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real gas EOS for mixtures

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This commit is contained in:
Christian Lucas 2012-05-28 20:55:24 +02:00 committed by Henrik Rusche
parent e8b0b4968a
commit 47c93e3447
18 changed files with 649 additions and 793 deletions
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22
src/thermophysicalModels/basic/basicThermo/basicThermo.H
View file

@ -102,28 +102,6 @@ protected:
//- Construct as copy (not implemented) //- Construct as copy (not implemented)
basicThermo(const basicThermo&); basicThermo(const basicThermo&);
//- Return the enthalpy field boundary types by interrogating the
// temperature field boundary types
// for real gases
wordList hRealBoundaryTypes();
//- Correct the enthalpy field boundaries
// for real gases
void hRealBoundaryCorrection(volScalarField& h);
// Internal energy
//- Return the internal energy field boundary types by
// interrogating the temperature field boundary types
// for real gases
wordList eRealBoundaryTypes();
//- Correct the internal energy field boundaries
// for real gases
void eRealBoundaryCorrection(volScalarField& e);
public: public:
//- Runtime type information //- Runtime type information

2
src/thermophysicalModels/basic/psiThermo/realGasHThermo/realGasHThermo.C
View file

@ -157,8 +157,6 @@ Foam::realGasHThermo<MixtureType>::realGasHThermo(const fvMesh& mesh)
mesh, mesh,
dimensionSet(1, -5, 2, 0, 0) dimensionSet(1, -5, 2, 0, 0)
) )
{ {
scalarField& hCells = h_.internalField(); scalarField& hCells = h_.internalField();

3
src/thermophysicalModels/specie/Make/files
View file

@ -16,5 +16,8 @@ $(equationOfState)/aungierRedlichKwong/aungierRedlichKwong.C
$(equationOfState)/pengRobinson/pengRobinson.C $(equationOfState)/pengRobinson/pengRobinson.C
$(equationOfState)/redlichKwong/redlichKwong.C $(equationOfState)/redlichKwong/redlichKwong.C
$(equationOfState)/soaveRedlichKwong/soaveRedlichKwong.C $(equationOfState)/soaveRedlichKwong/soaveRedlichKwong.C
$(equationOfState)/mixtureRedlichKwong/mixtureRedlichKwong.C
$(equationOfState)/mixturePengRobinson/mixturePengRobinson.C
$(equationOfState)/mixtureSoaveRedlichKwong/mixtureSoaveRedlichKwong.C
LIB = $(FOAM_LIBBIN)/libspecie LIB = $(FOAM_LIBBIN)/libspecie

13
src/thermophysicalModels/specie/equationOfState/aungierRedlichKwong/aungierRedlichKwong.C
View file

@ -2,7 +2,7 @@
========= | ========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | \\ / O peration |
\\ / A nd | \\ / A nd | Copyright held by original author
\\/ M anipulation | \\/ M anipulation |
------------------------------------------------------------------------------- -------------------------------------------------------------------------------
License License
@ -31,8 +31,6 @@ Institut für Thermodynamik
Technische Universität Braunschweig Technische Universität Braunschweig
Germany Germany
\*---------------------------------------------------------------------------*/ \*---------------------------------------------------------------------------*/
#include "aungierRedlichKwong.H" #include "aungierRedlichKwong.H"
@ -43,7 +41,6 @@ Germany
namespace Foam namespace Foam
{ {
/* * * * * * * * * * * * * * * Private static data * * * * * * * * * * * * * */ /* * * * * * * * * * * * * * * Private static data * * * * * * * * * * * * * */
const scalar aungierRedlichKwong::rhoMin_ const scalar aungierRedlichKwong::rhoMin_
@ -70,7 +67,7 @@ aungierRedlichKwong::aungierRedlichKwong(Istream& is)
c_(this->RR*Tcrit_/(pcrit_+(a_/(this->W()/rhocrit_*(this->W()/rhocrit_+b_))))+b_-this->W()/rhocrit_), c_(this->RR*Tcrit_/(pcrit_+(a_/(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)),
// Starting GUESS for the density by ideal gas law // Starting GUESS for the density by ideal gas law
rhostd_(this->rho(Pstd,Tstd,Pstd*this->W()/(Tstd*this->R()))) rhostd_(this->rho(Pstd,Tstd,Pstd/(Tstd*this->R())))
{ {
is.check("aungierRedlichKwong::aungierRedlichKwong(Istream& is)"); is.check("aungierRedlichKwong::aungierRedlichKwong(Istream& is)");
} }
@ -78,10 +75,10 @@ aungierRedlichKwong::aungierRedlichKwong(Istream& is)
// * * * * * * * * * * * * * * * Ostream Operator * * * * * * * * * * * * * // // * * * * * * * * * * * * * * * Ostream Operator * * * * * * * * * * * * * //
Ostream& operator<<(Ostream& os, const aungierRedlichKwong& pg) Ostream& operator<<(Ostream& os, const aungierRedlichKwong& ark)
{ {
os << static_cast<const specie&>(pg)<< tab os << static_cast<const specie&>(ark)<< tab
<< pg.pcrit_ << tab<< pg.Tcrit_<< tab<<pg.azentricFactor_<< tab<<pg.rhocrit_; << ark.pcrit_ << tab<< ark.Tcrit_<< tab<<ark.azentricFactor_<< tab<<ark.rhocrit_;
os.check("Ostream& operator<<(Ostream& os, const aungierRedlichKwong& st)"); os.check("Ostream& operator<<(Ostream& os, const aungierRedlichKwong& st)");
return os; return os;

64
src/thermophysicalModels/specie/equationOfState/aungierRedlichKwong/aungierRedlichKwong.H
View file

@ -2,7 +2,7 @@
========= | ========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | \\ / O peration |
\\ / A nd | \\ / A nd | Copyright held by original author
\\/ M anipulation | \\/ M anipulation |
------------------------------------------------------------------------------- -------------------------------------------------------------------------------
License License
@ -28,6 +28,11 @@ Class
Description Description
Aungier Redlich Kwong equation of state. Aungier Redlich Kwong equation of state.
Paper:
Title: A Fast, Accurate Real Gas Equation of State for Fluid Dynamic Analysis Applications
Authors: R. H. Aungier
Journal: Journal of Fluids Engineering, Vol.117, 1995
SourceFiles SourceFiles
aungierRedlichKwongI.H aungierRedlichKwongI.H
aungierRedlichKwong.C aungierRedlichKwong.C
@ -67,17 +72,18 @@ class aungierRedlichKwong
scalar rhocrit_; scalar rhocrit_;
//Aungier Redlich Kwong factors //Aungier Redlich Kwong factors
scalar a_; mutable scalar a_;
scalar b_; mutable scalar b_;
scalar c_; mutable scalar c_;
scalar n_; mutable scalar n_;
//Density @STD, initialise after a, b! //Density @STD, initialise after a, b!
scalar rhostd_; scalar rhostd_;
// Static Private data //Static Private data
//should be read from the fvSolution file where rhoMax and rhoMin values must be define ( for rhoSimpleFoam) //should be read from the fvSolution file where rhoMax and rhoMin values must be define ( for rhoSimpleFoam)
//HR: Don't know, yet. Let's make these static for starters
static const scalar rhoMax_; static const scalar rhoMax_;
static const scalar rhoMin_; static const scalar rhoMin_;
@ -113,9 +119,10 @@ public:
inline scalar rhostd() const; inline scalar rhostd() const;
//CL: Equation of state
inline scalar p(const scalar rho, const scalar T) const; inline scalar p(const scalar rho, const scalar T) const;
//first order derivatives //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 dpdT(const scalar rho, const scalar T) const;
@ -132,14 +139,14 @@ public:
const scalar T const scalar T
) const; ) const;
// Used for cv //CL: Used for cv
inline scalar integral_d2pdT2_dv inline scalar integral_d2pdT2_dv
( (
const scalar rho, const scalar rho,
const scalar T const scalar T
) const ; ) 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 d2pdv2(const scalar rho, const scalar T) const;
inline scalar d2pdT2(const scalar rho, scalar T) const; inline scalar d2pdT2(const scalar rho, scalar T) const;
@ -148,10 +155,10 @@ public:
inline scalar d2vdT2(const scalar rho, const scalar T) const; inline scalar d2vdT2(const scalar rho, const scalar T) const;
//Used for internal Energy //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] //- Return density [kg/m^3]
@ -172,45 +179,14 @@ public:
inline scalar Z inline scalar Z
( (
const scalar p, const scalar p,
const scalar T, const scalar T,
const scalar rho0 const scalar rho0
) const; ) const;
// Member operators // Member operators
inline void operator+=(const aungierRedlichKwong&); // Friend operators
inline void operator-=(const aungierRedlichKwong&);
inline void operator*=(const scalar);
/* // Friend operators
inline friend aungierRedlichKwong operator+
(
const aungierRedlichKwong&,
const aungierRedlichKwong&
);
inline friend aungierRedlichKwong operator-
(
const aungierRedlichKwong&,
const aungierRedlichKwong&
);
inline friend aungierRedlichKwong operator*
(
const scalar s,
const aungierRedlichKwong&
);
inline friend aungierRedlichKwong operator==
(
const aungierRedlichKwong&,
const aungierRedlichKwong&
);
*/
// Ostream Operator // Ostream Operator

93
src/thermophysicalModels/specie/equationOfState/aungierRedlichKwong/aungierRedlichKwongI.H
View file

