+        (
+            (16 17 39 38)
+            (17 18 40 39)
+            (18 19 41 40)
+            (19 20 42 41)
+            (20 21 43 42)
+        );
+    }
+    upperWall
+    {
+        type wall;
+        faces
+        (
+            (3 25 31 9)
+            (9 31 37 15)
+            (15 37 43 21)
+        );
+    }
+    lowerWall
+    {
+        type wall;
+        faces
+        (
+            (0 6 28 22)
+            (6 5 27 28)
+            (5 4 26 27)
+            (4 10 32 26)
+            (10 16 38 32)
+        );
+    }
+    frontAndBack
+    {
+        type empty;
+        faces
+        (
+            (22 28 29 23)
+            (23 29 30 24)
+            (24 30 31 25)
+            (26 32 33 27)
+            (27 33 34 28)
+            (28 34 35 29)
+            (29 35 36 30)
+            (30 36 37 31)
+            (32 38 39 33)
+            (33 39 40 34)
+            (34 40 41 35)
+            (35 41 42 36)
+            (36 42 43 37)
+            (0 1 7 6)
+            (1 2 8 7)
+            (2 3 9 8)
+            (4 5 11 10)
+            (5 6 12 11)
+            (6 7 13 12)
+            (7 8 14 13)
+            (8 9 15 14)
+            (10 11 17 16)
+            (11 12 18 17)
+            (12 13 19 18)
+            (13 14 20 19)
+            (14 15 21 20)
+        );
+    }
+);
+
+mergePatchPairs
+(
+);
+
+// ************************************************************************* //

tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/constant/polyMesh/boundary

@@ -0,0 +1,52 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | foam-extend: Open Source CFD                    |
+|  \\    /   O peration     | Version:     4.0                                |
+|   \\  /    A nd           | Web:         http://www.foam-extend.org         |
+|    \\/     M anipulation  | For copyright notice see file Copyright         |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       polyBoundaryMesh;
+    location    "constant/polyMesh";
+    object      boundary;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+5
+(
+    inlet
+    {
+        type            patch;
+        nFaces          30;
+        startFace       24170;
+    }
+    outlet
+    {
+        type            patch;
+        nFaces          57;
+        startFace       24200;
+    }
+    upperWall
+    {
+        type            wall;
+        nFaces          223;
+        startFace       24257;
+    }
+    lowerWall
+    {
+        type            wall;
+        nFaces          250;
+        startFace       24480;
+    }
+    frontAndBack
+    {
+        type            empty;
+        nFaces          24450;
+        startFace       24730;
+    }
+)
+
+// ************************************************************************* //

tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/constant/thermophysicalProperties

@@ -0,0 +1,23 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | foam-extend: Open Source CFD
+   \\    /   O peration     |
+    \\  /    A nd           | For copyright notice see file Copyright
+     \\/     M anipulation  |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+
+    location    "constant";
+    object      thermophysicalProperties;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+//CL: this is all
+thermoType   IAPWSThermo;   
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/constant/turbulenceProperties

@@ -0,0 +1,21 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | foam-extend: Open Source CFD
+   \\    /   O peration     |
+    \\  /    A nd           | For copyright notice see file Copyright
+     \\/     M anipulation  |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "constant";
+    object      turbulenceProperties;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+simulationType  RASModel;
+
+
+// ************************************************************************* //

tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/system/controlDict

@@ -0,0 +1,61 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.6                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "system";
+    object      controlDict;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+application     realFluidPisoFoam;
+
+startFrom       latestTime;
+
+//startTime       0;
+
+stopAt          endTime;
+
+endTime         0.5;
+
+deltaT          1e-5;
+
+writeControl    runTime;
+
+writeInterval  1e-1;
+
+purgeWrite      0;
+
+writeFormat     ascii;
+
+writePrecision  6;
+
+writeCompression uncompressed;
+
+timeFormat      general;
+
+timePrecision   10;
+
+adjustTimeStep  yes;
+
+maxCo          0.75;
+
+maxDeltaT       0.01;
+
+runTimeModifiable yes;
+
+libs
+(
+    "libIAPWSThermo.so"
+    "libfreesteam.so"
+);
+
+
+// ************************************************************************* //

tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/system/fvSchemes

@@ -0,0 +1,70 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | foam-extend: Open Source CFD
+   \\    /   O peration     |
+    \\  /    A nd           | For copyright notice see file Copyright
+     \\/     M anipulation  |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "system";
+    object      fvSchemes;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+ddtSchemes
+{
+    default         Euler;
+}
+
+gradSchemes
+{
+    default         Gauss linear;
+    grad(p)         Gauss linear;
+}
+
+divSchemes
+{
+    default         none;
+    div(phi,U)      Gauss limitedLinearV 1;
+    div(phid,p)     Gauss limitedLinear 1;
+    div(phiU,p)     Gauss linear;
+    div(phi,h)      Gauss limitedLinear 1;
+    div(phi,k)      Gauss limitedLinear 1;
+    div(phi,epsilon) Gauss limitedLinear 1;
+    div(phi,R)      Gauss limitedLinear 1;
+    div(phi,omega)  Gauss limitedLinear 1;
+    div((rho*R))    Gauss linear;
+    div(R)          Gauss linear;
+    div(U)          Gauss linear;
+    div((muEff*dev2(T(grad(U))))) Gauss linear;
+}
+
+laplacianSchemes
+{
+    default         none;
+    laplacian(muEff,U) Gauss linear corrected;
+    laplacian(mut,U) Gauss linear corrected;
+    laplacian(DkEff,k) Gauss linear corrected;
+    laplacian(DepsilonEff,epsilon) Gauss linear corrected;
+    laplacian(DREff,R) Gauss linear corrected;
+    laplacian(DomegaEff,omega) Gauss linear corrected;
+    laplacian((rho*(1|A(U))),p) Gauss linear corrected;
+    laplacian(alphaEff,h) Gauss linear corrected;
+}
+
+interpolationSchemes
+{
+    default         linear;
+}
+
+snGradSchemes
+{
+    default         corrected;
+}
+
+
+// ************************************************************************* //

tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/system/fvSolution

@@ -0,0 +1,96 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | foam-extend: Open Source CFD
+   \\    /   O peration     |
+    \\  /    A nd           | For copyright notice see file Copyright
+     \\/     M anipulation  |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "system";
+    object      fvSolution;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+solvers
+{
+    p
+    {
+        solver          GAMG;
+        tolerance       1e-14;
+        relTol          0.001;
+        smoother        GaussSeidel;
+        minIter		    4;	
+        //maxIter		100;
+        cacheAgglomeration true;
+        nPreSweeps	    1;
+        nPostSweeps	    3;
+        nFinestSweeps	3;
+        nCellsInCoarsestLevel 20;
+        agglomerator    faceAreaPair;
+        mergeLevels     1;
+}
+
+    U
+    {
+        solver          smoothSolver;
+        smoother        GaussSeidel;
+        nSweeps         2;
+        tolerance       1e-14;
+        relTol          0.001;
+    }
+
+    rho
+    {
+        solver          PCG;
+        preconditioner  DIC;
+        tolerance       1e-10;
+        relTol          0;
+    }
+
+    htot
+    {
+        solver          smoothSolver;
+        smoother        GaussSeidel;
+        nSweeps         2;
+        tolerance       1e-14;
+        relTol          0.001;
+    }
+
+    h
+    {
+        solver          smoothSolver;
+        smoother        GaussSeidel;
+        nSweeps         2;
+        tolerance       1e-14;
+        relTol          0.001;
+    }
+
+    k
+    {
+        solver          PBiCG;
+        preconditioner  DILU;
+        tolerance       1e-10;
+        relTol          0;
+    }
+    epsilon
+    {
+        solver          PBiCG;
+        preconditioner  DILU;
+        tolerance       1e-10;
+        relTol          0;
+    }
+}
+
+PISO
+{
+    nNonOrthogonalCorrectors 0;
+    nCorrectors     2;
+    momentumPredictor yes;
+}
+
+
+// ************************************************************************* //

tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0.org/T

@@ -1,9 +1,9 @@
-/*--------------------------------*- C++ -*----------------------------------*\
+/*---------------------------------------------------------------------------*\
-| =========                 |                                                 |
+  =========                 |
-| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+  \\      /  F ield         | foam-extend: Open Source CFD
-|  \\    /   O peration     | Version:  2.1.x                                 |
+   \\    /   O peration     |
-|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+    \\  /    A nd           | For copyright notice see file Copyright
-|    \\/     M anipulation  |                                                 |
+     \\/     M anipulation  |
 \*---------------------------------------------------------------------------*/
 FoamFile
 {

tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0.org/U

@@ -1,9 +1,9 @@
-/*--------------------------------*- C++ -*----------------------------------*\
+/*---------------------------------------------------------------------------*\
-| =========                 |                                                 |
+  =========                 |
-| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+  \\      /  F ield         | foam-extend: Open Source CFD
-|  \\    /   O peration     | Version:  2.1.x                                 |
+   \\    /   O peration     |
-|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+    \\  /    A nd           | For copyright notice see file Copyright
-|    \\/     M anipulation  |                                                 |
+     \\/     M anipulation  |
 \*---------------------------------------------------------------------------*/
 FoamFile
 {

tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0.org/epsilon

@@ -1,8 +1,8 @@
 /*--------------------------------*- C++ -*----------------------------------*\
 | =========                 |                                                 |
-| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+| \\      /  F ield         | foam-extend: Open Source CFD                    |
-|  \\    /   O peration     | Version:  2.1.x                                 |
+|  \\    /   O peration     | Version:     3.1                                |
-|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|   \\  /    A nd           | Web:         http://www.extend-project.de       |
 |    \\/     M anipulation  |                                                 |
 \*---------------------------------------------------------------------------*/
 FoamFile
@@ -15,7 +15,7 @@ FoamFile
 }
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-dimensions      [ 0 2 -3 0 0 0 0 ];
+dimensions      [0 2 -3 0 0 0 0];
 
 internalField   uniform 0.000765;
 
@@ -24,15 +24,21 @@ boundaryField
     movingWall
     {
         type            compressible::epsilonWallFunction;
-        value           uniform 0;
+        refValue        uniform 0;
+        value           uniform 0.000765;
+        Cmu             0.09;
+        kappa           0.41;
+        E               9.8;
     }
-
     fixedWalls
     {
         type            compressible::epsilonWallFunction;
-        value           uniform 0;
+        refValue        uniform 0;
+        value           uniform 0.000765;
+        Cmu             0.09;
+        kappa           0.41;
+        E               9.8;
     }
-
     frontAndBack
     {
         type            empty;

tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0.org/k

@@ -1,8 +1,8 @@
 /*--------------------------------*- C++ -*----------------------------------*\
 | =========                 |                                                 |
-| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+| \\      /  F ield         | foam-extend: Open Source CFD                    |
-|  \\    /   O peration     | Version:  2.1.x                                 |
+|  \\    /   O peration     | Version:     3.1                                |
-|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|   \\  /    A nd           | Web:         http://www.extend-project.de       |
 |    \\/     M anipulation  |                                                 |
 \*---------------------------------------------------------------------------*/
 FoamFile

tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0.org/p

@@ -1,9 +1,9 @@
-/*--------------------------------*- C++ -*----------------------------------*\
+/*---------------------------------------------------------------------------*\
-| =========                 |                                                 |
+  =========                 |
-| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+  \\      /  F ield         | foam-extend: Open Source CFD
-|  \\    /   O peration     | Version:  2.1.x                                 |
+   \\    /   O peration     |
-|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+    \\  /    A nd           | For copyright notice see file Copyright
-|    \\/     M anipulation  |                                                 |
+     \\/     M anipulation  |
 \*---------------------------------------------------------------------------*/
 FoamFile
 {

tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0/T

@@ -1,9 +1,9 @@
-/*--------------------------------*- C++ -*----------------------------------*\
+/*---------------------------------------------------------------------------*\
-| =========                 |                                                 |
+  =========                 |
-| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+  \\      /  F ield         | foam-extend: Open Source CFD
-|  \\    /   O peration     | Version:  2.1.x                                 |
+   \\    /   O peration     |
-|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+    \\  /    A nd           | For copyright notice see file Copyright
-|    \\/     M anipulation  |                                                 |
+     \\/     M anipulation  |
 \*---------------------------------------------------------------------------*/
 FoamFile
 {

tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0/U

@@ -1,9 +1,9 @@
-/*--------------------------------*- C++ -*----------------------------------*\
+/*---------------------------------------------------------------------------*\
-| =========                 |                                                 |
+  =========                 |
-| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+  \\      /  F ield         | foam-extend: Open Source CFD
-|  \\    /   O peration     | Version:  2.1.x                                 |
+   \\    /   O peration     |
-|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+    \\  /    A nd           | For copyright notice see file Copyright
-|    \\/     M anipulation  |                                                 |
+     \\/     M anipulation  |
 \*---------------------------------------------------------------------------*/
 FoamFile
 {

tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0/epsilon

@@ -1,9 +1,9 @@
 /*--------------------------------*- C++ -*----------------------------------*\
 | =========                 |                                                 |
-| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+| \\      /  F ield         | foam-extend: Open Source CFD                    |
-|  \\    /   O peration     | Version:  2.1.x                                 |
+|  \\    /   O peration     | Version:     4.0                                |
-|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|   \\  /    A nd           | Web:         http://www.foam-extend.org         |
-|    \\/     M anipulation  |                                                 |
+|    \\/     M anipulation  | For copyright notice see file Copyright         |
 \*---------------------------------------------------------------------------*/
 FoamFile
 {
@@ -15,7 +15,7 @@ FoamFile
 }
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-dimensions      [ 0 2 -3 0 0 0 0 ];
+dimensions      [0 2 -3 0 0 0 0];
 
 internalField   uniform 0.000765;
 
