Merge Request #36: corrections in the real gas library. Author: Christian Lucas. Merge: Henrik Rusche

Conflicts:
	src/thermophysicalModels/specie/thermo/realGasThermo/constantHeatCapacity/constantHeatCapacity.C
	src/thermophysicalModels/specie/thermo/realGasThermo/constantHeatCapacity/constantHeatCapacityI.H
	src/thermophysicalModels/specie/transport/constRealGas/constRealGasTransport.C
	src/thermophysicalModels/specie/transport/constRealGas/constRealGasTransport.H
	src/thermophysicalModels/specie/transport/constRealGas/constRealGasTransportI.H
	tutorials/compressible/realFluidPisoFoam/ras/backStep/constant/thermophysicalProperties
	tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0.org/omega
	tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0/omega
	tutorials/compressible/realFluidPisoFoam/ras/t-junction/constant/thermophysicalProperties

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

@@ -143,6 +143,7 @@ void Foam::calculateProperties_h
 
     region=freesteam_region(S);
 
+    //CL:Liquid phase
     if (region==1)
     {
         p=S.R1.p;
@@ -168,6 +169,7 @@ void Foam::calculateProperties_h
         lambda=freesteam_k_rhoT(rho,T);
         alpha=lambda/cp; //Cl: Important info -->alpha= thermal diffusivity time density
     }
+    //CL:vapor phase
     else if (region==2)
     {
         p=S.R2.p;
@@ -193,6 +195,7 @@ void Foam::calculateProperties_h
         lambda=freesteam_k_rhoT(rho,T);
         alpha=lambda/cp; //Cl: Important info -->alpha= thermal diffusivity time density
     }
+    //CL: supercritial fluid
     else if (region==3)
     {
         scalar gamma,cv;
@@ -234,9 +237,10 @@ void Foam::calculateProperties_h
         alpha=lambda/cp; //Cl: Important info -->alpha= thermal diffusivity time density
 
     }
+    //inside the vapor dome
     else if (region==4)
     {
-        scalar rhov,rhol,betav,betal,kappav,kappal,vv,vl,cpl,hl,hv,cp;
+        scalar rhov,rhol,betav,betal,kappav,kappal,vv,vl,cpl,cpv,hl,hv,cp;
         scalar dvldp,dvvdp,dhldp,dhvdp;
         scalar dpdT,dvdh,dvdp,dxdp;
 
@@ -271,7 +275,7 @@ void Foam::calculateProperties_h
         betav=freesteam_region2_alphav_pT(Sv.R2.p,Sv.R2.T);
 
         cpl=freesteam_region1_cp_pT(Sl.R1.p,Sl.R1.T);
-        //cpv=freesteam_region2_cp_pT(Sv.R2.p,Sv.R2.T);
+        cpv=freesteam_region2_cp_pT(Sv.R2.p,Sv.R2.T);
 
         hl=freesteam_region1_h_pT(Sl.R1.p,Sl.R1.T);
         hv=freesteam_region2_h_pT(Sv.R2.p,Sv.R2.T);
@@ -282,7 +286,7 @@ void Foam::calculateProperties_h
         dvvdp=betav*vv/dpdT-kappav*vv;
 
         dhldp=vl*(1-betal*Sl.R1.T)+cpl/dpdT;
-        dhvdp=vv*(1-betav*Sv.R2.T)+cpl/dpdT;
+        dhvdp=vv*(1-betav*Sv.R2.T)+cpv/dpdT;
 
         dxdp=-dhldp/(hv-hl)
                  +(h-hl)/((hv-hl)*(hv-hl))
@@ -385,6 +389,7 @@ Foam::scalar Foam::psiH(SteamState S)
 
     region=freesteam_region(S);
 
+    //CL:liquid phase
     if (region==1)
     {
         //Cl: note: in FreeStream, beta=1/V*(dV/dP)_P=const is called alphaV (in this region)
@@ -398,6 +403,7 @@ Foam::scalar Foam::psiH(SteamState S)
         //CL: psiH=(drho/dp)_h=const
         psiH=-((S.R1.T*beta*beta-beta)/cp-kappa*rho);
     }
+    //CL:vapor phase
     else if (region==2)
     {
         //Cl: note: in FreeStream, beta=1/V*(dV/dP)_P=const is called alphaV (in this region)
@@ -411,6 +417,7 @@ Foam::scalar Foam::psiH(SteamState S)
         //CL: psiH=(drho/dp)_h=const
         psiH=-((S.R2.T*beta*beta-beta)/cp-kappa*rho);
     }
+    //CL:supercritical fluid
     else if (region==3)
     {
 
@@ -433,9 +440,10 @@ Foam::scalar Foam::psiH(SteamState S)
         psiH=-((S.R3.T*beta*beta-beta)/cp-kappa*rho);
 
     }
+    //inside the vapor dome
     else if (region==4)
     {
-        scalar rhov,rhol,betav,betal,kappav,kappal,vv,vl,cpl,hl,hv,h,p;
+        scalar rhov,rhol,betav,betal,kappav,kappal,vv,vl,cpl,cpv,hl,hv,h,p;
         scalar dvldp,dvvdp,dhldp,dhvdp;
         scalar dpdT,dvdp,dxdp;
 
@@ -466,7 +474,7 @@ Foam::scalar Foam::psiH(SteamState S)
         betav=freesteam_region2_alphav_pT(Sv.R2.p,Sv.R2.T);
 
         cpl=freesteam_region1_cp_pT(Sl.R1.p,Sl.R1.T);
-        //cpv=freesteam_region2_cp_pT(Sv.R2.p,Sv.R2.T);
+        cpv=freesteam_region2_cp_pT(Sv.R2.p,Sv.R2.T);
 
         hl=freesteam_region1_h_pT(Sl.R1.p,Sl.R1.T);
         hv=freesteam_region2_h_pT(Sv.R2.p,Sv.R2.T);
@@ -476,7 +484,7 @@ Foam::scalar Foam::psiH(SteamState S)
         dvvdp=betav*vv/dpdT-kappav*vv;
 
         dhldp=vl*(1-betal*Sl.R1.T)+cpl/dpdT;
-        dhvdp=vv*(1-betav*Sv.R2.T)+cpl/dpdT;
+        dhvdp=vv*(1-betav*Sv.R2.T)+cpv/dpdT;
 
         dxdp=-dhldp/(hv-hl)
                  +(h-hl)/((hv-hl)*(hv-hl))