@ -2,7 +2,7 @@
========= | ========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | \\ / O peration |
\\ / A nd | \\ / A nd | Copyright held by original author
\\/ M anipulation | \\/ M anipulation |
------------------------------------------------------------------------------- -------------------------------------------------------------------------------
License License
@ -28,7 +28,6 @@ Institut für Thermodynamik
Technische Universität Braunschweig Technische Universität Braunschweig
Germany Germany
\*---------------------------------------------------------------------------*/ \*---------------------------------------------------------------------------*/
#include "aungierRedlichKwong.H" #include "aungierRedlichKwong.H"
@ -38,8 +37,6 @@ Germany
namespace Foam namespace Foam
{ {
// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * // // * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
// Construct from components // Construct from components
@ -62,7 +59,7 @@ inline aungierRedlichKwong::aungierRedlichKwong
c_(this->RR*Tcrit_/(pcrit_+(a_/(this->W()/rhocrit_*(this->W()/rhocrit_+b_))))+b_-this->W()/rhocrit_), c_(this->RR*Tcrit_/(pcrit_+(a_/(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)),
// Starting GUESS for the density by ideal gas law // Starting GUESS for the density by ideal gas law
rhostd_(this->rho(Pstd,Tstd,Pstd*this->W()/(Tstd*this->R()))) rhostd_(this->rho(Pstd,Tstd,Pstd/(Tstd*this->R())))
{} {}
@ -103,6 +100,7 @@ inline scalar aungierRedlichKwong::rhostd()const
return rhostd_; return rhostd_;
} }
//returns the pressure for a given density and temperature //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
{ {
@ -163,7 +161,6 @@ inline scalar aungierRedlichKwong::integral_p_dv
} }
//needed to calculate the entropy //needed to calculate the entropy
//(molar values) //(molar values)
inline scalar aungierRedlichKwong::integral_dpdT_dv inline scalar aungierRedlichKwong::integral_dpdT_dv
@ -186,8 +183,6 @@ inline scalar aungierRedlichKwong::d2pdT2(const scalar rho,const scalar T) const
} }
//(molar values) //(molar values)
inline scalar aungierRedlichKwong::d2pdv2(const scalar rho,const scalar T) const inline scalar aungierRedlichKwong::d2pdv2(const scalar rho,const scalar T) const
{ {
@ -198,8 +193,6 @@ inline scalar aungierRedlichKwong::d2pdv2(const scalar rho,const scalar T) const
} }
//(molar values) //(molar values)
//using second order implicit differentiation //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
@ -214,8 +207,6 @@ inline scalar aungierRedlichKwong::d2vdT2(const scalar rho, const scalar T) cons
} }
//(molar values) //(molar values)
inline scalar aungierRedlichKwong::d2pdvdT(const scalar rho, const scalar T) const inline scalar aungierRedlichKwong::d2pdvdT(const scalar rho, const scalar T) const
{ {
@ -225,8 +216,6 @@ inline scalar aungierRedlichKwong::d2pdvdT(const scalar rho, const scalar T) con
} }
// the result of this intergal is needed for the nasa based cp polynomial // the result of this intergal is needed for the nasa based cp polynomial
//(molar values) //(molar values)
inline scalar aungierRedlichKwong::integral_d2pdT2_dv inline scalar aungierRedlichKwong::integral_d2pdT2_dv
@ -292,8 +281,9 @@ inline scalar aungierRedlichKwong::rho(
i++; i++;
if (i>8) if (i>8)
{ {
//using bisection methode as backup, //CL: using bisection methode as backup,
//solution must be between rho=0.001 to rho=1500; //CL: solution must be between rho=0.001 to rho=1500;
//CL: if not, change rhoMax_ and rhoMin_
for(i=0; i<200; i++) for(i=0; i<200; i++)
{ {
scalar f1 = this->p(rho1,T) - p; scalar f1 = this->p(rho1,T) - p;
@ -347,6 +337,7 @@ inline scalar aungierRedlichKwong::rho(
return this->W()/molarVolume; return this->W()/molarVolume;
} }
//- Return density [kg/m^3] //- 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
{ {
@ -354,88 +345,24 @@ inline scalar aungierRedlichKwong::rho(const scalar p,const scalar T) const
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] //- Return compressibility drho/dp at T=constant [s^2/m^2]
inline scalar aungierRedlichKwong::psi(const scalar rho, const scalar T) const 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)*pow(rho,2)/this->W();
} }
//- Return compression factor [] //- 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->rho(p,T,rho0))/(this->R()*T); return p/(this->R()*T*this->rho(p,T,rho0));
} }
// * * * * * * * * * * * * * * * Member Operators * * * * * * * * * * * * * // // * * * * * * * * * * * * * * * Member Operators * * * * * * * * * * * * * //
inline void aungierRedlichKwong::operator+=(const aungierRedlichKwong& pg)
{
specie::operator+=(pg);
}
inline void aungierRedlichKwong::operator-=(const aungierRedlichKwong& pg)
{
specie::operator-=(pg);
}
inline void aungierRedlichKwong::operator*=(const scalar s)
{
specie::operator*=(s);
}
// * * * * * * * * * * * * * * * Friend Operators * * * * * * * * * * * * * // // * * * * * * * * * * * * * * * Friend Operators * * * * * * * * * * * * * //
//****************not working**************//
/*
inline aungierRedlichKwong operator+
(
const aungierRedlichKwong& pg1,
const aungierRedlichKwong& pg2
)
{
return aungierRedlichKwong
(
static_cast<const specie&>(pg1)
+ static_cast<const specie&>(pg2)
);
}
inline aungierRedlichKwong operator-
(
const aungierRedlichKwong& pg1,
const aungierRedlichKwong& pg2
)
{
return aungierRedlichKwong
(
static_cast<const specie&>(pg1)
- static_cast<const specie&>(pg2)
);
}
inline aungierRedlichKwong operator*
(
const scalar s,
const aungierRedlichKwong& pg
)
{
return aungierRedlichKwong(s*static_cast<const specie&>(pg));
}
inline aungierRedlichKwong operator==
(
const aungierRedlichKwong& pg1,
const aungierRedlichKwong& pg2
)
{
return pg2 - pg1;
}
*/
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

16
src/thermophysicalModels/specie/equationOfState/pengRobinson/pengRobinson.C
View file

@ -2,7 +2,7 @@
========= | ========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | \\ / O peration |
\\ / A nd | \\ / A nd | Copyright held by original author
\\/ M anipulation | \\/ M anipulation |
------------------------------------------------------------------------------- -------------------------------------------------------------------------------
License License
@ -61,22 +61,22 @@ pengRobinson::pengRobinson(Istream& is)
pcrit_(readScalar(is)), pcrit_(readScalar(is)),
Tcrit_(readScalar(is)), Tcrit_(readScalar(is)),
azentricFactor_(readScalar(is)), azentricFactor_(readScalar(is)),
a_(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)), n_(0.37464+1.54226*azentricFactor_-0.26992*pow(azentricFactor_,2)),
rhostd_(this->rho(Pstd,Tstd,Pstd*this->W()/(Tstd*this->R()))) TSave(0.0),
rhostd_(this->rho(Pstd,Tstd,Pstd/(Tstd*this->R())))
{ {
is.check("pengRobinson::pengRobinson(Istream& is)"); is.check("pengRobinson::pengRobinson(Istream& is)");
} }
// * * * * * * * * * * * * * * * Ostream Operator * * * * * * * * * * * * * // // * * * * * * * * * * * * * * * Ostream Operator * * * * * * * * * * * * * //
Ostream& operator<<(Ostream& os, const pengRobinson& pg) Ostream& operator<<(Ostream& os, const pengRobinson& pr)
{ {
os << static_cast<const specie&>(pg)<< tab os << static_cast<const specie&>(pr)<< tab
<< pg.pcrit_ << tab<< pg.Tcrit_<< tab << pg.azentricFactor_; << pr.pcrit_ << tab<< pr.Tcrit_<< tab << pr.azentricFactor_;
os.check("Ostream& operator<<(Ostream& os, const pengRobinson& st)"); os.check("Ostream& operator<<(Ostream& os, const pengRobinson& st)");
return os; return os;

105
src/thermophysicalModels/specie/equationOfState/pengRobinson/pengRobinson.H
View file

@ -2,7 +2,7 @@
========= | ========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | \\ / O peration |
\\ / A nd | \\ / A nd | Copyright held by original author
\\/ M anipulation | \\/ M anipulation |
------------------------------------------------------------------------------- -------------------------------------------------------------------------------
License License
@ -28,6 +28,12 @@ Class
Description Description
Peng Robinson equation of state. Peng Robinson equation of state.
Paper:
Title: A New Two-Constant Equation of State
Authors: Ding-Yu Peng and Donald B. Robinson
Journal: Ind. Eng. Chem., Fundam., Vol. 15, No. 1, 1976
SourceFiles SourceFiles
pengRobinsonI.H pengRobinsonI.H
pengRobinson.C pengRobinson.C
@ -39,7 +45,6 @@ Institut für Thermodynamik
Technische Universität Braunschweig Technische Universität Braunschweig
Germany Germany
\*---------------------------------------------------------------------------*/ \*---------------------------------------------------------------------------*/
#ifndef pengRobinson_H #ifndef pengRobinson_H
@ -63,19 +68,6 @@ class pengRobinson
public specie public specie
{ {
//Member Variabels
scalar pcrit_;
scalar Tcrit_;
scalar azentricFactor_;
//-Peng Robinson factors
scalar a_;
scalar b_;
scalar n_;
//- Density @STD, initialise after a, b!
scalar rhostd_;
// Static Private data // Static Private data
//should be read from the fvSolution file where rhoMax and rhoMin values must be defined (for rhoSimpleFoam) //should be read from the fvSolution file where rhoMax and rhoMin values must be defined (for rhoSimpleFoam)
@ -83,6 +75,34 @@ class pengRobinson
static const scalar rhoMax_; static const scalar rhoMax_;
static const scalar rhoMin_; static const scalar rhoMin_;
protected:
// Protected data
scalar pcrit_;
scalar Tcrit_;
scalar azentricFactor_;
//-Peng Robinson factors
scalar n_;
scalar a0_;
mutable scalar b_;
//CL: Variables to save the values of a, dadT and d2adT2 of the mixture
//CL: Variables must corrected for changing temperatures
mutable scalar aSave;
mutable scalar daSave;
mutable scalar d2aSave;
//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: public:
@ -90,11 +110,9 @@ public:
// Constructors // Constructors
//- Construct from components //- Construct from components
inline pengRobinson( inline pengRobinson
const specie& sp, (
scalar pcrit, const specie& sp
scalar Tcrit,
scalar azentricFactor
); );
//- Construct from Istream //- Construct from Istream
@ -109,15 +127,28 @@ public:
// Selector from Istream // Selector from Istream
inline static autoPtr<pengRobinson> New(Istream& is); inline static autoPtr<pengRobinson> New(Istream& is);
// Member functions // Member functions
inline scalar rhostd()const; 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;
inline scalar a0()const;
inline scalar b()const;
inline scalar n()const;
//CL: Equation of state
inline scalar p(const scalar rho, const scalar T) const; inline scalar p(const scalar rho, const scalar T) const;
//first order derivatives //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 dpdT(const scalar rho, const scalar T) const;
@ -138,14 +169,14 @@ public:
const scalar T const scalar T
) const; ) const;
// Used for cv //CL: Used for cv
inline scalar integral_d2pdT2_dv inline scalar integral_d2pdT2_dv
( (
const scalar rho, const scalar rho,
const scalar T const scalar T
) const ; ) 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 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;
@ -154,10 +185,10 @@ public:
inline scalar d2vdT2(const scalar rho,const scalar T) const; inline scalar d2vdT2(const scalar rho,const scalar T) const;
//Used for internal Energy //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] //- Return density [kg/m^3]
@ -185,13 +216,16 @@ public:
// Member operators // Member operators
/*
inline void operator+=(const pengRobinson&); inline void operator+=(const pengRobinson&);
inline void operator-=(const pengRobinson&); inline void operator-=(const pengRobinson&);
inline void operator*=(const scalar); inline void operator*=(const scalar);
*/
/* // Friend operators // Friend operators
inline friend pengRobinson operator+ inline friend pengRobinson operator+
( (
@ -199,25 +233,12 @@ public:
const pengRobinson& const pengRobinson&
); );
inline friend pengRobinson operator-
(
const pengRobinson&,
const pengRobinson&
);
inline friend pengRobinson operator* inline friend pengRobinson operator*
( (
const scalar s, const scalar s,
const pengRobinson& const pengRobinson&
); );
inline friend pengRobinson operator==
(
const pengRobinson&,
const pengRobinson&
);
*/
// Ostream Operator // Ostream Operator
friend Ostream& operator<<(Ostream&, const pengRobinson&); friend Ostream& operator<<(Ostream&, const pengRobinson&);

