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Merged Christian's update

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This commit is contained in:
Henrik Rusche 2016-06-06 14:10:12 +02:00
commit 2477805d86
121 changed files with 4601 additions and 4261 deletions
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4
applications/solvers/compressible/realFluidPisoFoam/createFields.H
View file

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

99
applications/solvers/compressible/realFluidPisoFoam/pEqn.H
View file

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

10
applications/solvers/compressible/realFluidPisoFoam/realFluidPisoFoam.C
View file

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

15
src/thermophysicalModels/basic/IAPWS_Waterproperties/IAPWSThermo/IAPWS-IF97.C
View file

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

1
src/thermophysicalModels/basic/IAPWS_Waterproperties/IAPWSThermo/IAPWS-IF97.H
View file

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

2
src/thermophysicalModels/basic/IAPWS_Waterproperties/IAPWSThermo/IAPWSThermo.C
View file

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

1
src/thermophysicalModels/basic/IAPWS_Waterproperties/IAPWSThermo/IAPWSThermo.H
View file

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

20
src/thermophysicalModels/basic/IAPWS_Waterproperties/IAPWSThermo/IAPWSThermos.C
View file

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

93
src/thermophysicalModels/basic/mixtures/basicMixture/basicMixtures.C
View file

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

11
src/thermophysicalModels/basic/mixtures/basicMixture/makeBasicMixture.H
View file

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

7
src/thermophysicalModels/basic/psiThermo/basicPsiThermo/basicPsiThermo.C
View file

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

2
src/thermophysicalModels/basic/psiThermo/basicPsiThermo/makeBasicPsiThermo.H
View file

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

6
src/thermophysicalModels/basic/psiThermo/realGasEThermo/realGasEThermo.C
View file

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

88
src/thermophysicalModels/basic/psiThermo/realGasEThermo/realGasEThermos.C
View file

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

7
src/thermophysicalModels/basic/psiThermo/realGasHThermo/realGasHThermo.C
View file

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

91
src/thermophysicalModels/basic/psiThermo/realGasHThermo/realGasHThermos.C
View file

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

13
src/thermophysicalModels/specie/Make/files
View file

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

77
src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/aungierRedlichKwong/aungierRedlichKwong.C
View file

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

125
src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/aungierRedlichKwong/aungierRedlichKwong.H
View file

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

272
src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/aungierRedlichKwong/aungierRedlichKwongI.H
View file

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

11
src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/README
View file

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

87
src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureAungierRedlichKwong/mixtureAungierRedlichKwong.C
View file

@ -1,87 +0,0 @@
/*---------------------------------------------------------------------------*\
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration |
\\ / A nd | Copyright held by original author
\\/ M anipulation |
-------------------------------------------------------------------------------
License
This file is part of OpenFOAM.
OpenFOAM is free software; you can redistribute it and/or modify it
under the terms of the GNU General Public License as published by the
Free Software Foundation; either version 2 of the License, or (at your
option) any later version.
OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
for more details.
You should have received a copy of the GNU General Public License
along with OpenFOAM; if not, write to the Free Software Foundation,
Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
Description
Mixture Aungier Redlich Kwong equation of state.
Author
Christian Lucas
Institut für Thermodynamik
Technische Universität Braunschweig
Germany
\*---------------------------------------------------------------------------*/
#include "mixtureAungierRedlichKwong.H"
#include "IOstreams.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
namespace Foam
{
// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
mixtureAungierRedlichKwong::mixtureAungierRedlichKwong(Istream& is)
:
aungierRedlichKwong(is),
Vcrit_(this->W()/rhocrit_),
Zcrit_(pcrit_/((this->R()*Tcrit_*rhocrit_)))
{
is.check("mixtureAungierRedlichKwong::mixtureAungierRedlichKwong(Istream& is)");
}
//CL: Constructed needed in OpenFOAM 2.x.x
//CL: Code works fine, but compiling problem in OpenFOAM 1.6.ext
//CL: because specie has no constructor using dict
/*
mixtureAungierRedlichKwong::mixtureAungierRedlichKwong(const dictionary& dict)
:
aungierRedlichKwong(dict),
Vcrit_(this->W()/rhocrit_),
Zcrit_(pcrit_/((this->R()*Tcrit_*rhocrit_)))
{}
// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
void Foam::mixtureAungierRedlichKwong::write(Ostream& os) const
{
aungierRedlichKwong::write(os);
}
*/
// * * * * * * * * * * * * * * * Ostream Operator * * * * * * * * * * * * * //
Ostream& operator<<(Ostream& os, const mixtureAungierRedlichKwong& ark)
{
os << static_cast<const specie&>(ark)<< token::SPACE;
os.check("Ostream& operator<<(Ostream& os, const mixtureAungierRedlichKwong& st)");
return os;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
} // End namespace Foam
// ************************************************************************* //