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

@@ -126,7 +126,7 @@ void Foam::aungierRedlichKwong::write(Ostream& os) const
 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_;
+        << ark.pcrit_ << tab<< ark.Tcrit_<< tab<<ark.rhocrit_ << tab<<ark.azentricFactor_;
 
     os.check("Ostream& operator<<(Ostream& os, const aungierRedlichKwong& st)");
     return os;

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

@@ -96,7 +96,7 @@ class aungierRedlichKwong
     mutable scalar daSave;
     mutable scalar d2aSave;
 
-    //CL: save the temperature for which the save coefficients (amix,dadTmix,d2adT2mix) are correct
+    //CL: save the temperature for which the save coefficients (aSave, daSave, d2aSave) are correct
     mutable scalar TSave;
 
     //Protected functions
@@ -156,10 +156,10 @@ public:
         //CL: Model coefficient a(T)
         inline scalar a(const scalar T) const;
 
-        //CL: temperature deriviative of model coefficient a(T)
+        //CL: temperature derivative of model coefficient a(T)
         inline scalar dadT(const scalar T) const;
 
-        //CL: second order temperature deriviative of model coefficient a(T)
+        //CL: second order temperature derivative of model coefficient a(T)
         inline scalar d2adT2(const scalar T) const;
 
         //CL: Equation of state

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

@@ -136,9 +136,11 @@ inline scalar aungierRedlichKwong::azentricFactor() const
 
 inline void aungierRedlichKwong::updateModelCoefficients(const scalar T)const
 {
-    aSave=a0_*pow(T/Tcrit_, -n_);
+    scalar TTc = pow(T/Tcrit_, -n_);
-    daSave=-a0_*n_*pow(T/Tcrit_, -n_)/T;
+
-    d2aSave=a0_*(n_*n_ + n_)/(T*T)*pow(T/Tcrit_, -n_);
+    aSave = a0_*TTc;
+    daSave = -a0_*n_*TTc/T;
+    d2aSave = a0_*(n_*n_ + n_)/(T*T)*TTc;
 
     //CL: saving the temperature at which the coefficients are valid
     TSave = T;
@@ -224,6 +226,7 @@ inline scalar aungierRedlichKwong::n() const
 inline scalar aungierRedlichKwong::p(const scalar rho, const scalar T) const
 {
     scalar Vm = this->W()/rho;
+
     return this->RR()*T/(Vm - b_ + c_) - a(T)/(Vm*(Vm + b_));
 }
 
@@ -249,6 +252,7 @@ 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_));
 }
 
@@ -279,6 +283,7 @@ inline scalar aungierRedlichKwong::integral_p_dv
 ) const
 {
     scalar Vm = this->W()/rho;
+
     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_;
 }
@@ -293,6 +298,7 @@ inline scalar aungierRedlichKwong::integral_dpdT_dv
 ) const
 {
     scalar Vm = this->W()/rho;
+
     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_;
 }
@@ -302,6 +308,7 @@ 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_));
 }
 
@@ -312,19 +319,27 @@ inline scalar aungierRedlichKwong::d2pdv2(const scalar rho,const scalar T) const
     scalar Vm = this->W()/rho;
     scalar Vm2 = Vm*Vm;
     scalar Vm3 = Vm2*Vm;
+    scalar cpVm = c_ + Vm;
+    scalar bpVm3 = pow(b_ + Vm, 3);
 
     return -2*
     (
         a(T)*
         (
-            b5_ - 3*b4_*c_ + 3*b3_*(c2_ - c_*Vm - Vm2)
+            b5_ - 3*b4_*c_ + 3*b3_*pow(c_ - Vm, 2)
-          - b2_*(c_ + Vm)*(c2_ - 7*c_*Vm+Vm2)
+          + cpVm*
-          + 3*b_*Vm*pow(c_ + Vm, 2)*(2*Vm - c_)
+            (
-          - 3*Vm2*pow(c_ + Vm, 3)
+              - b2_*(c2_ - 7*c_*Vm + Vm2)
+              + cpVm*
+                (
+                    3*b_*Vm*(2*Vm - c_)
+                  - 3*Vm2*cpVm
                 )
-      + this->RR()*T*Vm3*(b3_ + 3*b2_*Vm + 3*b_*Vm2 + Vm3)
             )
-   /(Vm3*pow(b_ - c_ - Vm, 3)*pow(b_ + Vm, 3));
+        )
+      + this->RR()*T*Vm3*bpVm3
+    )
+   /(Vm3*pow(b_ - c_ - Vm, 3)*bpVm3);
 }
 
 
@@ -336,15 +351,17 @@ inline scalar aungierRedlichKwong::d2vdT2
     const scalar T
 ) const
 {
-    scalar dpdT2=this->dpdT(rho, T)*this->dpdT(rho, T);
+    scalar dpdT = this->dpdT(rho, T);
-    scalar dpdv2=this->dpdv(rho, T)*this->dpdv(rho, T);
+    scalar dpdT2 = dpdT*dpdT;
-    scalar dpdv3=dpdv2*this->dpdv(rho, T);
+    scalar dpdv = this->dpdv(rho, T);
+    scalar dpdv2 = dpdv*dpdv;
+    scalar dpdv3 = dpdv2*dpdv;
 
     return
     -(
           dpdT2*this->d2pdv2(rho, T)
         + dpdv2*this->d2pdT2(rho, T)
-        - 2*this->dpdv(rho, T)*this->dpdT(rho, T)*this->d2pdvdT(rho, T)
+        - 2*dpdv*dpdT*this->d2pdvdT(rho, T)
     )
     /dpdv3;
 }
@@ -359,13 +376,17 @@ inline scalar aungierRedlichKwong::d2pdvdT
 {
     scalar Vm = this->W()/rho;
     scalar Vm2 = Vm*Vm;
+    scalar cpVm = c_ + Vm;
+    scalar cpVm2 = cpVm*cpVm;
+    scalar bpVm = b_ + Vm;
+    scalar bpVm2 = bpVm*bpVm;
 
     return
     (
-        dadT(T)*(b3_ - 2*b2_*c_ + b_*(c_ + Vm)*(c_ - 3*Vm)+2*Vm*pow(c_ + Vm, 2))
+        dadT(T)*(b3_ - 2*b2_*c_ + b_*cpVm*(c_ - 3*Vm) + 2*Vm*cpVm2)
-      - this->RR()*Vm2*(b2_ + 2*b_*Vm + Vm2)
+      - this->RR()*Vm2*bpVm2
     )
-    /(Vm2*pow(b_ - c_ - Vm, 2)*pow(b_ + Vm, 2));
+    /(Vm2*pow(b_ - c_ - Vm, 2)*bpVm2);
 }
 