336
src/thermophysicalModels/specie/equationOfState/pengRobinson/pengRobinsonI.H
View file

@ -2,7 +2,7 @@
========= | ========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | \\ / O peration |
\\ / A nd | \\ / A nd | Copyright held by original author
\\/ M anipulation | \\/ M anipulation |
------------------------------------------------------------------------------- -------------------------------------------------------------------------------
License License
@ -28,7 +28,6 @@ Institut für Thermodynamik
Technische Universität Braunschweig Technische Universität Braunschweig
Germany Germany
\*---------------------------------------------------------------------------*/ \*---------------------------------------------------------------------------*/
#include "pengRobinson.H" #include "pengRobinson.H"
@ -38,40 +37,31 @@ Germany
namespace Foam namespace Foam
{ {
// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * // // * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
// Construct from components // Construct from components
inline pengRobinson::pengRobinson inline pengRobinson::pengRobinson
( (
const specie& sp, const specie& sp
scalar pcrit,
scalar Tcrit,
scalar azentricFactor
) )
: :
specie(sp), specie(sp),
pcrit_(pcrit), TSave(0)
Tcrit_(Tcrit),
azentricFactor_(azentricFactor),
a_(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)),
rhostd_(this->rho(Pstd,Tstd,Pstd*this->W()/(Tstd*this->R())))
{} {}
// Construct as named copy // Construct as named copy
inline pengRobinson::pengRobinson(const word& name, const pengRobinson& pg) inline pengRobinson::pengRobinson(const word& name, const pengRobinson& pr)
: :
specie(name, pg), specie(name, pr),
pcrit_(pg.pcrit_), pcrit_(pr.pcrit_),
Tcrit_(pg.Tcrit_), Tcrit_(pr.Tcrit_),
azentricFactor_(pg.azentricFactor_), azentricFactor_(pr.azentricFactor_),
a_(pg.a_), a0_(pr.a0_),
b_(pg.b_), b_(pr.b_),
n_(pg.n_), n_(pr.n_),
rhostd_(pg.rhostd_) rhostd_(pr.rhostd_),
TSave(0)
{} {}
@ -91,19 +81,98 @@ inline autoPtr<pengRobinson> pengRobinson::New(Istream& is)
// * * * * * * * * * * * * * Member Functions * * * * * * * * * * * // // * * * * * * * * * * * * * Member Functions * * * * * * * * * * * //
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*pow(T,2));
//CL: saving the temperature at which the coefficients are valid
TSave=T;
}
inline scalar pengRobinson::rhostd()const inline scalar pengRobinson::rhostd()const
{ {
return rhostd_; return rhostd_;
} }
//CL: Model coefficient a(T)
inline scalar pengRobinson::a(const scalar T)const
{
//CL: check if a has already been calculated for this temperature
if(TSave==T)
{
return aSave;
}
//CL: If not, recalculate a(T), dadT(T) and d2adT2(T)
else
{
updateModelCoefficients(T);
return aSave;
}
}
//CL: temperature deriviative of model coefficient a(T)
inline scalar pengRobinson::dadT(const scalar T)const
{
// check if a has already been calculated for this temperature
if(TSave==T)
{
return daSave;
}
//CL: If not, recalculate a(T), dadT(T) and d2adT2(T)
else
{
updateModelCoefficients(T);
return daSave;
}
}
//CL: second order temperature deriviative of model coefficient a(T)
inline scalar pengRobinson::d2adT2(const scalar T)const
{
// check if a has already been calculated for this temperature
if(TSave==T)
{
return d2aSave;
}
//CL: If not, recalculate a(T), dadT(T) and d2adT2(T)
else
{
updateModelCoefficients(T);
return d2aSave;
}
}
inline scalar pengRobinson::a0()const
{
return a0_;
}
inline scalar pengRobinson::b()const
{
return b_;
}
inline scalar pengRobinson::n()const
{
return n_;
}
//returns the pressure for a given density and temperature //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 Vm = this->W()/rho;
return this->RR*T/(Vm-b_)
-(a_*pow((1+n_*(1-pow((T/Tcrit_),0.5))),2)) return this->RR*T/(Vm-b_)-a(T)/(pow(Vm,2)+2*b_*Vm-pow(b_,2));
/(pow(Vm,2)+2*b_*Vm-pow(b_,2));
} }
@ -112,20 +181,19 @@ inline scalar pengRobinson::p(const scalar rho,const scalar T) const
inline scalar pengRobinson::dpdv(const scalar rho, const scalar T) const inline scalar pengRobinson::dpdv(const scalar rho, const scalar T) const
{ {
scalar Vm = this->W()/rho; scalar Vm = this->W()/rho;
return
-( return(
4*a_*n_*Tcrit_*(b_-Vm)*(pow(b_,2) 2*a(T)*
-pow(Vm,2))*(n_+1)*pow((T/Tcrit_),0.5) (
+Tcrit_*(-2*a_*pow((n_+1),2)*(pow(b_,3)-pow(b_,2)*Vm pow(b_,3)-pow(b_,2)*Vm-b_*pow(Vm,2)+pow(Vm,3)
-b_*pow(Vm,2)+pow(Vm,3)) )
+this->RR*T*(pow(b_,4)-4*pow(b_,3)*Vm -this->RR*T*
+2*pow(b_,2)*pow(Vm,2) (
+4*b_*pow(Vm,3)+pow(Vm,4))) pow(b_,4)-4*pow(b_,3)*Vm+2*pow(b_,2)*pow(Vm,2)
-2*a_*pow(n_,2)*T*(pow(b_,3)-pow(b_,2)*Vm +4*b_*pow(Vm,3)+pow(Vm,4)
-b_*pow(Vm,2)+pow(Vm,3)) )
) )
/(Tcrit_*pow((b_-Vm),2)*pow((pow(b_,2) /(pow(b_-Vm,2)*pow(pow(b_,2)-2*b_*Vm-pow(Vm,2),2));
-2*b_*Vm-pow(Vm,2)),2));
} }
@ -134,15 +202,8 @@ inline scalar pengRobinson::dpdv(const scalar rho, const scalar T) const
inline scalar pengRobinson::dpdT(const scalar rho, const scalar T) const inline scalar pengRobinson::dpdT(const scalar rho, const scalar T) const
{ {
scalar Vm = this->W()/rho; scalar Vm = this->W()/rho;
return
( return this->RR/(Vm-b_)-dadT(T)/(pow(Vm,2)+2*b_*Vm-pow(b_,2));
-a_*n_*(n_+1)*pow((T/Tcrit_),0.5)
/(T*(pow(b_,2)
-2*b_*Vm-pow(Vm,2)))
+a_*pow(n_,2)/(Tcrit_*(pow(b_,2)
-2*b_*Vm-pow(Vm,2)))
-this->RR/(b_-Vm)
);
} }
@ -167,14 +228,8 @@ inline scalar pengRobinson::dvdp(const scalar rho,const scalar T) const
inline scalar pengRobinson::integral_p_dv(const scalar rho,const scalar T) const inline scalar pengRobinson::integral_p_dv(const scalar rho,const scalar T) const
{ {
scalar Vm = this->W()/rho; scalar Vm = this->W()/rho;
return pow(2,0.5)*a_*(2*n_*Tcrit_*(n_+1)*pow(T/Tcrit_,0.5)
-Tcrit_*(pow(n_,2)+2*n_+1)-pow(n_,2)*T) return -pow(2,0.5)*a(T)*log(b_*(1-pow(2,0.5))+Vm)/(4*b_)+this->RR*T*log(Vm-b_)+pow(2,0.5)*a(T)*log(b_*(pow(2,0.5)+1)+Vm)/(4*b_);
*log(b_*(1-pow(2,0.5))+Vm)/(4*b_*Tcrit_)
+this->RR*T*log(Vm-b_)
-pow(2,0.5)*a_*(2*n_*Tcrit_*(n_+1)*pow(T/Tcrit_,0.5)
-Tcrit_*(pow(n_,2)+2*n_+1)
-pow(n_,2)*T)*log(b_*(pow(2,0.5)+1)+Vm)
/(4*b_*Tcrit_);
} }
@ -183,13 +238,8 @@ inline scalar pengRobinson::integral_p_dv(const scalar rho,const scalar T) const
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 Vm = this->W()/rho;
return (pow(2,0.5)*a_*n_*(n_+1)*pow(T/Tcrit_,0.5)/(4*b_*T)
-pow(2,0.5)*a_*pow(n_,2)/(4*b_*Tcrit_)) return -pow(2,0.5)*dadT(T)*log(b_*(1-pow(2,0.5))+Vm)/(4*b_)+this->RR*log(Vm-b_)+pow(2,0.5)*dadT(T)*log(b_*(pow(2,0.5)+1)+Vm)/(4*b_);
*log(b_*(1-pow(2,0.5))+Vm)
+this->RR*log(Vm-b_)
+(pow(2,0.5)*a_*pow(n_,2)/(4*b_*Tcrit_)
-pow(2,0.5)*a_*n_*(n_+1)*pow(T/Tcrit_,0.5)/(4*b_*T))
*log(b_*(pow(2,0.5)+1)+Vm);
} }
@ -197,10 +247,8 @@ inline scalar pengRobinson::integral_dpdT_dv(const scalar rho,const scalar T) co
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; scalar Vm = this->W()/rho;
return
a_*n_*(n_+1)*pow((T/Tcrit_),0.5) return -d2adT2(T)/(pow(Vm,2)+2*b_*Vm-pow(b_,2));
/(2*pow(T,2)*(pow(b_,2)
-2*b_*Vm-pow(Vm,2)));
} }
@ -208,51 +256,20 @@ inline scalar pengRobinson::d2pdT2(const scalar rho,const scalar T) const
inline scalar pengRobinson::d2pdv2(const scalar rho,const scalar T) const inline scalar pengRobinson::d2pdv2(const scalar rho,const scalar T) const
{ {
scalar Vm = this->W()/rho; scalar Vm = this->W()/rho;
return
2*( return 2*
2*a_*n_*Tcrit_*(b_-Vm)*(n_+1)* (
( a(T)*
5*pow(b_,4)-4*pow(b_,3)*Vm (
-4*pow(b_,2)*pow(Vm,2) 5*pow(b_,5)-9*pow(b_,4)*Vm+4*pow(b_,2)*pow(Vm,3)+3*b_*pow(Vm,4)-3*pow(Vm,5)
+3*pow(Vm,4) )
) -this->RR*T*
*pow(T/Tcrit_,0.5) (
+Tcrit_* pow(b_,6)-6*pow(b_,5)*Vm+9*pow(b_,4)*pow(Vm,2)+4*pow(b_,3)*pow(Vm,3)
( -9*pow(b_,2)*pow(Vm,4)-6*b_*pow(Vm,5)-pow(Vm,6)
this->RR*T* )
( )
pow(b_,6) /(pow(b_-Vm,3)*pow(pow(b_,2)-2*b_*Vm-pow(Vm,2),3));
-6*pow(b_,5)*Vm
+9*pow(b_,4)*pow(Vm,2)
+4*pow(b_,3)*pow(Vm,3)
-9*pow(b_,2)*pow(Vm,4)
-6*b_*pow(Vm,5)
-pow(Vm,6)
)
-a_*pow((n_+1),2)*
(
5*pow(b_,5)
-9*pow(b_,4)*Vm
+4*pow(b_,2)*pow(Vm,3)
+3*b_*pow(Vm,4)-3*pow(Vm,5)
)
)
-a_*pow(n_,2)*T*
(
5*pow(b_,5)
-9*pow(b_,4)*Vm
+4*pow(b_,2)*pow(Vm,3)
+3*b_*pow(Vm,4)
-3*pow(Vm,5)
)
)
/
(
Tcrit_*
pow((pow(b_,2)
-2*b_*Vm-pow(Vm,2)),3)
*pow((Vm-b_),3)
);
} }
@ -274,11 +291,19 @@ inline scalar pengRobinson::d2vdT2(const scalar rho, const scalar T) const
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 Vm = this->W()/rho;
return -2*a_*n_*(b_+Vm)*(n_+1)*pow(T/Tcrit_,0.5)
/(T*pow((pow(b_,2)-2*b_*Vm-pow(Vm,2)),2)) return(
+(2*a_*pow(n_,2)*(b_+Vm)) 2*dadT(T)*
/(Tcrit_*pow(pow(b_,2)-2*b_*Vm-pow(Vm,2),2)) (
-this->RR/(pow(b_-Vm,2)); pow(b_,3)-pow(b_,2)*Vm-b_*pow(Vm,2)+pow(Vm,3)
)
-this->RR*
(
pow(b_,4)-4*pow(b_,3)*Vm+2*pow(b_,2)*pow(Vm,2)
+4*b_*pow(Vm,3)+pow(Vm,4)
)
)
/(pow(b_-Vm,2)*pow(pow(b_,2)-2*b_*Vm-pow(Vm,2),2));
} }
@ -287,10 +312,8 @@ inline scalar pengRobinson::d2pdvdT(const scalar rho, const scalar T) const
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 Vm = this->W()/rho;
return pow(2,0.5)*a_*n_*(n_+1)*pow(T/Tcrit_,0.5)
*log(b_*(pow(2,0.5)+1)+Vm)/(8*b_*pow(T,2)) 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_);
-pow(2,0.5)*a_*n_*(n_+1)*pow(T/Tcrit_,0.5)
*log(b_*(1-pow(2,0.5))+Vm)/(8*b_*pow(T,2));
} }
@ -307,7 +330,8 @@ inline scalar pengRobinson::isobarExpCoef(const scalar rho,const scalar T) cons
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); return this->isobarExpCoef(rho, T)/this->dpdT(rho, T);
//also possible : return -this->dvdp(rho,T)*rho/this->W(); //CL: also possible
//CL: return -this->dvdp(rho,T)*rho/this->W();
} }
@ -332,7 +356,7 @@ inline scalar pengRobinson::rho(
do do
{ {
molarVolumePrevIteration= molarVolume; molarVolumePrevIteration= molarVolume;
label i=0; label i=0;
do do
{ {
@ -345,8 +369,9 @@ inline scalar pengRobinson::rho(
i++; i++;
if (i>8) if (i>8)
{ {
//using bisection methode as backup, //CL: using bisection methode as backup,
//solution must be between rho=0.001 to rho=1500; //CL: solution must be between rho=0.001 to rho=1500;
//CL: if not, change rhoMax_ and rhoMin_
for(i=0; i<200; i++) for(i=0; i<200; i++)
{ {
scalar f1 = this->p(rho1,T) - p; scalar f1 = this->p(rho1,T) - p;
@ -419,20 +444,21 @@ inline scalar pengRobinson::psi(const scalar rho, const scalar T) const
//- Return compression factor [] //- 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->rho(p,T,rho0))/(this->R()*T); return p/(this->R()*T*this->rho(p,T,rho0));
} }
// * * * * * * * * * * * * * * * Member Operators * * * * * * * * * * * * * // // * * * * * * * * * * * * * * * Member Operators * * * * * * * * * * * * * //
inline void pengRobinson::operator+=(const pengRobinson& pg) /*
inline void pengRobinson::operator+=(const pengRobinson& pr)
{ {
specie::operator+=(pg); specie::operator+=(pr);
} }
inline void pengRobinson::operator-=(const pengRobinson& pg) inline void pengRobinson::operator-=(const pengRobinson& pr)
{ {
specie::operator-=(pg); specie::operator-=(pr);
} }
inline void pengRobinson::operator*=(const scalar s) inline void pengRobinson::operator*=(const scalar s)
@ -440,59 +466,31 @@ inline void pengRobinson::operator*=(const scalar s)
specie::operator*=(s); specie::operator*=(s);
} }
*/
// * * * * * * * * * * * * * * * Friend Operators * * * * * * * * * * * * * // // * * * * * * * * * * * * * * * Friend Operators * * * * * * * * * * * * * //
//****************not working**************//
/*
inline pengRobinson operator+ inline pengRobinson operator+
( (
const pengRobinson& pg1, const pengRobinson& pr1,
const pengRobinson& pg2 const pengRobinson& pr2
) )
{ {
return pengRobinson return pengRobinson
( (
static_cast<const specie&>(pg1) static_cast<const specie&>(pr1)
+ static_cast<const specie&>(pg2) + static_cast<const specie&>(pr2)
); );
} }
inline pengRobinson operator-
(
const pengRobinson& pg1,
const pengRobinson& pg2
)
{
return pengRobinson
(
static_cast<const specie&>(pg1)
- static_cast<const specie&>(pg2)
);
}
inline pengRobinson operator* inline pengRobinson operator*
( (
const scalar s, const scalar s,
const pengRobinson& pg const pengRobinson& pr
) )
{ {
return pengRobinson(s*static_cast<const specie&>(pg)); return pengRobinson(s*static_cast<const specie&>(pr));
} }
inline pengRobinson operator==
(
const pengRobinson& pg1,
const pengRobinson& pg2
)
{
return pg2 - pg1;
}
*/
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
} // End namespace Foam } // End namespace Foam