164
src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureAungierRedlichKwong/mixtureAungierRedlichKwong.H
View file

@ -1,164 +0,0 @@
/*---------------------------------------------------------------------------*\
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration |
\\ / A nd | Copyright held by original author
\\/ M anipulation |
-------------------------------------------------------------------------------
License
This file is part of OpenFOAM.
OpenFOAM is free software; you can redistribute it and/or modify it
under the terms of the GNU General Public License as published by the
Free Software Foundation; either version 2 of the License, or (at your
option) any later version.
OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
for more details.
You should have received a copy of the GNU General Public License
along with OpenFOAM; if not, write to the Free Software Foundation,
Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
Class
Foam::mixtureAungierRedlichKwong
Description
Mixture Aungier Redlich Kwong equation of state.
Mixture based on a pseudo critical point approach.
For further information, see:
BOOK Title: The Properties of Gases And Liquids, Fifth Edition, McGraw-Hill, Chapter 5
Authors: B. Poling; J. Prausnitz; J. O'Connell
SourceFiles
mixtureAungierRedlichKwongI.H
mixtureAungierRedlichKwong.C
Author
Christian Lucas
Institut für Thermodynamik
Technische Universität Braunschweig
Germany
\*---------------------------------------------------------------------------*/
#ifndef mixtureAungierRedlichKwong_H
#define mixtureAungierRedlichKwong_H
#include "specie.H"
#include "aungierRedlichKwong.H"
#include "autoPtr.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
namespace Foam
{
/*---------------------------------------------------------------------------*\
Class mixtureAungierRedlichKwong Declaration
\*---------------------------------------------------------------------------*/
class mixtureAungierRedlichKwong
:
public aungierRedlichKwong
{
protected:
// data at the critical point
scalar Zcrit_;
//CL. molar volume at the critical point
scalar Vcrit_;
//CL: save the concentrations of each component of the mixture
//CL: needs to be multiplied by this->W() to get the molar fractions
//mutable DynamicList<scalar> weigths;
//CL: saves a pointer to the pure component classes of the mixture
// mutable DynamicList<mixtureAungierRedlichKwong*> mixtureComponents;
public:
// Constructors
//- Construct from components
inline mixtureAungierRedlichKwong
(
const aungierRedlichKwong& sp,
scalar Tcrit,
scalar azentricFactor,
scalar Vcrit,
scalar Zcrit,
scalar rhoMin,
scalar rhoMax
);
//- Construct from Istream
mixtureAungierRedlichKwong(Istream&);
//- Construct from dictionary
//mixtureAungierRedlichKwong(const dictionary& dict);
//- Construct as named copy
inline mixtureAungierRedlichKwong(const word& name, const mixtureAungierRedlichKwong&);
//- Construct and return a clone
inline autoPtr<mixtureAungierRedlichKwong> clone() const;
// Selector from Istream
inline static autoPtr<mixtureAungierRedlichKwong> New(Istream& is);
// Member functions
// I-O
//- Write to Ostream
//void write(Ostream& os) const;
// Member operators
inline void operator+=(const mixtureAungierRedlichKwong&);
// Friend operators
inline friend mixtureAungierRedlichKwong operator+
(
const mixtureAungierRedlichKwong&,
const mixtureAungierRedlichKwong&
);
inline friend mixtureAungierRedlichKwong operator*
(
const scalar s,
const mixtureAungierRedlichKwong&
);
// Ostream Operator
friend Ostream& operator<<(Ostream&, const mixtureAungierRedlichKwong&);
};
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
} // End namespace Foam
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#include "mixtureAungierRedlichKwongI.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#endif
// ************************************************************************* //

212
src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureAungierRedlichKwong/mixtureAungierRedlichKwongI.H
View file