 
@@ -378,6 +399,7 @@ inline scalar aungierRedlichKwong::integral_d2pdT2_dv
 ) const
 {
     scalar Vm = this->W()/rho;
+
     return d2adT2(T)*log(b_ + Vm)/b_ - d2adT2(T)*log(Vm)/b_;
 }
 

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

@@ -97,7 +97,7 @@ class pengRobinson
     mutable scalar daSave;
     mutable scalar d2aSave;
 
-    //CL: save the temperature for which the save coefficients (amix,dadTmix,d2adT2mix) are correct
+    //CL: save the temperature for which the save coefficients (aSave, daSave, d2aSave) are correct
     mutable scalar TSave;
 
     //Protected functions
@@ -149,10 +149,10 @@ public:
         //CL: Model coefficient a(T)
         inline scalar a(const scalar T) const;
 
-        //CL: temperature deriviative of model coefficient a(T)
+        //CL: temperature derivative of model coefficient a(T)
         inline scalar dadT(const scalar T) const;
 
-        //CL: second order temperature deriviative of model coefficient a(T)
+        //CL: second order temperature derivative of model coefficient a(T)
         inline scalar d2adT2(const scalar T) const;
 
         //CL: Equation of state

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

@@ -116,9 +116,11 @@ inline scalar pengRobinson::Tcrit() const
 
 inline void pengRobinson::updateModelCoefficients(const scalar T) const
 {
-    aSave=a0_*pow(1 + n_*(1 - pow(T/Tcrit_, 0.5)), 2);
+    scalar TTc = sqrt(T/Tcrit_);
-    daSave=a0_*n_*(n_*sqrt(T/Tcrit_) - n_ - 1)*sqrt(T/Tcrit_)/T;
+
-    d2aSave=a0_*n_*(n_ + 1)*sqrt(T/Tcrit_)/(2*T*T);
+    aSave = a0_*(1 + n_*(1 - TTc))*(1 + n_*(1 - TTc));
+    daSave = a0_*n_*(n_*TTc - n_ - 1)*TTc/T;
+    d2aSave = a0_*n_*(n_ + 1)*TTc/(2*T*T);
 
     //CL: saving the temperature at which the coefficients are valid
     TSave=T;
@@ -223,7 +225,7 @@ inline scalar pengRobinson::dpdv(const scalar rho, const scalar T) const
             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, 6);
 }
 
 
@@ -233,6 +235,7 @@ 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)/(Vm2 + 2*b_*Vm - b2_);
 }
 
@@ -283,6 +286,7 @@ inline scalar pengRobinson::integral_dpdT_dv
 {
     scalar Vm = this->W()/rho;
     scalar root2=pow(2, 0.5);
+
     return
       - 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_);
@@ -294,6 +298,7 @@ inline scalar pengRobinson::d2pdT2(const scalar rho, const scalar T) const
 {
     scalar Vm = this->W()/rho;
     scalar Vm2 = Vm*Vm;
+
     return -d2adT2(T)/(Vm2 + 2*b_*Vm - b2_);
 }
 
@@ -319,7 +324,7 @@ inline scalar pengRobinson::d2pdv2(const scalar rho, const scalar T) const
             b6_ - 6*b5_*Vm + 9*b4_*Vm2 + 4*b3_*Vm3 - 9*b2_*Vm4 - 6*b_*Vm5 - Vm6
         )
     )
-   /(pow(b_ - Vm, 3)*pow(b2_ - 2*b_*Vm - Vm2, 3));
+    /pow(b_ - Vm, 9);
 }
 
 
@@ -331,15 +336,17 @@ inline scalar pengRobinson::d2vdT2
     const scalar T
 ) const
 {
-    scalar dpdT2=this->dpdT(rho, T)*this->dpdT(rho, T);
+    scalar dpdT = this->dpdT(rho, T);
-    scalar dpdv2=this->dpdv(rho, T)*this->dpdv(rho, T);
+    scalar dpdT2 = dpdT*dpdT;
-    scalar dpdv3=dpdv2*this->dpdv(rho, T);
+    scalar dpdv = this->dpdv(rho, T);
+    scalar dpdv2 = dpdv*dpdv;
+    scalar dpdv3 = dpdv2*dpdv;
 
     return
     -(
           dpdT2*this->d2pdv2(rho, T)
         + dpdv2*this->d2pdT2(rho, T)
-        - 2*this->dpdv(rho, T)*this->dpdT(rho, T)*this->d2pdvdT(rho, T)
+        - 2*dpdv*dpdT*this->d2pdvdT(rho, T)
     )
     /dpdv3;
 }
@@ -362,7 +369,7 @@ inline scalar pengRobinson::d2pdvdT
         2*dadT(T)*(b3_ - b2_*Vm - b_*Vm2 + Vm3)
       - this->RR()*(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, 6);
 }
 
 

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

@@ -121,6 +121,7 @@ inline scalar redlichKwong::b() const
 inline scalar redlichKwong::p(const scalar rho, const scalar T) const
 {
     scalar Vm = this->W()/rho;
+
     return this->RR()*T/(Vm - b_) - a_/(sqrt(T)*Vm*(Vm + b_));
 }
 
@@ -132,12 +133,14 @@ inline scalar redlichKwong::dpdv(const scalar rho, const scalar T) const
     scalar Vm = this->W()/rho;
     scalar Vm2 = Vm*Vm;
     scalar Vm3 = Vm2*Vm;
+    scalar T05 = pow(T, 0.5);
+    scalar bpVm2 = pow(b_ + Vm, 2);
 
     return
     (
-        a_*(b3_ - 3*b_*Vm2 + 2*Vm3) - this->RR()*pow(T, 1.5)*Vm2*(b2_ + 2*b_*Vm + Vm2)
+        a_*(b3_ - 3*b_*Vm2 + 2*Vm3) - this->RR()*T*T05*Vm2*bpVm2
     )
-   /(sqrt(T)*Vm2*pow((b_ + Vm), 2)*pow( (b_ - Vm), 2));
+   /(T05*Vm2*bpVm2*pow(b_ - Vm, 2));
 }
 