@@ -24,15 +24,21 @@ boundaryField
     movingWall
     {
         type            compressible::epsilonWallFunction;
-        value           uniform 0;
+        refValue        uniform 0;
+        value           uniform 0.000765;
+        Cmu             0.09;
+        kappa           0.41;
+        E               9.8;
     }
-
     fixedWalls
     {
         type            compressible::epsilonWallFunction;
-        value           uniform 0;
+        refValue        uniform 0;
+        value           uniform 0.000765;
+        Cmu             0.09;
+        kappa           0.41;
+        E               9.8;
     }
-
     frontAndBack
     {
         type            empty;

tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0/k

@@ -1,9 +1,9 @@
 /*--------------------------------*- C++ -*----------------------------------*\
 | =========                 |                                                 |
-| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+| \\      /  F ield         | foam-extend: Open Source CFD                    |
-|  \\    /   O peration     | Version:  2.1.x                                 |
+|  \\    /   O peration     | Version:     4.0                                |
-|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|   \\  /    A nd           | Web:         http://www.foam-extend.org         |
-|    \\/     M anipulation  |                                                 |
+|    \\/     M anipulation  | For copyright notice see file Copyright         |
 \*---------------------------------------------------------------------------*/
 FoamFile
 {

tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0/p

@@ -1,9 +1,9 @@
-/*--------------------------------*- C++ -*----------------------------------*\
+/*---------------------------------------------------------------------------*\
-| =========                 |                                                 |
+  =========                 |
-| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+  \\      /  F ield         | foam-extend: Open Source CFD
-|  \\    /   O peration     | Version:  2.1.x                                 |
+   \\    /   O peration     |
-|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+    \\  /    A nd           | For copyright notice see file Copyright
-|    \\/     M anipulation  |                                                 |
+     \\/     M anipulation  |
 \*---------------------------------------------------------------------------*/
 FoamFile
 {

tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/README

@@ -1,61 +0,0 @@
-This tutorial is to show how the IAPWSThermo work in OpenFOAM
-
-
-
-
-//***********************INFORMATION TO TEST CASE*******************************//
-
-
-Important files in this case:
-
-1. thermophysicalProperties 
-
---> see thermotype
-
-1. fvSolution 
-
-PISO subdict --> see the realFluid --> this must be true (see modification in the pEqn of realFluidPisoFoam)
-
-2. controlDict: 
-
-the dynamic libraries used for the IAPWS 97 water properties are not directly link into OpenFOAM.
-Therefore, the dynamic libraries need to be defined in controlDict
-
-
-//************************NEW CODE NEEDED FOR THIS CASE*************************//
-
-1. Code in OpenFOAM: $WM_PROJECT_DIR/src/thermophysicalModels/externalMedia/
-   just run wmake libso in the folder
-
-2. FreeSteam: download the code @ http://freesteam.sourceforge.net/example.php
-   get the sourceCode --> I'm not sure of the packages work with this code 
-   see README.txt file to see what libraries you need to compile freeSteam
-
-
-//***********************Problems*******************************//
-
-If problems occur using the IAPWS 97 water properties, please check the following points
-
-
-1. have you suggesfully compiled freeSteam. 
-
-      a: If no, have you installed gsl, scons and so on (see README.txt in the freeSteam)
-      b: If yes, is the libfreesteam.so in a folder where OpenFOAM finds it e.g. $WM_PROJECT_DIR/lib/linux64GccDPOpt 
-         (last folder name depends on your machine, compiler ...)
-
-2. have you compiled the thermophysical models that connect freeSteam to OpenFOAM. They can be found in this folder: $WM_PROJECT_DIR/src/
-     thermophysicalModels/externalMedia/
-
-
-3. IS THE SOLVER STARTIGN TO RUN THE CASE? NO
- 
-   check b23.c file at line 39 (or at least somewhere in the code:
-
-   if you find the following code:
-       return B23_N[4] + sqrt((pi - B23_N[5])/B23_N[3]) /* * 1{K} */;
-
-   change it to this:
-       return B23_N[4] + sqrt(fabs(pi - B23_N[5])/B23_N[3]) /* * 1{K} */;
-
-
-