11
src/thermophysicalModels/specie/equationOfState/redlichKwong/redlichKwong.C
View file

@ -2,7 +2,7 @@
========= | ========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | \\ / O peration |
\\ / A nd | \\ / A nd | Copyright held by original author
\\/ M anipulation | \\/ M anipulation |
------------------------------------------------------------------------------- -------------------------------------------------------------------------------
License License
@ -31,7 +31,6 @@ Institut für Thermodynamik
Technische Universität Braunschweig Technische Universität Braunschweig
Germany Germany
\*---------------------------------------------------------------------------*/ \*---------------------------------------------------------------------------*/
#include "redlichKwong.H" #include "redlichKwong.H"
@ -64,7 +63,7 @@ redlichKwong::redlichKwong(Istream& 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_), b_(0.08664*this->RR*Tcrit_/pcrit_),
// Starting GUESS for the density by ideal gas law // Starting GUESS for the density by ideal gas law
rhostd_(this->rho(Pstd, Tstd, Pstd*this->W()/(Tstd*this->R()))) rhostd_(this->rho(Pstd, Tstd, Pstd/(Tstd*this->R())))
{ {
is.check("redlichKwong::redlichKwong(Istream& is)"); is.check("redlichKwong::redlichKwong(Istream& is)");
} }
@ -72,10 +71,10 @@ redlichKwong::redlichKwong(Istream& is)
// * * * * * * * * * * * * * * * Ostream Operator * * * * * * * * * * * * * // // * * * * * * * * * * * * * * * Ostream Operator * * * * * * * * * * * * * //
Ostream& operator<<(Ostream& os, const redlichKwong& pg) Ostream& operator<<(Ostream& os, const redlichKwong& rk)
{ {
os << static_cast<const specie&>(pg)<< tab os << static_cast<const specie&>(rk)<< tab
<< pg.pcrit_ << tab<< pg.Tcrit_; << rk.pcrit_ << tab<< rk.Tcrit_;
os.check("Ostream& operator<<(Ostream& os, const redlichKwong& st)"); os.check("Ostream& operator<<(Ostream& os, const redlichKwong& st)");
return os; return os;

54
src/thermophysicalModels/specie/equationOfState/redlichKwong/redlichKwong.H
View file

@ -2,7 +2,7 @@
========= | ========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | \\ / O peration |
\\ / A nd | \\ / A nd | Copyright held by original author
\\/ M anipulation | \\/ M anipulation |
------------------------------------------------------------------------------- -------------------------------------------------------------------------------
License License
@ -38,7 +38,6 @@ Institut für Thermodynamik
Technische Universität Braunschweig Technische Universität Braunschweig
Germany Germany
\*---------------------------------------------------------------------------*/ \*---------------------------------------------------------------------------*/
#ifndef redlichKwong_H #ifndef redlichKwong_H
@ -60,18 +59,6 @@ class redlichKwong
: :
public specie public specie
{ {
// Private data
scalar pcrit_;
scalar Tcrit_;
//-Redlich Kwong factors
scalar a_;
scalar b_;
//- Density @STD, initialise after a, b!
scalar rhostd_;
// Static Private data // Static Private data
//should be read from the fvSolution file where rhoMax and rhoMin values must be defined (for rhoSimpleFoam) //should be read from the fvSolution file where rhoMax and rhoMin values must be defined (for rhoSimpleFoam)
@ -79,18 +66,26 @@ class redlichKwong
static const scalar rhoMax_; static const scalar rhoMax_;
static const scalar rhoMin_; static const scalar rhoMin_;
protected:
// Protected data
scalar pcrit_;
scalar Tcrit_;
//-Redlich Kwong factors
mutable scalar a_;
mutable scalar b_;
//- Density @STD, initialise after a, b!
mutable scalar rhostd_;
public: public:
// Constructors // Constructors
//- Construct from components //- Construct from components
inline redlichKwong inline redlichKwong
( (
const specie& sp, const specie& sp
scalar pcrit,
scalar Tcrit
); );
//- Construct from Istream //- Construct from Istream
@ -109,6 +104,10 @@ public:
inline scalar rhostd() const; inline scalar rhostd() const;
inline scalar a() const;
inline scalar b() const;
inline scalar p(const scalar rho, const scalar T) const; inline scalar p(const scalar rho, const scalar T) const;
@ -173,16 +172,16 @@ public:
const scalar rho0 const scalar rho0
) const; ) const;
/*
// Member operators // Member operators
inline void operator+=(const redlichKwong&); inline void operator+=(const redlichKwong&);
inline void operator-=(const redlichKwong&); inline void operator-=(const redlichKwong&);
inline void operator*=(const scalar); inline void operator*=(const scalar);
*/
// Friend operators
/* // Friend operators
inline friend redlichKwong operator+ inline friend redlichKwong operator+
( (
@ -190,25 +189,12 @@ public:
const redlichKwong& const redlichKwong&
); );
inline friend redlichKwong operator-
(
const redlichKwong&,
const redlichKwong&
);
inline friend redlichKwong operator* inline friend redlichKwong operator*
( (
const scalar s, const scalar s,
const redlichKwong& const redlichKwong&
); );
inline friend redlichKwong operator==
(
const redlichKwong&,
const redlichKwong&
);
*/
// Ostream Operator // Ostream Operator
friend Ostream& operator<<(Ostream&, const redlichKwong&); friend Ostream& operator<<(Ostream&, const redlichKwong&);