 
@@ -146,6 +149,7 @@ 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);
 }
 
@@ -176,6 +180,7 @@ inline scalar redlichKwong::integral_p_dv
 ) const
 {
     scalar Vm = this->W()/rho;
+
     return this->RR()*T*log(Vm - b_) + a_/(b_*sqrt(T))*(log(b_ + Vm) - log(Vm));
     //return this->RR()*T*log(Vm - b_) + (a_*log(b_ + Vm))/(b_*sqrt(T)) - (a_*log(Vm))/(b_*sqrt(T));
 }
@@ -190,6 +195,7 @@ inline scalar redlichKwong::integral_dpdT_dv
 ) const
 {
     scalar Vm = this->W()/rho;
+
     return this->RR()*log(Vm - b_) - a_/(2*b_*pow(T, 1.5))*(log(b_ + Vm) - log(Vm));
     //return this->RR()*log(Vm - b_) - (a_*log(b_ + Vm))/(2*b_*T15_) + (a_*log(Vm))/(2*b_*T15_);
 }
@@ -211,15 +217,16 @@ inline scalar redlichKwong::d2pdv2(const scalar rho, const scalar T) const
     scalar Vm3 = Vm2*Vm;
     scalar Vm4 = Vm3*Vm;
     scalar Vm5 = Vm4*Vm;
+    scalar T05 = pow(T, 0.5);
 
     return
     (
         2*
         (
             a_*(b5_ - 3*b3_*Vm2 - b2_*Vm3 + 6*b_*Vm4 - 3*Vm5)
-          + this->RR()*pow(T, 1.5)*Vm3*(b3_ + 3*b2_*Vm + 3*b_*Vm2 + Vm3)
+          + this->RR()*T*T05*Vm3*(b3_ + 3*b2_*Vm + 3*b_*Vm2 + Vm3)
         )
-        /(sqrt(T)*Vm3*pow((b_ + Vm), 3)*pow(Vm - b_, 3))
+        /(T05*Vm3*pow((b_ + Vm), 3)*pow(Vm - b_, 3))
     );
 }
 
@@ -228,15 +235,17 @@ inline scalar redlichKwong::d2pdv2(const scalar rho, const scalar T) const
 //using second order implicit differentiation
 inline scalar redlichKwong::d2vdT2(const scalar rho, const scalar T) const
 {
-    scalar dpdT2=this->dpdT(rho, T)*this->dpdT(rho, T);
+    scalar dpdT = this->dpdT(rho, T);
-    scalar dpdv2=this->dpdv(rho, T)*this->dpdv(rho, T);
+    scalar dpdT2 = dpdT*dpdT;
-    scalar dpdv3=dpdv2*this->dpdv(rho, T);
+    scalar dpdv = this->dpdv(rho, T);
+    scalar dpdv2 = dpdv*dpdv;
+    scalar dpdv3 = dpdv2*dpdv;
 
     return
     -(
           dpdT2*this->d2pdv2(rho, T)
         + dpdv2*this->d2pdT2(rho, T)
-        - 2*this->dpdv(rho, T)*this->dpdT(rho, T)*this->d2pdvdT(rho, T)
+        - 2*dpdv*dpdT*this->d2pdvdT(rho, T)
     )
     /dpdv3;
 }

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

@@ -83,11 +83,6 @@ soaveRedlichKwong::soaveRedlichKwong(const dictionary& dict)
     //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)),
     // Starting GUESS for the density by ideal gas law
     rhostd_(this->rho(this->Pstd(), this->Tstd(), this->Pstd()/(this->Tstd()*this->R()))),
     aSave(0.0),

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

@@ -92,7 +92,7 @@ class soaveRedlichKwong
     mutable scalar daSave;
     mutable scalar d2aSave;
 
-    //CL: save the temperature for which the save coefficients (amix,dadTmix,d2adT2mix) are correct
+    //CL: save the temperature for which the save coefficients (aSave, daSave, d2aSave) are correct
     mutable scalar TSave;
 
     //Protected functions
@@ -144,10 +144,10 @@ public:
         //CL: Model coefficient a(T)
         inline scalar a(const scalar T) const;
 
-        //CL: temperature deriviative of model coefficient a(T)
+        //CL: temperature derivative of model coefficient a(T)
         inline scalar dadT(const scalar T) const;
 
-        //CL: second order temperature deriviative of model coefficient a(T)
+        //CL: second order temperature derivative of model coefficient a(T)
         inline scalar d2adT2(const scalar T) const;
 
         //CL: Equation of state

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

@@ -114,9 +114,11 @@ inline scalar soaveRedlichKwong::Tcrit() const
 
 inline void soaveRedlichKwong::updateModelCoefficients(const scalar T) const
 {
-    aSave=a0_*pow(1 + n_*(1 - pow(T/Tcrit_, 0.5)), 2);
+    scalar TTc = pow(T/Tcrit_, 0.5);
-    daSave=a0_*n_*(n_*sqrt(T/Tcrit_) - n_ - 1)*sqrt(T/Tcrit_)/T;
+
-    d2aSave=a0_*n_*(n_ + 1)*sqrt(T/Tcrit_)/(2*T*T);
+    aSave = a0_*(1 + n_*(1 - TTc))*(1 + n_*(1 - TTc));
+    daSave = a0_*n_*(n_*TTc - n_ - 1)*TTc/T;
+    d2aSave = a0_*n_*(n_ + 1)*TTc/(2*T*T);
 
     //CL: saving the temperature at which the coefficients are valid
     TSave = T;
@@ -221,6 +223,7 @@ 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_));
 }
 
@@ -251,6 +254,7 @@ inline scalar soaveRedlichKwong::integral_p_dv
 ) 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_;
 }
@@ -266,6 +270,7 @@ inline scalar soaveRedlichKwong::integral_dpdT_dv
 ) 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_;
 }
@@ -275,6 +280,7 @@ inline scalar soaveRedlichKwong::integral_dpdT_dv
 inline scalar soaveRedlichKwong::d2pdT2(const scalar rho, const scalar T) const
 {
     scalar Vm = this->W()/rho;
+
     return -d2adT2(T)/(Vm*(Vm + b_));
 }
 