@ -1,212 +0,0 @@
/*---------------------------------------------------------------------------*\
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration |
\\ / A nd | Copyright held by original author
\\/ M anipulation |
-------------------------------------------------------------------------------
License
This file is part of OpenFOAM.
OpenFOAM is free software; you can redistribute it and/or modify it
under the terms of the GNU General Public License as published by the
Free Software Foundation; either version 2 of the License, or (at your
option) any later version.
OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
for more details.
You should have received a copy of the GNU General Public License
along with OpenFOAM; if not, write to the Free Software Foundation,
Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
Author
Christian Lucas
Institut für Thermodynamik
Technische Universität Braunschweig
Germany
\*---------------------------------------------------------------------------*/
#include "mixtureAungierRedlichKwong.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
namespace Foam
{
// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
// Construct from components
inline mixtureAungierRedlichKwong::mixtureAungierRedlichKwong
(
const aungierRedlichKwong& sp,
scalar Tcrit,
scalar azentricFactor,
scalar Vcrit,
scalar Zcrit,
scalar rhoMin,
scalar rhoMax
)
:
aungierRedlichKwong(sp),
Vcrit_(Vcrit),
Zcrit_(Zcrit)
{
//CL: Saving critical data
Tcrit_=Tcrit;
pcrit_=Zcrit*this->RR*Tcrit/Vcrit;
rhocrit_=this->W()/Vcrit_;
azentricFactor_=azentricFactor;
//CL: calculating the aungier redlich kwong coefficience
a0_=0.42747*pow(this->RR,2)*pow(Tcrit_,2)/pcrit_;
b_=0.08664*this->RR*Tcrit_/pcrit_;
c_=this->RR*Tcrit_/(pcrit_+(a0_/(this->W()/rhocrit_*(this->W()/rhocrit_+b_))))+b_-this->W()/rhocrit_;
n_=0.4986+1.2735*azentricFactor_+0.4754*pow(azentricFactor_,2);
//CL: set rhoMax and rhoMin
rhoMin_=rhoMin;
rhoMax_=rhoMax;
//CL:
b2_=pow(b_,2);
b3_=pow(b_,3);
b4_=pow(b_,4);
b5_=pow(b_,5);
c2_=pow(c_,2);
//CL: Starting GUESS for the density by ideal gas law
rhostd_=this->rho(Pstd,Tstd,Pstd/(Tstd*this->R()));
}
// Construct as named copy
inline mixtureAungierRedlichKwong::mixtureAungierRedlichKwong(const word& name, const mixtureAungierRedlichKwong& pg)
:
aungierRedlichKwong(name, pg),
Vcrit_(pg.Vcrit_),
Zcrit_(pg.Zcrit_)
{}
// Construct and return a clone
inline autoPtr<mixtureAungierRedlichKwong> mixtureAungierRedlichKwong::clone() const
{
return autoPtr<mixtureAungierRedlichKwong>(new mixtureAungierRedlichKwong(*this));
}
// Selector from Istream
inline autoPtr<mixtureAungierRedlichKwong> mixtureAungierRedlichKwong::New(Istream& is)
{
return autoPtr<mixtureAungierRedlichKwong>(new mixtureAungierRedlichKwong(is));
}
// * * * * * * * * * * * * * * * Member Operators * * * * * * * * * * * * * //
inline void mixtureAungierRedlichKwong::operator+=(const mixtureAungierRedlichKwong& pr)
{
scalar molr1 = this->nMoles();
aungierRedlichKwong::operator+=(pr);
molr1 /= this->nMoles();
scalar molr2 = pr.nMoles()/this->nMoles();
//CL: calculating new critical point data
Tcrit_=molr1*Tcrit_+molr2*pr.Tcrit_;
Zcrit_=molr1*Zcrit_+molr2*pr.Zcrit_;
Vcrit_=molr1*Vcrit_+molr2*pr.Vcrit_;
pcrit_=Zcrit_*this->RR*Tcrit_/Vcrit_;
rhocrit_=this->W()/Vcrit_;
//CL: calculating new azentric factor
azentricFactor_=molr1*azentricFactor_+molr2*pr.azentricFactor_;
//CL: set rhoMax and rhoMin
rhoMin_=min(rhoMin_, pr.rhoMin_);
rhoMax_=max(rhoMax_, pr.rhoMax_);
//CL: calculating the aungier redlich kwong coefficience
a0_=0.42747*pow(this->RR,2)*pow(Tcrit_,2)/pcrit_;
b_=0.08664*this->RR*Tcrit_/pcrit_;
c_=this->RR*Tcrit_/(pcrit_+(a0_/(this->W()/rhocrit_*(this->W()/rhocrit_+b_))))+b_-this->W()/rhocrit_;
n_=0.4986+1.2735*azentricFactor_+0.4754*pow(azentricFactor_,2);
//CL:
b2_=pow(b_,2);
b3_=pow(b_,3);
b4_=pow(b_,4);
b5_=pow(b_,5);
c2_=pow(c_,2);
//CL: Starting GUESS for the density by ideal gas law
rhostd_=this->rho(Pstd,Tstd,Pstd/(Tstd*this->R()));
}
// * * * * * * * * * * * * * * * Friend Operators * * * * * * * * * * * * * //
inline mixtureAungierRedlichKwong operator+
(
const mixtureAungierRedlichKwong& pr1,
const mixtureAungierRedlichKwong& pr2
)
{
aungierRedlichKwong ark
(
static_cast<const aungierRedlichKwong&>(pr1)
+static_cast<const aungierRedlichKwong&>(pr2)
);
return mixtureAungierRedlichKwong
(
ark,
pr1.nMoles()/ark.nMoles()*pr1.Tcrit_
+pr2.nMoles()/ark.nMoles()*pr2.Tcrit_,
pr1.nMoles()/ark.nMoles()*pr1.azentricFactor_
+pr2.nMoles()/ark.nMoles()*pr2.azentricFactor_,
pr1.nMoles()/ark.nMoles()*pr1.Vcrit_
+pr2.nMoles()/ark.nMoles()*pr2.Vcrit_,
pr1.nMoles()/ark.nMoles()*pr1.Zcrit_
+pr2.nMoles()/ark.nMoles()*pr2.Zcrit_,
min(pr1.rhoMin_,pr2.rhoMin_),
max(pr1.rhoMax_,pr2.rhoMax_)
);
}
inline mixtureAungierRedlichKwong operator*
(
const scalar s,
const mixtureAungierRedlichKwong& pr
)
{
return mixtureAungierRedlichKwong
(
s*static_cast<const aungierRedlichKwong&>(pr),
pr.Tcrit_,
pr.azentricFactor_,
pr.Vcrit_,
pr.Zcrit_,
pr.rhoMin_,
pr.rhoMax_
);
}
} // End namespace Foam
// ************************************************************************* //