107
src/thermophysicalModels/specie/equationOfState/redlichKwong/redlichKwongI.H
View file

@ -2,7 +2,7 @@
========= | ========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | \\ / O peration |
\\ / A nd | \\ / A nd | Copyright held by original author
\\/ M anipulation | \\/ M anipulation |
------------------------------------------------------------------------------- -------------------------------------------------------------------------------
License License
@ -28,7 +28,6 @@ Institut für Thermodynamik
Technische Universität Braunschweig Technische Universität Braunschweig
Germany Germany
\*---------------------------------------------------------------------------*/ \*---------------------------------------------------------------------------*/
#include "redlichKwong.H" #include "redlichKwong.H"
@ -43,30 +42,22 @@ namespace Foam
// Construct from components // Construct from components
inline redlichKwong::redlichKwong inline redlichKwong::redlichKwong
( (
const specie& sp, const specie& sp
scalar pcrit,
scalar Tcrit
) )
: :
specie(sp), specie(sp)
pcrit_(pcrit),
Tcrit_(Tcrit),
a_(0.42748*pow(this->RR,2)*pow(Tcrit_,2.5)/pcrit_),
b_(0.08664*this->RR*Tcrit_/pcrit_),
// Starting GUESS for the density by ideal gas law
rhostd_(this->rho(Pstd, Tstd, Pstd*this->W()/(Tstd*this->R())))
{} {}
// Construct as named copy // Construct as named copy
inline redlichKwong::redlichKwong(const word& name, const redlichKwong& pg) inline redlichKwong::redlichKwong(const word& name, const redlichKwong& rk)
: :
specie(name, pg), specie(name, rk),
pcrit_(pg.pcrit_), pcrit_(rk.pcrit_),
Tcrit_(pg.Tcrit_), Tcrit_(rk.Tcrit_),
a_(pg.a_), a_(rk.a_),
b_(pg.b_), b_(rk.b_),
rhostd_(pg.rhostd_) rhostd_(rk.rhostd_)
{} {}
@ -84,20 +75,30 @@ inline autoPtr<redlichKwong> redlichKwong::New(Istream& is)
} }
// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * // // * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
inline scalar redlichKwong::rhostd()const inline scalar redlichKwong::rhostd()const
{ {
return rhostd_; return rhostd_;
} }
inline scalar redlichKwong::a()const
{
return a_;
}
inline scalar redlichKwong::b()const
{
return b_;
}
//returns the pressure for a given density and temperature //returns the pressure for a given density and temperature
inline scalar redlichKwong::p(const scalar rho, const scalar T) const inline scalar redlichKwong::p(const scalar rho, const scalar T) const
{ {
scalar Vm = this->W()/rho; scalar Vm = this->W()/rho;
return this->RR*T/(Vm - b_) - a_/(sqrt(T)*Vm*(Vm + b_)); return this->RR*T/(Vm - b_) - a_/(sqrt(T)*Vm*(Vm + b_));
} }
@ -300,8 +301,9 @@ inline scalar redlichKwong::rho
i++; i++;
if (i>8) if (i>8)
{ {
//using bisection methode as backup, //CL: using bisection methode as backup,
//solution must be between rho=0.001 to rho=1500; //CL: solution must be between rho=0.001 to rho=1500;
//CL: if not, change rhoMax_ and rhoMin_
for(i=0; i<200; i++) for(i=0; i<200; i++)
{ {
scalar f1 = this->p(rho1,T) - p; scalar f1 = this->p(rho1,T) - p;
@ -379,22 +381,22 @@ inline scalar redlichKwong::Z
const scalar rho0 const scalar rho0
) const ) const
{ {
return p*this->rho(p,T,rho0)/(this->R()*T); return p/(this->R()*T*this->rho(p,T,rho0));
} }
// * * * * * * * * * * * * * * * Member Operators * * * * * * * * * * * * * // // * * * * * * * * * * * * * * * Member Operators * * * * * * * * * * * * * //
/*
inline void redlichKwong::operator+=(const redlichKwong& rk)
inline void redlichKwong::operator+=(const redlichKwong& pg)
{ {
specie::operator+=(pg); specie::operator+=(rk);
} }
inline void redlichKwong::operator-=(const redlichKwong& pg) inline void redlichKwong::operator-=(const redlichKwong& rk)
{ {
specie::operator-=(pg); specie::operator-=(rk);
} }
@ -403,59 +405,32 @@ inline void redlichKwong::operator*=(const scalar s)
specie::operator*=(s); specie::operator*=(s);
} }
*/
// * * * * * * * * * * * * * * * Friend Operators * * * * * * * * * * * * * // // * * * * * * * * * * * * * * * Friend Operators * * * * * * * * * * * * * //
//****************not working**************////
/*
inline redlichKwong operator+ inline redlichKwong operator+
( (
const redlichKwong& pg1, const redlichKwong& rk1,
const redlichKwong& pg2 const redlichKwong& rk2
) )
{ {
return redlichKwong return redlichKwong
( (
static_cast<const specie&>(pg1) static_cast<const specie&>(rk1)
+ static_cast<const specie&>(pg2) + static_cast<const specie&>(rk2)
); );
} }
inline redlichKwong operator-
(
const redlichKwong& pg1,
const redlichKwong& pg2
)
{
return redlichKwong
(
static_cast<const specie&>(pg1)
- static_cast<const specie&>(pg2)
);
}
inline redlichKwong operator* inline redlichKwong operator*
( (
const scalar s, const scalar s,
const redlichKwong& pg const redlichKwong& rk
) )
{ {
return redlichKwong(s*static_cast<const specie&>(pg)); return redlichKwong(s*static_cast<const specie&>(rk));
} }
inline redlichKwong operator==
(
const redlichKwong& pg1,
const redlichKwong& pg2
)
{
return pg2 - pg1;
}
*/
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
} // End namespace Foam } // End namespace Foam

12
src/thermophysicalModels/specie/equationOfState/soaveRedlichKwong/soaveRedlichKwong.C
View file

@ -2,7 +2,7 @@
========= | ========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | \\ / O peration |
\\ / A nd | \\ / A nd | Copyright held by original author
\\/ M anipulation | \\/ M anipulation |
------------------------------------------------------------------------------- -------------------------------------------------------------------------------
License License
@ -60,11 +60,11 @@ soaveRedlichKwong::soaveRedlichKwong(Istream& is)
pcrit_(readScalar(is)), pcrit_(readScalar(is)),
Tcrit_(readScalar(is)), Tcrit_(readScalar(is)),
azentricFactor_(readScalar(is)), azentricFactor_(readScalar(is)),
a_(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_), b_(0.08664*this->RR*Tcrit_/pcrit_),
n_(0.48508+1.55171*azentricFactor_-0.15613*pow(azentricFactor_,2)), n_(0.48508+1.55171*azentricFactor_-0.15613*pow(azentricFactor_,2)),
// Starting GUESS for the density by ideal gas law // Starting GUESS for the density by ideal gas law
rhostd_(this->rho(Pstd,Tstd,Pstd*this->W()/(Tstd*this->R()))) rhostd_(this->rho(Pstd,Tstd,Pstd/(Tstd*this->R())))
{ {
is.check("soaveRedlichKwong::soaveRedlichKwong(Istream& is)"); is.check("soaveRedlichKwong::soaveRedlichKwong(Istream& is)");
} }
@ -72,10 +72,10 @@ soaveRedlichKwong::soaveRedlichKwong(Istream& is)
// * * * * * * * * * * * * * * * Ostream Operator * * * * * * * * * * * * * // // * * * * * * * * * * * * * * * Ostream Operator * * * * * * * * * * * * * //
Ostream& operator<<(Ostream& os, const soaveRedlichKwong& pg) Ostream& operator<<(Ostream& os, const soaveRedlichKwong& srk)
{ {
os << static_cast<const specie&>(pg)<< tab os << static_cast<const specie&>(srk)<< tab
<< pg.pcrit_ << tab<< pg.Tcrit_<<tab<<pg.azentricFactor_; << srk.pcrit_ << tab<< srk.Tcrit_<<tab<<srk.azentricFactor_;
os.check("Ostream& operator<<(Ostream& os, const soaveRedlichKwong& st)"); os.check("Ostream& operator<<(Ostream& os, const soaveRedlichKwong& st)");
return os; return os;

105
src/thermophysicalModels/specie/equationOfState/soaveRedlichKwong/soaveRedlichKwong.H
View file

@ -2,7 +2,7 @@
========= | ========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | \\ / O peration |
\\ / A nd | \\ / A nd | Copyright held by original author
\\/ M anipulation | \\/ M anipulation |
------------------------------------------------------------------------------- -------------------------------------------------------------------------------
License License
@ -28,6 +28,11 @@ Class
Description Description
Soave Redlich Kwong equation of state. Soave Redlich Kwong equation of state.
Paper:
Title: Equilibrium Constants from a Modified Redlich-Kwong Equation of State
Authors: G. Soave
Journal: Chemical Engineering Science, vol. 27(6), 1972, pp. 1197-1203
SourceFiles SourceFiles
soaveRedlichKwongI.H soaveRedlichKwongI.H
soaveRedlichKwong.C soaveRedlichKwong.C
@ -61,20 +66,6 @@ class soaveRedlichKwong
public specie public specie
{ {
// Private data
scalar pcrit_;
scalar Tcrit_;
scalar azentricFactor_;
//-Soave Redlich Kwong factors
scalar a_;
scalar b_;
scalar n_;
//- Density @STD, initialise after a, b!
scalar rhostd_;
// Static Private data // Static Private data
//should be read from the fvSolution file where rhoMax and rhoMin values must be defined (for rhoSimpleFoam) //should be read from the fvSolution file where rhoMax and rhoMin values must be defined (for rhoSimpleFoam)
@ -82,18 +73,46 @@ class soaveRedlichKwong
static const scalar rhoMax_; static const scalar rhoMax_;
static const scalar rhoMin_; static const scalar rhoMin_;
protected:
// Protected data
scalar pcrit_;
scalar Tcrit_;
scalar azentricFactor_;
//-Soave Redlich Kwong
scalar n_;
scalar a0_;
mutable scalar b_;
//CL: Variables to save the values of a, dadT and d2adT2 of the mixture
//CL: Variables must corrected for changing temperatures
mutable scalar aSave;
mutable scalar daSave;
mutable scalar d2aSave;
//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: public:
// Constructors // Constructors
//- Construct from components //- Construct from components
inline soaveRedlichKwong( inline soaveRedlichKwong
const specie& sp, (
scalar pcrit, const specie& s
scalar Tcrit, );
scalar azentricFactor
);
//- Construct from Istream //- Construct from Istream
soaveRedlichKwong(Istream&); soaveRedlichKwong(Istream&);
@ -110,10 +129,25 @@ public:
// Member functions // Member functions
inline scalar rhostd()const; 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;
inline scalar a0()const;
inline scalar b()const;
inline scalar n()const;
//CL: Equation of state
inline scalar p(const scalar rho, const scalar T) const; inline scalar p(const scalar rho, const scalar T) const;
//CL: first order derivatives
//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 dpdT(const scalar rho, const scalar T) const;
@ -134,10 +168,10 @@ public:
const scalar T const scalar T
) const; ) const;
// Used for cv //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 ;
// 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 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;
@ -146,7 +180,7 @@ public:
inline scalar d2vdT2(const scalar rho,const scalar T) const; inline scalar d2vdT2(const scalar rho,const scalar T) const;
//Used for internal Energy //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 //Used for Entropy
@ -177,13 +211,15 @@ public:
// Member operators // Member operators
/*
inline void operator+=(const soaveRedlichKwong&); inline void operator+=(const soaveRedlichKwong&);
inline void operator-=(const soaveRedlichKwong&); inline void operator-=(const soaveRedlichKwong&);
inline void operator*=(const scalar); inline void operator*=(const scalar);
*/
// Friend operators
/* // Friend operators
inline friend soaveRedlichKwong operator+ inline friend soaveRedlichKwong operator+
( (
@ -191,25 +227,12 @@ public:
const soaveRedlichKwong& const soaveRedlichKwong&
); );
inline friend soaveRedlichKwong operator-
(
const soaveRedlichKwong&,
const soaveRedlichKwong&
);
inline friend soaveRedlichKwong operator* inline friend soaveRedlichKwong operator*
( (
const scalar s, const scalar s,
const soaveRedlichKwong& const soaveRedlichKwong&
); );
inline friend soaveRedlichKwong operator==
(
const soaveRedlichKwong&,
const soaveRedlichKwong&
);
*/
// Ostream Operator // Ostream Operator
friend Ostream& operator<<(Ostream&, const soaveRedlichKwong&); friend Ostream& operator<<(Ostream&, const soaveRedlichKwong&);