@@ -305,15 +311,17 @@ inline scalar soaveRedlichKwong::d2vdT2
     const scalar T
 ) const
 {
-    scalar dpdT2=this->dpdT(rho, T)*this->dpdT(rho, T);
+    scalar dpdT = this->dpdT(rho, T);
-    scalar dpdv2=this->dpdv(rho, T)*this->dpdv(rho, T);
+    scalar dpdT2 = dpdT*dpdT;
-    scalar dpdv3=dpdv2*this->dpdv(rho, T);
+    scalar dpdv = this->dpdv(rho, T);
+    scalar dpdv2 = dpdv*dpdv;
+    scalar dpdv3 = dpdv2*dpdv;
 
     return
     -(
           dpdT2*this->d2pdv2(rho, T)
         + dpdv2*this->d2pdT2(rho, T)
-        - 2*this->dpdv(rho, T)*this->dpdT(rho, T)*this->d2pdvdT(rho, T)
+        - 2*dpdv*dpdT*this->d2pdvdT(rho, T)
     )
     /dpdv3;
 }
@@ -347,6 +355,7 @@ inline scalar soaveRedlichKwong::integral_d2pdT2_dv
 ) const
 {
     scalar Vm = this->W()/rho;
+
     return d2adT2(T)*log(b_ + Vm)/b_ - d2adT2(T)*log(Vm)/b_;
 }
 

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

@@ -38,14 +38,15 @@ template<class equationOfState>
 Foam::constantHeatCapacity<equationOfState>::constantHeatCapacity(Istream& is)
 :
     equationOfState(is),
+    //CL: reads specific perfect gas heat capacity
     Cp0_(readScalar(is)),
     cp0_(Cp0_*this->W()),
-    //values for some need terms at std
+    //CL: 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
+    //CL: cp @ STD (needed to limit cp for stability
     cp_std(this->cp_nonLimited(this->rhostd(),this->Tstd())) 	
 {
     is.check("constantHeatCapacity::constantHeatCapacity(Istream& is)"); 	

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

@@ -108,7 +108,7 @@ class constantHeatCapacity
 {
     // Private data
 
-        //CL: spec. cp
+        //CL: specific values
         scalar Cp0_;
         //CL: molar values
         scalar cp0_;

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

@@ -169,7 +169,6 @@ inline Foam::scalar Foam::constantHeatCapacity<equationOfState>::cv0
     const scalar T
 ) const
 {
-
     return this->cp0(T)-this->RR();
 }
 
@@ -183,10 +182,14 @@ inline Foam::scalar Foam::constantHeatCapacity<equationOfState>::cp
      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
+    // CL: within the vapor dome, some stabilty problems might occur due to unphysical results (EOS not valite in vapor dome)
-    // cp can be negative within the vapor dome. To avoid this nonphysical result, the absolute value is used.
+    // CL: In order to find the right solution, the newton solver might go into the vapor dome (in an intermediate step)
-    // within the vapourdome and at the critical point, cp increases to very high values --> infinity,
+    // CL: Therefore, to avoid a crash, the following stabilisation step should be used
-    // this would decrease the stability, so cp will be limited to 20 times the cp @ STD
+    // CL: dpdv(rho,T)  is =0 at some points within the vapour dome. To increase stability, (dp/dv) has to be limited
+    // CL: cp can be negative within the vapor dome. To avoid this nonphysical result, the absolute value is used.
+    // CL: within the vapourdome and at the critical point, cp increases to very high values --> infinity,
+    // CL: this would decrease the stability, so cp will be limited to 20 times the cp @ STD
+
     return
     min
     (
@@ -278,7 +281,7 @@ inline Foam::scalar Foam::constantHeatCapacity<equationOfState>::s
       - integral_dpdT_dv_std
       + this->s0(T)
       - s0_std
-      - this->RR*log(T/this->Tstd())
+      - this->RR()*log(T/this->Tstd())
       + this->integral_dpdT_dv(rho, T);
 }
 

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

@@ -45,12 +45,13 @@ Foam::nasaHeatCapacityPolynomial<equationOfState>::nasaHeatCapacityPolynomial(Is
     a5_(readScalar(is)),
     a6_(readScalar(is)),
     a7_(readScalar(is)),
-    //values for some need terms at std
+    //CL: values at std needed to calculate enthalpy and entropy
+    //CL: enthalpy and entropy = 0 @ 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 (needed to limit cp for stability)
     cp_std(this->cp_nonLimited(this->rhostd(),this->Tstd()))
 {
     is.check("nasaHeatCapacityPolynomial::nasaHeatCapacityPolynomial(Istream& is)");

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

@@ -157,15 +157,23 @@ inline Foam::scalar Foam::nasaHeatCapacityPolynomial<equationOfState>::h0
 ) const
 {
     return
-    this->RR()*T*
+    this->RR()*
     (
-        -this->a1_*pow(T,-2)
+        - this->a1_/T
-        +this->a2_*log(T)/T
+        + this->a2_*log(T)
-        +this->a3_
+        + T*
-        +0.5*this->a4_*T
+          (
-        +(this->a5_*pow(T,2))/3
+              this->a3_ + T*
-        +(this->a6_*pow(T,3))/4
+              (
-        +(this->a7_*pow(T,4))/5
+                  0.5*this->a4_ + T*
+                  (
+                      this->a5_/3 + T*
+                      (
+                          0.25*this->a6_ + T*(0.2*this->a7_)
+                      )
+                  )
+              )
+          )
     );
 }
 
@@ -188,14 +196,22 @@ inline Foam::scalar Foam::nasaHeatCapacityPolynomial<equationOfState>::s0
     const scalar T
 ) const
 {
+    scalar oneOverT = 1/T;
+
     return this->RR()*
     (
-          this->a1_*(-1)/(2*pow(T,2))
+        oneOverT*(- 0.5*this->a1_*oneOverT - this->a2_)
-          -this->a2_/T+this->a3_*log(T)
+      + this->a3_*log(T)
-          +this->a4_*T
+      + T*
-          +(this->a5_*pow(T,2))/2
+        (
-          +(this->a6_*pow(T,3))/3
+            this->a4_ + T*
-          +(this->a7_*pow(T,4))/4
+            (
+                0.5*this->a5_ + T*
+                (
+                    this->a6_/3 + T*(0.25*this->a7_)
+                )
+            )
+        )
     );
 }
 
@@ -207,15 +223,13 @@ inline Foam::scalar Foam::nasaHeatCapacityPolynomial<equationOfState>::cp0
     const scalar T
 ) const
 {
+    scalar oneOverT = 1/T;
+
     return this->RR()*
     (
-        this->a1_*1/pow(T,2)
+        oneOverT*(this->a1_*oneOverT + this->a2_)
-        +this->a2_*1/T
       + this->a3_
-        +this->a4_*T
+      + T*(this->a4_ + T*(this->a5_ + T*(this->a6_ + T*this->a7_)))
-        +this->a5_*pow(T,2)
-        +this->a6_*pow(T,3)
-        +this->a7_*pow(T,4)
     );
 }
 