320
src/thermophysicalModels/specie/equationOfState/soaveRedlichKwong/soaveRedlichKwongI.H
View file

@ -2,7 +2,7 @@
========= | ========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | \\ / O peration |
\\ / A nd | \\ / A nd | Copyright held by original author
\\/ M anipulation | \\/ M anipulation |
------------------------------------------------------------------------------- -------------------------------------------------------------------------------
License License
@ -43,38 +43,26 @@ namespace Foam
// Construct from components // Construct from components
inline soaveRedlichKwong::soaveRedlichKwong inline soaveRedlichKwong::soaveRedlichKwong
( (
const specie& sp, const specie& sp
scalar pcrit,
scalar Tcrit,
scalar azentricFactor
) )
: :
specie(sp), specie(sp),
pcrit_(pcrit), TSave(0)
Tcrit_(Tcrit),
azentricFactor_(azentricFactor),
a_(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)),
// Starting GUESS for the density by ideal gas law
rhostd_(this->rho(Pstd,Tstd,Pstd*this->W()/(Tstd*this->R())))
{} {}
// Construct as named copy // Construct as named copy
inline soaveRedlichKwong::soaveRedlichKwong(const word& name,const soaveRedlichKwong& pg) inline soaveRedlichKwong::soaveRedlichKwong(const word& name,const soaveRedlichKwong& srk)
: :
specie(name, pg), specie(name, srk),
pcrit_(pg.pcrit_), pcrit_(srk.pcrit_),
Tcrit_(pg.Tcrit_), Tcrit_(srk.Tcrit_),
azentricFactor_(pg.azentricFactor_), azentricFactor_(srk.azentricFactor_),
a_(pg.a_), a0_(srk.a0_),
b_(pg.b_), b_(srk.b_),
n_(pg.n_), n_(srk.n_),
rhostd_(pg.rhostd_) rhostd_(srk.rhostd_),
TSave(0)
{} {}
@ -94,21 +82,101 @@ inline autoPtr<soaveRedlichKwong> soaveRedlichKwong::New(Istream& is)
// * * * * * * * * * * * * * Member Functions * * * * * * * * * * * // // * * * * * * * * * * * * * Member Functions * * * * * * * * * * * //
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*pow(T,2));
//CL: saving the temperature at which the coefficients are valid
TSave=T;
}
inline scalar soaveRedlichKwong::rhostd()const inline scalar soaveRedlichKwong::rhostd()const
{ {
return rhostd_; return rhostd_;
} }
//CL: Model coefficient a(T)
inline scalar soaveRedlichKwong::a(const scalar T)const
{
//CL: check if a has already been calculated for this temperature
if(TSave==T)
{
return aSave;
}
//CL: If not, recalculate a(T), dadT(T) and d2adT2(T)
else
{
updateModelCoefficients(T);
return aSave;
}
}
//CL: temperature deriviative of model coefficient a(T)
inline scalar soaveRedlichKwong::dadT(const scalar T)const
{
// check if a has already been calculated for this temperature
if(TSave==T)
{
return daSave;
}
//CL: If not, recalculate a(T), dadT(T) and d2adT2(T)
else
{
updateModelCoefficients(T);
return daSave;
}
}
//CL: second order temperature deriviative of model coefficient a(T)
inline scalar soaveRedlichKwong::d2adT2(const scalar T)const
{
// check if a has already been calculated for this temperature
if(TSave==T)
{
return d2aSave;
}
//CL: If not, recalculate a(T), dadT(T) and d2adT2(T)
else
{
updateModelCoefficients(T);
return d2aSave;
}
}
inline scalar soaveRedlichKwong::a0()const
{
return a0_;
}
inline scalar soaveRedlichKwong::b()const
{
return b_;
}
inline scalar soaveRedlichKwong::n()const
{
return n_;
}
//returns the pressure for a given density and temperature //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; scalar Vm = this->W()/rho;
return return
( (
this->RR*T/(Vm-b_) this->RR*T/(Vm-b_)
-a_*pow((1+n_*(1-pow((T/Tcrit_),0.5))),2) -a(T)/(Vm*(Vm+b_))
/(Vm*(Vm+b_))
); );
} }
@ -118,27 +186,13 @@ inline scalar soaveRedlichKwong::p(const scalar rho,const scalar T) const
inline scalar soaveRedlichKwong::dpdv(const scalar rho, const scalar T) const inline scalar soaveRedlichKwong::dpdv(const scalar rho, const scalar T) const
{ {
scalar Vm = this->W()/rho; scalar Vm = this->W()/rho;
return return
-( (
2*a_*n_*Tcrit_*(b_-Vm)*(pow(b_,2) a(T)*(pow(b_,3)-3*b_*pow(Vm,2)+2*pow(Vm,3))
+b_*Vm-2*pow(Vm,2))*(n_+1)*pow((T/Tcrit_),0.5) -this->RR*T*pow(Vm,2)*(pow(b_,2)+2*b_*Vm+pow(Vm,2))
+Tcrit_* )
( /(pow(Vm,2)*pow(b_+Vm,2)*pow(b_-Vm,2));
this->RR*T*pow(Vm,2)*(pow(b_,2)
+2*b_*Vm+pow(Vm,2))
-a_*
(pow(b_,3)-3*b_*pow(Vm,2)+
2*pow(Vm,3))
*pow((n_+1),2)
)
-a_*pow(n_,2)*T*(pow(b_,3)
-3*b_*pow(Vm,2)+2*pow(Vm,3))
)
/
(
pow(Vm,2)*Tcrit_*pow((b_+Vm),2)
*pow((b_-Vm),2)
);
} }
@ -147,11 +201,12 @@ inline scalar soaveRedlichKwong::dpdv(const scalar rho, const scalar T) const
inline scalar soaveRedlichKwong::dpdT(const scalar rho, const scalar T) const inline scalar soaveRedlichKwong::dpdT(const scalar rho, const scalar T) const
{ {
scalar Vm = this->W()/rho; scalar Vm = this->W()/rho;
return a_*n_*(n_+1)*pow((T/Tcrit_),0.5)
/(T*Vm*(b_+Vm)) return
-a_*pow(n_,2) (
/(Vm*Tcrit_*(b_+Vm)) this->RR/(Vm-b_)
-this->RR/(b_-Vm); -dadT(T)/(Vm*(Vm+b_))
);
} }
@ -177,19 +232,8 @@ inline scalar soaveRedlichKwong::dvdp(const scalar rho,const scalar T) const
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; scalar Vm = this->W()/rho;
return this->RR*T*log(Vm-b_)
-( return this->RR*T*log(Vm-b_)+a(T)*log(b_+Vm)/b_-a(T)*log(Vm)/b_;
a_*(2*n_*Tcrit_*(n_+1)*pow(T/Tcrit_,0.5)
-Tcrit_*(pow(n_,2)+2*n_+1)
-pow(n_,2)*T)*log(b_+Vm)
)
/(b_*Tcrit_)
+a_*
(
2*n_*Tcrit_*(n_+1)*pow(T/Tcrit_,0.5)
-Tcrit_*(pow(n_,2)+2*n_+1)-pow(n_,2)*T
)
*log(Vm)/(b_*Tcrit_);
} }
@ -198,15 +242,8 @@ inline scalar soaveRedlichKwong::integral_p_dv(const scalar rho,const scalar T)
inline scalar soaveRedlichKwong::integral_dpdT_dv(const scalar rho,const scalar T) const inline scalar soaveRedlichKwong::integral_dpdT_dv(const scalar rho,const scalar T) const
{ {
scalar Vm = this->W()/rho; scalar Vm = this->W()/rho;
return this->RR*log(Vm-b_)
+( return this->RR*log(Vm-b_)+dadT(T)*log(b_+Vm)/b_-dadT(T)*log(Vm)/b_;
pow(n_,2)*a_/(b_*Tcrit_)
-a_*n_*(n_+1)*pow((T/Tcrit_),0.5)
/(b_*T)
)*log(b_+Vm)
+(a_*n_*(n_+1)*pow((T/Tcrit_),0.5)
/(b_*T)
-a_*pow(n_,2)/(b_*Tcrit_))*log(Vm);
} }
@ -214,8 +251,8 @@ inline scalar soaveRedlichKwong::integral_dpdT_dv(const scalar rho,const scalar
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; scalar Vm = this->W()/rho;
return -a_*n_*(n_+1)*pow(T/Tcrit_,0.5)
/(2*pow(T,2)*Vm*(b_+Vm)); return -d2adT2(T)/(Vm*(Vm+b_));
} }
@ -223,45 +260,20 @@ inline scalar soaveRedlichKwong::d2pdT2(const scalar rho,const scalar T) const
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 Vm = this->W()/rho;
return return
2*( 2*
2*a_*n_*Tcrit_*(b_-Vm)* (
a(T)*
( (
pow(b_,4)+pow(b_,3)*Vm pow(b_,5)-3*pow(b_,3)*pow(Vm,2)-pow(b_,2)*pow(Vm,3)+6*b_*pow(Vm,4)-3*pow(Vm,5)
-2*pow(b_,2)*pow(Vm,2)
-3*b_*pow(Vm,3)
+3*pow(Vm,4)
) )
*(n_+1)*pow(T/Tcrit_,0.5) +this->RR*T*pow(Vm,3)*
-Tcrit_*
( (
a_* pow(b_,3)+3*pow(b_,2)*Vm+3*b_*pow(Vm,2)+pow(Vm,3)
(
pow(b_,5)
-3*pow(b_,3)*pow(Vm,2)
-pow(b_,2)*pow(Vm,3)
+6*b_*pow(Vm,4)
-3*pow(Vm,5)
)*pow((n_+1),2)
+this->RR*T*pow(Vm,3)*
(
pow(b_,3)
+3*pow(b_,2)*Vm
+3*b_*pow(Vm,2)
+pow(Vm,3)
)
)
-a_*pow(n_,2)*T*
(
pow(b_,5)
-3*pow(b_,3)*pow(Vm,2)
-pow(b_,2)*pow(Vm,3)
+6*b_*pow(Vm,4)
-3*pow(Vm,5)
) )
) )
/(pow(Vm,3)*Tcrit_*pow((Vm+b_),3) /(pow(Vm,3)*pow(b_+Vm,3)*pow(Vm-b_,3));
*pow((b_-Vm),3));
} }
@ -283,19 +295,13 @@ inline scalar soaveRedlichKwong::d2vdT2(const scalar rho, const scalar T) const
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 Vm = this->W()/rho;
return -a_*n_*(b_+2*Vm)*(n_+1)*pow(T/Tcrit_,0.5)
/(T*pow(Vm,2)*pow((b_+Vm),2)) return
-( (
this->RR*pow(Vm,2)*Tcrit_*(pow(b_,2) dadT(T)*(pow(b_,3)-3*b_*pow(Vm,2)+2*pow(Vm,3))
+2*b_*Vm+pow(Vm,2)) -this->RR*pow(Vm,2)*(pow(b_,2)+2*b_*Vm+pow(Vm,2))
-a_*pow(n_,2)*
(
pow(b_,3)
-3*b_*pow(Vm,2)
+2*pow(Vm,3)
)
) )
/(pow(Vm,2)*Tcrit_*pow((b_+Vm),2)*pow((b_-Vm),2)); /(pow(Vm,2)*pow(b_+Vm,2)*pow(b_-Vm,2));
} }
@ -304,10 +310,8 @@ inline scalar soaveRedlichKwong::d2pdvdT(const scalar rho, const scalar T) const
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; scalar Vm = this->W()/rho;
return a_*n_*(n_+1)*pow(T/Tcrit_,0.5)*log(b_+Vm)
/(2*b_*pow(T,2)) return d2adT2(T)*log(b_+Vm)/b_-d2adT2(T)*log(Vm)/b_;
-a_*n_*(n_+1)*pow(T/Tcrit_,0.5)*log(Vm)
/(2*b_*pow(T,2));
} }
@ -361,8 +365,9 @@ inline scalar soaveRedlichKwong::rho(
i++; i++;
if (i>8) if (i>8)
{ {
//using bisection methode as backup, //CL: using bisection methode as backup,
//solution must be between rho=0.001 to rho=1500; //CL: solution must be between rho=0.001 to rho=1500;
//CL: if not, change rhoMax_ and rhoMin_
for(i=0; i<200; i++) for(i=0; i<200; i++)
{ {
scalar f1 = this->p(rho1,T) - p; scalar f1 = this->p(rho1,T) - p;
@ -419,8 +424,7 @@ inline scalar soaveRedlichKwong::rho(
//- Return density [kg/m^3]on //- Return density [kg/m^3]on
inline scalar soaveRedlichKwong::rho(const scalar p,const scalar T) const inline scalar soaveRedlichKwong::rho(const scalar p,const scalar T) const
{ {
//CL: using perfect gas equation as starting point
//using perfect gas equation as starting point
return rho(p,T,p/(this->R()*T)); return rho(p,T,p/(this->R()*T));
} }
@ -435,19 +439,19 @@ inline scalar soaveRedlichKwong::psi(const scalar rho, const scalar T) const
//- Return compression factor [] //- 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->rho(p,T,rho0))/(this->R()*T); return p/(this->R()*T*this->rho(p,T,rho0));
} }
// * * * * * * * * * * * * * * * Member Operators * * * * * * * * * * * * * // // * * * * * * * * * * * * * * * Member Operators * * * * * * * * * * * * * //
/*
inline void soaveRedlichKwong::operator+=(const soaveRedlichKwong& pg) inline void soaveRedlichKwong::operator+=(const soaveRedlichKwong& srk)
{ {
specie::operator+=(pg); specie::operator+=(srk);
} }
inline void soaveRedlichKwong::operator-=(const soaveRedlichKwong& pg) inline void soaveRedlichKwong::operator-=(const soaveRedlichKwong& srk)
{ {
specie::operator-=(pg); specie::operator-=(srk);
} }
inline void soaveRedlichKwong::operator*=(const scalar s) inline void soaveRedlichKwong::operator*=(const scalar s)
@ -455,59 +459,31 @@ inline void soaveRedlichKwong::operator*=(const scalar s)
specie::operator*=(s); specie::operator*=(s);
} }
*/
// * * * * * * * * * * * * * * * Friend Operators * * * * * * * * * * * * * // // * * * * * * * * * * * * * * * Friend Operators * * * * * * * * * * * * * //
//**************** not working**************//
/*
inline soaveRedlichKwong operator+ inline soaveRedlichKwong operator+
( (
const soaveRedlichKwong& pg1, const soaveRedlichKwong& srk1,
const soaveRedlichKwong& pg2 const soaveRedlichKwong& srk2
) )
{ {
return soaveRedlichKwong return soaveRedlichKwong
( (
static_cast<const specie&>(pg1) static_cast<const specie&>(srk1)
+ static_cast<const specie&>(pg2) + static_cast<const specie&>(srk2)
); );
} }
inline soaveRedlichKwong operator-
(
const soaveRedlichKwong& pg1,
const soaveRedlichKwong& pg2
)
{
return soaveRedlichKwong
(
static_cast<const specie&>(pg1)
- static_cast<const specie&>(pg2)
);
}
inline soaveRedlichKwong operator* inline soaveRedlichKwong operator*
( (
const scalar s, const scalar s,
const soaveRedlichKwong& pg const soaveRedlichKwong& srk
) )
{ {
return soaveRedlichKwong(s*static_cast<const specie&>(pg)); return soaveRedlichKwong(s*static_cast<const specie&>(srk));
} }
inline soaveRedlichKwong operator==
(
const soaveRedlichKwong& pg1,
const soaveRedlichKwong& pg2
)
{
return pg2 - pg1;
}
*/
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
} // End namespace Foam } // End namespace Foam

9
src/thermophysicalModels/specie/thermo/nasaHeatCapacityPolynomial/nasaHeatCapacityPolynomial.C
View file

@ -28,7 +28,6 @@ Institut für Thermodynamik
Technische Universität Braunschweig Technische Universität Braunschweig
Germany Germany
\*---------------------------------------------------------------------------*/ \*---------------------------------------------------------------------------*/
#include "nasaHeatCapacityPolynomial.H" #include "nasaHeatCapacityPolynomial.H"
@ -65,12 +64,12 @@ template<class equationOfState>
Foam::Ostream& Foam::operator<< Foam::Ostream& Foam::operator<<
( (
Ostream& os, Ostream& os,
const nasaHeatCapacityPolynomial<equationOfState>& ct const nasaHeatCapacityPolynomial<equationOfState>& np
) )
{ {
os << static_cast<const equationOfState&>(ct) << tab os << static_cast<const equationOfState&>(np) << tab
<< ct.a1_ << tab<< ct.a2_ << tab << ct.a3_ << tab << ct.a4_ << tab << ct.a5_ << tab << ct.a6_ << tab << ct.a7_ ; << np.a1_ << tab<< np.a2_ << tab << np.a3_ << tab << np.a4_ << tab << np.a5_ << tab << np.a6_ << tab << np.a7_ ;
os.check("Ostream& operator<<(Ostream& os, const nasaHeatCapacityPolynomial& ct)"); os.check("Ostream& operator<<(Ostream& os, const nasaHeatCapacityPolynomial& np)");
return os; return os;
} }

164
src/thermophysicalModels/specie/thermo/nasaHeatCapacityPolynomial/nasaHeatCapacityPolynomialI.H
View file