@@ -241,19 +255,21 @@ inline Foam::scalar Foam::nasaHeatCapacityPolynomial<equationOfState>::cp
      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
+    // CL: within the vapor dome, some stabilty problems might occur due to unphysical results (EOS not valite in vapor dome)
-    // cp can be negative within the vapor dome. To avoid this nonphysical result, the absolute value is used.
+    // CL: In order to find the right solution, the newton solver might go into the vapor dome (in an intermediate step)
-    // within the vapourdome and at the critical point, cp increases to very high values --> infinity,
+    // CL: Therefore, to avoid a crash, the following stabilisation step should be used
-    // this would decrease the stability, so cp will be limited to 20 times the cp @ STD
+    // CL: dpdv(rho,T)  is =0 at some points within the vapour dome. To increase stability, (dp/dv) has to be limited
-    return
+    // CL: cp can be negative within the vapor dome. To avoid this nonphysical result, the absolute value is used.
-    min
+    // CL: within the vapourdome and at the critical point, cp increases to very high values --> infinity,
+    // CL: 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)
+          - T*pow(this->dpdT(rho, T), 2)/min(this->dpdv(rho, T), -1)
-                /min(this->dpdv(rho, T),-1)
         )
     );
 }
@@ -267,7 +283,10 @@ inline Foam::scalar Foam::nasaHeatCapacityPolynomial<equationOfState>::cp_nonLim
      const scalar T
 ) const
 {
-     return  fabs(this->cv(rho,T)-T*pow((this->dpdT(rho, T)),2)/min(this->dpdv(rho, T),-1));
+     return fabs
+     (
+         this->cv(rho,T)-T*pow((this->dpdT(rho, T)),2)/min(this->dpdv(rho, T), -1)
+     );
 }
 
 
@@ -292,7 +311,9 @@ inline Foam::scalar Foam::nasaHeatCapacityPolynomial<equationOfState>::h
     const scalar T
 ) const
 {
-    return this->e(rho,T)+this->p(rho,T)/rho*this->W()-this->Pstd()/this->rhostd()*this->W();
+    return this->e(rho,T)
+      + this->p(rho, T)/rho*this->W()
+      - this->Pstd()/this->rhostd()*this->W();
 }
 
 
@@ -310,7 +331,8 @@ inline Foam::scalar Foam::nasaHeatCapacityPolynomial<equationOfState>::e
     (
       - this->Tstd()*integral_dpdT_dv_std
       + integral_p_dv_std
-    +this->e0(T)-e0_std
+      + this->e0(T)
+      - e0_std
       + T*this->integral_dpdT_dv(rho, T)
       - this->integral_p_dv(rho, T)
     );
@@ -328,10 +350,14 @@ inline Foam::scalar Foam::nasaHeatCapacityPolynomial<equationOfState>::s
     const scalar T
 ) const
 {
-    return -integral_dpdT_dv_std
+    return 
-    +(this->s0(T)-s0_std)
+    (
+      - integral_dpdT_dv_std
+      + this->s0(T)
+      - s0_std
       - this->RR()*log(T/this->Tstd())
-    + this->integral_dpdT_dv(rho,T);
+      + this->integral_dpdT_dv(rho, T)
+    );
 }
 
 

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

@@ -233,13 +233,11 @@ inline Foam::scalar Foam::realGasSpecieThermo<thermo>::psiE
     return
     -(
         (
-        T*pow(beta,2)*V
+            T*beta*beta*V - this->isothermalCompressiblity(rho, T)*cp
-        -this->isothermalCompressiblity(rho,T)*cp
         )
         /
         (
-            cp*V
+            cp*V - beta*this->p(rho, T)*V*V
-            -beta*this->p(rho,T)*pow(V,2)
         )
     );
 }

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

@@ -1,56 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  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
--------------------------------------------------------------------------------
-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

@@ -1,202 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  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
--------------------------------------------------------------------------------
-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

@@ -1,217 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  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
--------------------------------------------------------------------------------
-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
-
-// ************************************************************************* //

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

@@ -18,11 +18,11 @@ FoamFile
 
 //CL: List of possible real gas models
 
-thermoType  realGasHThermo<pureMixture<sutherlandTransport<realGasSpecieThermo<nasaHeatCapacityPolynomial<redlichKwong>>>>>;
+//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;
+//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 304.13 467.6 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;
@@ -30,24 +30,19 @@ mixture         CO2 1 44.01 73.773e5 304.13 49436.5054 -626.411601 5.30172524 0.
 //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<sutherlandTransport<realGasSpecieThermo<constantHeatCapacity<redlichKwong>>>>>;
-//mixture         CO2 1 44.01 73.773e5 304.13 839 1.4792e-06 116;
-
 //thermoType  realGasHThermo<pureMixture<sutherlandTransport<realGasSpecieThermo<constantHeatCapacity<aungierRedlichKwong>>>>>;
-
+//mixture CO2 1 44.01 73.773e5 304.13 467.6 0.22394  839 1.4792e-06 116;
 
 //thermoType  realGasHThermo<pureMixture<sutherlandTransport<realGasSpecieThermo<constantHeatCapacity<pengRobinson>>>>>;
 //thermoType  realGasHThermo<pureMixture<sutherlandTransport<realGasSpecieThermo<constantHeatCapacity<soaveRedlichKwong>>>>>;
-
+//thermoType  realGasHThermo<pureMixture<constTransport<realGasSpecieThermo<nasaHeatCapacityPolynomial<redlichKwong>>>>>;
-//thermoType  realGasHThermo<pureMixture<constRealGasTransport<realGasSpecieThermo<nasaHeatCapacityPolynomial<redlichKwong>>>>>;
+//thermoType  realGasHThermo<pureMixture<constTransport<realGasSpecieThermo<nasaHeatCapacityPolynomial<pengRobinson>>>>>;
-//thermoType  realGasHThermo<pureMixture<constRealGasTransport<realGasSpecieThermo<nasaHeatCapacityPolynomial<pengRobinson>>>>>;
+//thermoType  realGasHThermo<pureMixture<constTransport<realGasSpecieThermo<nasaHeatCapacityPolynomial<aungierRedlichKwong>>>>>;
-//thermoType  realGasHThermo<pureMixture<constRealGasTransport<realGasSpecieThermo<nasaHeatCapacityPolynomial<aungierRedlichKwong>>>>>;
+//thermoType  realGasHThermo<pureMixture<constTransport<realGasSpecieThermo<nasaHeatCapacityPolynomial<soaveRedlichKwong>>>>>;
-//thermoType  realGasHThermo<pureMixture<constRealGasTransport<realGasSpecieThermo<nasaHeatCapacityPolynomial<soaveRedlichKwong>>>>>;
+//thermoType  realGasHThermo<pureMixture<constTransport<realGasSpecieThermo<constantHeatCapacity<redlichKwong>>>>>;
-//thermoType  realGasHThermo<pureMixture<constRealGasTransport<realGasSpecieThermo<constantHeatCapacity<redlichKwong>>>>>;
+//thermoType  realGasHThermo<pureMixture<constTransport<realGasSpecieThermo<constantHeatCapacity<pengRobinson>>>>>;
-//thermoType  realGasHThermo<pureMixture<constRealGasTransport<realGasSpecieThermo<constantHeatCapacity<pengRobinson>>>>>;
+//thermoType  realGasHThermo<pureMixture<constTransport<realGasSpecieThermo<constantHeatCapacity<aungierRedlichKwong>>>>>;
-//thermoType  realGasHThermo<pureMixture<constRealGasTransport<realGasSpecieThermo<constantHeatCapacity<aungierRedlichKwong>>>>>;
+//thermoType  realGasHThermo<pureMixture<constTransport<realGasSpecieThermo<constantHeatCapacity<soaveRedlichKwong>>>>>;
-//thermoType  realGasHThermo<pureMixture<constRealGasTransport<realGasSpecieThermo<constantHeatCapacity<soaveRedlichKwong>>>>>;
 
 
 
@@ -61,8 +56,8 @@ mixture         CO2 1 44.01 73.773e5 304.13 49436.5054 -626.411601 5.30172524 0.
 //   304.13               --> critical temperatur
 //   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
+//   49436.5054 --> 2.849677801e-13     --> 7 heat capacity polynomial coefficents --> coefficients, see paper cited in class
-//   ....                 --> two coefficent's for sutherlandTransport or for the constRealGasTransport model
+//   ....                 --> two coefficents for sutherlandTransport or for the constRealGasTransport model
-//   839                  --> perfect gas heat capacity Cp0 (J/kgK), needed for constantHeatCapacity
+//   839                  --> constant cp of perfect gas (used for constantHeatCapacity)
 // *********************************************************************************************************************** //
 

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

@@ -51,11 +51,4 @@ maxDeltaT       0.01;
 
 runTimeModifiable yes;
 
-libs
-(
-    "libIAPWSThermo.so"
-    "libfreesteam.so"
-);
-
-
 // ************************************************************************* //

tutorials/compressible/realFluidPisoFoam/ras/t-junction/0.org/T

@@ -0,0 +1,48 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  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 333.15;
+
+boundaryField
+{
+    outlet
+    {
+        type            zeroGradient;
+    }
+
+    inlet1
+    {
+        type            fixedValue;
+        value           uniform 273.15;
+    }
+
+    inlet2
+    {
+        type            fixedValue;
+        value           uniform 333.15;
+    }
+
+    wall
+    {
+        type            zeroGradient;
+    }
+}
+
+
+// ************************************************************************* //

tutorials/compressible/realFluidPisoFoam/ras/t-junction/0.org/U

@@ -0,0 +1,47 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  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;
+    object      U;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 1 -1 0 0 0 0];
+
+internalField   uniform (0 1 0);
+
+boundaryField
+{
+    outlet
+    {
+        type            zeroGradient;
+    }
+
+    inlet1
+    {
+        type            fixedValue;
+        value           uniform (0 1 0);
+    }
+
+    inlet2
+    {
+        type            fixedValue;
+        value           uniform (0 -1 0);
+    }
+
+    wall
+    {
+        type            fixedValue;
+        value           uniform (0 0 0);
+    }
+}
+
+// ************************************************************************* //

tutorials/compressible/realFluidPisoFoam/ras/t-junction/0.org/epsilon

@@ -3,7 +3,7 @@
 | \\      /  F ield         | foam-extend: Open Source CFD                    |
 |  \\    /   O peration     | Version:     4.0                                |
 |   \\  /    A nd           | Web:         http://www.foam-extend.org         |
-|    \\/     M anipulation  |                                                 |
+|    \\/     M anipulation  | For copyright notice see file Copyright         |
 \*---------------------------------------------------------------------------*/
 FoamFile
 {
@@ -11,35 +11,46 @@ FoamFile
     format      ascii;
     class       volScalarField;
     location    "0";
-    object      omega;
+    object      epsilon;
 }
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-dimensions      [0 0 -1 0 0 0 0];
+dimensions      [0 2 -3 0 0 0 0];
 
-internalField   uniform 2.6;
+internalField   uniform 200;
 
 boundaryField
 {
-    movingWall
+    outlet
     {
-        type            compressible::omegaWallFunction;
+        type            inletOutlet;
+        inletValue      uniform 200;
+        value           uniform 200;
+    }
+    inlet1
+    {
+        type            compressible::turbulentMixingLengthDissipationRateInlet;
+        mixingLength    0.005;
+        phi             phi;
+        k               k;
+        value           uniform 200;
+    }
+    inlet2
+    {
+        type            compressible::turbulentMixingLengthDissipationRateInlet;
+        mixingLength    0.005;
+        phi             phi;
+        k               k;
+        value           uniform 200;
+    }
+    wall
+    {
+        type            compressible::epsilonWallFunction;
+        refValue        uniform 0;
+        value           uniform 200;
         Cmu             0.09;
         kappa           0.41;
         E               9.8;
-        value           uniform 2.6;
-    }
-    fixedWalls
-    {
-        type            compressible::omegaWallFunction;
-        Cmu             0.09;
-        kappa           0.41;
-        E               9.8;
-        value           uniform 2.6;
-    }
-    frontAndBack
-    {
-        type            empty;
     }
 }
 

tutorials/compressible/realFluidPisoFoam/ras/t-junction/0.org/k

@@ -3,7 +3,7 @@
 | \\      /  F ield         | foam-extend: Open Source CFD                    |
 |  \\    /   O peration     | Version:     4.0                                |
 |   \\  /    A nd           | Web:         http://www.foam-extend.org         |
-|    \\/     M anipulation  |                                                 |
+|    \\/     M anipulation  | For copyright notice see file Copyright         |
 \*---------------------------------------------------------------------------*/
 FoamFile
 {
@@ -11,35 +11,40 @@ FoamFile
     format      ascii;
     class       volScalarField;
     location    "0";
-    object      omega;
+    object      k;
 }
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-dimensions      [0 0 -1 0 0 0 0];
+dimensions      [0 2 -2 0 0 0 0];
 