@ -70,22 +70,22 @@ template<class equationOfState>
inline Foam::nasaHeatCapacityPolynomial<equationOfState>::nasaHeatCapacityPolynomial inline Foam::nasaHeatCapacityPolynomial<equationOfState>::nasaHeatCapacityPolynomial
( (
const word& name, const word& name,
const nasaHeatCapacityPolynomial& ct const nasaHeatCapacityPolynomial& np
) )
: :
equationOfState(name, ct), equationOfState(name, np),
a1_(ct.a1_), a1_(np.a1_),
a2_(ct.a2_), a2_(np.a2_),
a3_(ct.a3_), a3_(np.a3_),
a4_(ct.a4_), a4_(np.a4_),
a5_(ct.a5_), a5_(np.a5_),
a6_(ct.a6_), a6_(np.a6_),
a7_(ct.a7_), a7_(np.a7_),
e0_std(ct.e0_std), e0_std(np.e0_std),
s0_std(ct.s0_std), s0_std(np.s0_std),
integral_p_dv_std(ct.integral_p_dv_std), integral_p_dv_std(np.integral_p_dv_std),
integral_dpdT_dv_std(ct.integral_dpdT_dv_std), integral_dpdT_dv_std(np.integral_dpdT_dv_std),
cp_std(ct.cp_std) cp_std(np.cp_std)
{} {}
@ -316,47 +316,47 @@ inline Foam::scalar Foam::nasaHeatCapacityPolynomial<equationOfState>::s
template<class equationOfState> template<class equationOfState>
inline void Foam::nasaHeatCapacityPolynomial<equationOfState>::operator+= inline void Foam::nasaHeatCapacityPolynomial<equationOfState>::operator+=
( (
const nasaHeatCapacityPolynomial<equationOfState>& ct const nasaHeatCapacityPolynomial<equationOfState>& np
) )
{ {
scalar molr1 = this->nMoles(); scalar molr1 = this->nMoles();
equationOfState::operator+=(ct); equationOfState::operator+=(np);
molr1 /= this->nMoles(); molr1 /= this->nMoles();
scalar molr2 = ct.nMoles()/this->nMoles(); scalar molr2 = np.nMoles()/this->nMoles();
a1_ = molr1*a1_ + molr2*ct.a1_; a1_ = molr1*a1_ + molr2*np.a1_;
a2_ = molr1*a2_ + molr2*ct.a2_; a2_ = molr1*a2_ + molr2*np.a2_;
a3_ = molr1*a3_ + molr2*ct.a3_; a3_ = molr1*a3_ + molr2*np.a3_;
a4_ = molr1*a4_ + molr2*ct.a4_; a4_ = molr1*a4_ + molr2*np.a4_;
a5_ = molr1*a5_ + molr2*ct.a5_; a5_ = molr1*a5_ + molr2*np.a5_;
a6_ = molr1*a6_ + molr2*ct.a6_; a6_ = molr1*a6_ + molr2*np.a6_;
a7_ = molr1*a7_ + molr2*ct.a7_; a7_ = molr1*a7_ + molr2*np.a7_;
} }
template<class equationOfState> template<class equationOfState>
inline void Foam::nasaHeatCapacityPolynomial<equationOfState>::operator-= inline void Foam::nasaHeatCapacityPolynomial<equationOfState>::operator-=
( (
const nasaHeatCapacityPolynomial<equationOfState>& ct const nasaHeatCapacityPolynomial<equationOfState>& np
) )
{ {
scalar molr1 = this->nMoles(); scalar molr1 = this->nMoles();
nasaHeatCapacityPolynomial::operator-=(ct); nasaHeatCapacityPolynomial::operator-=(np);
molr1 /= this->nMoles(); molr1 /= this->nMoles();
scalar molr2 = ct.nMoles()/this->nMoles(); scalar molr2 = np.nMoles()/this->nMoles();
a1_ = molr1*a1_ - molr2*ct.a1_; a1_ = molr1*a1_ - molr2*np.a1_;
a2_ = molr1*a2_ - molr2*ct.a2_; a2_ = molr1*a2_ - molr2*np.a2_;
a3_ = molr1*a3_ - molr2*ct.a3_; a3_ = molr1*a3_ - molr2*np.a3_;
a4_ = molr1*a4_ - molr2*ct.a4_; a4_ = molr1*a4_ - molr2*np.a4_;
a5_ = molr1*a5_ - molr2*ct.a5_; a5_ = molr1*a5_ - molr2*np.a5_;
a6_ = molr1*a6_ - molr2*ct.a6_; a6_ = molr1*a6_ - molr2*np.a6_;
a7_ = molr1*a7_ - molr2*ct.a7_; a7_ = molr1*a7_ - molr2*np.a7_;
} }
@ -365,33 +365,33 @@ inline void Foam::nasaHeatCapacityPolynomial<equationOfState>::operator-=
template<class equationOfState> template<class equationOfState>
inline Foam::nasaHeatCapacityPolynomial<equationOfState> Foam::operator+ inline Foam::nasaHeatCapacityPolynomial<equationOfState> Foam::operator+
( (
const nasaHeatCapacityPolynomial<equationOfState>& ct1, const nasaHeatCapacityPolynomial<equationOfState>& np1,
const nasaHeatCapacityPolynomial<equationOfState>& ct2 const nasaHeatCapacityPolynomial<equationOfState>& np2
) )
{ {
equationOfState eofs equationOfState eofs
( (
static_cast<const equationOfState&>(ct1) static_cast<const equationOfState&>(np1)
+ static_cast<const equationOfState&>(ct2) + static_cast<const equationOfState&>(np2)
); );
return nasaHeatCapacityPolynomial<equationOfState> return nasaHeatCapacityPolynomial<equationOfState>
( (
eofs, eofs,
ct1.nMoles()/eofs.nMoles()*ct1.a1_ np1.nMoles()/eofs.nMoles()*np1.a1_
+ ct2.nMoles()/eofs.nMoles()*ct2.a1_, + np2.nMoles()/eofs.nMoles()*np2.a1_,
ct1.nMoles()/eofs.nMoles()*ct1.a2_ np1.nMoles()/eofs.nMoles()*np1.a2_
+ ct2.nMoles()/eofs.nMoles()*ct2.a2_, + np2.nMoles()/eofs.nMoles()*np2.a2_,
ct1.nMoles()/eofs.nMoles()*ct1.a3_ np1.nMoles()/eofs.nMoles()*np1.a3_
+ ct2.nMoles()/eofs.nMoles()*ct2.a3_, + np2.nMoles()/eofs.nMoles()*np2.a3_,
ct1.nMoles()/eofs.nMoles()*ct1.a4_ np1.nMoles()/eofs.nMoles()*np1.a4_
+ ct2.nMoles()/eofs.nMoles()*ct2.a4_, + np2.nMoles()/eofs.nMoles()*np2.a4_,
ct1.nMoles()/eofs.nMoles()*ct1.a5_ np1.nMoles()/eofs.nMoles()*np1.a5_
+ ct2.nMoles()/eofs.nMoles()*ct2.a5_, + np2.nMoles()/eofs.nMoles()*np2.a5_,
ct1.nMoles()/eofs.nMoles()*ct1.a6_ np1.nMoles()/eofs.nMoles()*np1.a6_
+ ct2.nMoles()/eofs.nMoles()*ct2.a6_, + np2.nMoles()/eofs.nMoles()*np2.a6_,
ct1.nMoles()/eofs.nMoles()*ct1.a7_ np1.nMoles()/eofs.nMoles()*np1.a7_
+ ct2.nMoles()/eofs.nMoles()*ct2.a7_ + np2.nMoles()/eofs.nMoles()*np2.a7_
); );
} }
@ -399,33 +399,33 @@ inline Foam::nasaHeatCapacityPolynomial<equationOfState> Foam::operator+
template<class equationOfState> template<class equationOfState>
inline Foam::nasaHeatCapacityPolynomial<equationOfState> Foam::operator- inline Foam::nasaHeatCapacityPolynomial<equationOfState> Foam::operator-
( (
const nasaHeatCapacityPolynomial<equationOfState>& ct1, const nasaHeatCapacityPolynomial<equationOfState>& np1,
const nasaHeatCapacityPolynomial<equationOfState>& ct2 const nasaHeatCapacityPolynomial<equationOfState>& np2
) )
{ {
equationOfState eofs equationOfState eofs
( (
static_cast<const equationOfState&>(ct1) static_cast<const equationOfState&>(np1)
- static_cast<const equationOfState&>(ct2) - static_cast<const equationOfState&>(np2)
); );
return nasaHeatCapacityPolynomial<equationOfState> return nasaHeatCapacityPolynomial<equationOfState>
( (
eofs, eofs,
ct1.nMoles()/eofs.nMoles()*ct1.a1_ np1.nMoles()/eofs.nMoles()*np1.a1_
- ct2.nMoles()/eofs.nMoles()*ct2.a1_, - np2.nMoles()/eofs.nMoles()*np2.a1_,
ct1.nMoles()/eofs.nMoles()*ct1.a2_ np1.nMoles()/eofs.nMoles()*np1.a2_
- ct2.nMoles()/eofs.nMoles()*ct2.a2_, - np2.nMoles()/eofs.nMoles()*np2.a2_,
ct1.nMoles()/eofs.nMoles()*ct1.a3_ np1.nMoles()/eofs.nMoles()*np1.a3_
- ct2.nMoles()/eofs.nMoles()*ct2.a3_, - np2.nMoles()/eofs.nMoles()*np2.a3_,
ct1.nMoles()/eofs.nMoles()*ct1.a4_ np1.nMoles()/eofs.nMoles()*np1.a4_
- ct2.nMoles()/eofs.nMoles()*ct2.a4_, - np2.nMoles()/eofs.nMoles()*np2.a4_,
ct1.nMoles()/eofs.nMoles()*ct1.a5_ np1.nMoles()/eofs.nMoles()*np1.a5_
- ct2.nMoles()/eofs.nMoles()*ct2.a5_, - np2.nMoles()/eofs.nMoles()*np2.a5_,
ct1.nMoles()/eofs.nMoles()*ct1.a6_ np1.nMoles()/eofs.nMoles()*np1.a6_
- ct2.nMoles()/eofs.nMoles()*ct2.a6_, - np2.nMoles()/eofs.nMoles()*np2.a6_,
ct1.nMoles()/eofs.nMoles()*ct1.a7_ np1.nMoles()/eofs.nMoles()*np1.a7_
- ct2.nMoles()/eofs.nMoles()*ct2.a7_ - np2.nMoles()/eofs.nMoles()*np2.a7_
); );
} }
@ -434,19 +434,19 @@ template<class equationOfState>
inline Foam::nasaHeatCapacityPolynomial<equationOfState> Foam::operator* inline Foam::nasaHeatCapacityPolynomial<equationOfState> Foam::operator*
( (
const scalar s, const scalar s,
const nasaHeatCapacityPolynomial<equationOfState>& ct const nasaHeatCapacityPolynomial<equationOfState>& np
) )
{ {
return nasaHeatCapacityPolynomial<equationOfState> return nasaHeatCapacityPolynomial<equationOfState>
( (
s*static_cast<const equationOfState&>(ct), s*static_cast<const equationOfState&>(np),
ct.a1_, np.a1_,
ct.a2_, np.a2_,
ct.a3_, np.a3_,
ct.a4_, np.a4_,
ct.a5_, np.a5_,
ct.a6_, np.a6_,
ct.a7_ np.a7_
); );
} }
@ -454,11 +454,11 @@ inline Foam::nasaHeatCapacityPolynomial<equationOfState> Foam::operator*
template<class equationOfState> template<class equationOfState>
inline Foam::nasaHeatCapacityPolynomial<equationOfState> Foam::operator== inline Foam::nasaHeatCapacityPolynomial<equationOfState> Foam::operator==
( (
const nasaHeatCapacityPolynomial<equationOfState>& ct1, const nasaHeatCapacityPolynomial<equationOfState>& np1,
const nasaHeatCapacityPolynomial<equationOfState>& ct2 const nasaHeatCapacityPolynomial<equationOfState>& np2
) )
{ {
return ct2 - ct1; return np2 - np1;
} }

6
src/thermophysicalModels/specie/thermo/realGasSpecieThermo/realGasSpecieThermoI.H
View file

@ -76,7 +76,7 @@ inline void Foam::realGasSpecieThermo<thermo>::T
do do
{ {
//CL: using a stabilizing newton solver //CL: using a stabilizing newton solver
//CL: if the solve is diverging, the time step is reduced until the solver converges //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++; i++;
}while }while
@ -139,14 +139,14 @@ inline Foam::scalar Foam::realGasSpecieThermo<thermo>::gamma(const scalar rho,
template<class thermo> template<class thermo>
inline Foam::scalar Foam::realGasSpecieThermo<thermo>::g(const scalar rho, const scalar T ) const inline Foam::scalar Foam::realGasSpecieThermo<thermo>::g(const scalar rho, const scalar T ) const
{ {
return this->h(rho, this->p(rho,T)) - T*this->s(rho, this->p(rho,T)); return this->h(rho, T) - T*this->s(rho, T);
} }
template<class thermo> template<class thermo>
inline Foam::scalar Foam::realGasSpecieThermo<thermo>::a(const scalar rho, const scalar T ) const inline Foam::scalar Foam::realGasSpecieThermo<thermo>::a(const scalar rho, const scalar T ) const
{ {
return this->e(rho,this->p(rho,T)) - T*this->s(rho,this->p(rho,T)); return this->e(rho,T ) - T*this->s(rho, T);
} }