-internalField   uniform 2.6;
+internalField   uniform 1;
 
 boundaryField
 {
-    movingWall
+    outlet
     {
-        type            compressible::omegaWallFunction;
+        type            zeroGradient;
-        Cmu             0.09;
-        kappa           0.41;
-        E               9.8;
-        value           uniform 2.6;
     }
-    fixedWalls
+    inlet1
     {
-        type            compressible::omegaWallFunction;
+        type            turbulentIntensityKineticEnergyInlet;
-        Cmu             0.09;
+        intensity       0.05;
-        kappa           0.41;
+        U               U;
-        E               9.8;
+        phi             phi;
-        value           uniform 2.6;
+        value           uniform 1;
     }
-    frontAndBack
+    inlet2
     {
-        type            empty;
+        type            turbulentIntensityKineticEnergyInlet;
+        intensity       0.05;
+        U               U;
+        phi             phi;
+        value           uniform 1;
+    }
+    wall
+    {
+        type            compressible::kqRWallFunction;
+        value           uniform 1;
     }
 }
 

tutorials/compressible/realFluidPisoFoam/ras/t-junction/0.org/p

@@ -0,0 +1,46 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  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;
+    object      p;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [1 -1 -2 0 0 0 0];
+
+internalField   uniform 80e5;
+
+boundaryField
+{
+    outlet
+    {
+        type            fixedMeanValue;
+        meanValue       8e6;
+        value           uniform 8e+06;
+    }
+
+    inlet1
+    {
+        type            zeroGradient;
+    }
+
+    inlet2
+    {
+        type            zeroGradient;
+    }
+
+    wall
+    {
+        type            zeroGradient;
+    }
+}
+
+// ************************************************************************* //

tutorials/compressible/realFluidPisoFoam/ras/t-junction/constant/thermophysicalProperties

@@ -18,36 +18,31 @@ FoamFile
 
 //CL: List of possible real gas models
 
-thermoType  realGasHThermo<pureMixture<sutherlandTransport<realGasSpecieThermo<nasaHeatCapacityPolynomial<redlichKwong>>>>>;
+//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;
+//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>>>>>;
-//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 304.13 467.6 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>>>>>;
+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;
+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>>>>>;
 //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<constantHeatCapacity<redlichKwong>>>>>;
-//mixture         CO2 1 44.01 73.773e5 304.13 839 1.4792e-06 116;
-
 //thermoType  realGasHThermo<pureMixture<sutherlandTransport<realGasSpecieThermo<constantHeatCapacity<aungierRedlichKwong>>>>>;
-
+//mixture CO2 1 44.01 73.773e5 304.13 467.6 0.22394  839 1.4792e-06 116;
 
 //thermoType  realGasHThermo<pureMixture<sutherlandTransport<realGasSpecieThermo<constantHeatCapacity<pengRobinson>>>>>;
 //thermoType  realGasHThermo<pureMixture<sutherlandTransport<realGasSpecieThermo<constantHeatCapacity<soaveRedlichKwong>>>>>;
-
+//thermoType  realGasHThermo<pureMixture<constTransport<realGasSpecieThermo<nasaHeatCapacityPolynomial<redlichKwong>>>>>;
-//thermoType  realGasHThermo<pureMixture<constRealGasTransport<realGasSpecieThermo<nasaHeatCapacityPolynomial<redlichKwong>>>>>;
+//thermoType  realGasHThermo<pureMixture<constTransport<realGasSpecieThermo<nasaHeatCapacityPolynomial<pengRobinson>>>>>;
-//thermoType  realGasHThermo<pureMixture<constRealGasTransport<realGasSpecieThermo<nasaHeatCapacityPolynomial<pengRobinson>>>>>;
+//thermoType  realGasHThermo<pureMixture<constTransport<realGasSpecieThermo<nasaHeatCapacityPolynomial<aungierRedlichKwong>>>>>;
-//thermoType  realGasHThermo<pureMixture<constRealGasTransport<realGasSpecieThermo<nasaHeatCapacityPolynomial<aungierRedlichKwong>>>>>;
+//thermoType  realGasHThermo<pureMixture<constTransport<realGasSpecieThermo<nasaHeatCapacityPolynomial<soaveRedlichKwong>>>>>;
-//thermoType  realGasHThermo<pureMixture<constRealGasTransport<realGasSpecieThermo<nasaHeatCapacityPolynomial<soaveRedlichKwong>>>>>;
+//thermoType  realGasHThermo<pureMixture<constTransport<realGasSpecieThermo<constantHeatCapacity<redlichKwong>>>>>;
-//thermoType  realGasHThermo<pureMixture<constRealGasTransport<realGasSpecieThermo<constantHeatCapacity<redlichKwong>>>>>;
+//thermoType  realGasHThermo<pureMixture<constTransport<realGasSpecieThermo<constantHeatCapacity<pengRobinson>>>>>;
-//thermoType  realGasHThermo<pureMixture<constRealGasTransport<realGasSpecieThermo<constantHeatCapacity<pengRobinson>>>>>;
+//thermoType  realGasHThermo<pureMixture<constTransport<realGasSpecieThermo<constantHeatCapacity<aungierRedlichKwong>>>>>;
-//thermoType  realGasHThermo<pureMixture<constRealGasTransport<realGasSpecieThermo<constantHeatCapacity<aungierRedlichKwong>>>>>;
+//thermoType  realGasHThermo<pureMixture<constTransport<realGasSpecieThermo<constantHeatCapacity<soaveRedlichKwong>>>>>;
-//thermoType  realGasHThermo<pureMixture<constRealGasTransport<realGasSpecieThermo<constantHeatCapacity<soaveRedlichKwong>>>>>;
 
 
 
@@ -61,8 +56,8 @@ mixture         CO2 1 44.01 73.773e5 304.13 49436.5054 -626.411601 5.30172524 0.
 //   304.13               --> critical temperatur
 //   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
+//   49436.5054 --> 2.849677801e-13     --> 7 heat capacity polynomial coefficents --> coefficients, see paper cited in class
-//   ....                 --> two coefficent's for sutherlandRealGasTransport or for the constRealGasTransport model
+//   ....                 --> two coefficents for sutherlandRealGasTransport or for the constRealGasTransport model
-//   839                  --> perfect gas heat capacity Cp0 (J/kgK), needed for constantHeatCapacity
+//   839                  --> constant cp of perfect gas (used for constantHeatCapacity)
 // *********************************************************************************************************************** //