157
src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixturePengRobinson/mixturePengRobinson.C
View file

@ -1,157 +0,0 @@
/*---------------------------------------------------------------------------*\
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration |
\\ / A nd | Copyright held by original author
\\/ M anipulation |
-------------------------------------------------------------------------------
License
This file is part of OpenFOAM.
OpenFOAM is free software; you can redistribute it and/or modify it
under the terms of the GNU General Public License as published by the
Free Software Foundation; either version 2 of the License, or (at your
option) any later version.
OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
for more details.
You should have received a copy of the GNU General Public License
along with OpenFOAM; if not, write to the Free Software Foundation,
Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
Description
Peng Robionson equation of state for mixtures.
Author
Christian Lucas
Institut für Thermodynamik
Technische Universität Braunschweig
Germany
\*---------------------------------------------------------------------------*/
#include "mixturePengRobinson.H"
#include "IOstreams.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
namespace Foam
{
// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
mixturePengRobinson::mixturePengRobinson(Istream& is)
:
pengRobinson(is),
singleComponent(1),
numOfComp(1),
//CL: no real gas mixture correction when stream constructor is used
realMixtureCorr_(false)
{
//CL: set size of weigths, mixtureComponents ... to 10,
//CL: when more mixture components are used
//CL: size of the DynamicLis increases automatically
weigths.setSize(10);
mixtureComponents.setSize(10);
//Save a pointer of this object in the mixtureComponents array
mixtureComponents[0]=this;
is.check("mixturePengRobinson::mixturePengRobinson(Istream& is)");
}
//CL: Constructed needed in OpenFOAM 2.x.x
//CL: Code works fine, but compiling problem in OpenFOAM 1.6.ext
//CL: because specie has no constructor using dict
/*
mixturePengRobinson::mixturePengRobinson(const dictionary& dict)
:
pengRobinson(dict),
numOfComp(1),
singleComponent(1),
realMixtureCorr_(dict.subDict("equationOfState").lookupOrDefault("realMixtureCorrection",false))
{
//CL: set size of weigths, mixtureComponents ... to 10,
//CL: when more mixture components are used
//CL: size of the DynamicLis increases automatically
weigths.setSize(10);
mixtureComponents.setSize(10);
//Save a pointer of this object in the mixtureComponents array
mixtureComponents[0]=this;
if(realMixtureCorr_==true)
{
//CL: reads number of mixture components
//CL: this number is needed to calculate the number of correction coefficients
nCom_=dict.subDict("equationOfState").lookupOrDefault("numberOfComponents",1);
if (nCom_<1||nCom_==1)
{
FatalErrorIn
(
"mixturePengRobinson::mixturePengRobinson(const dictionary& dict)"
) << "mixture has only one component or number is not defined correctly, "
<< "recheck numberOfComponents in the thermophysicalProperties dict of your case"
<< abort(FatalError);
}
label i;
label j;
label k=0;
// CL: saves the number of mixtureCorrectionCoefficients needed for this mixture
// CL: need to be set to 1
label sizeOfVector_=1;
//CL: size of the vector depends on the number of components
//CL: determine the size of the vector
for (i=3; i<=nCom_;i++)
{
sizeOfVector_=sizeOfVector_+(i-1);
}
//CL: setting the size
realMixtureCorrCoef_.setSize(sizeOfVector_);
//CL: Reading the real mixture correction coefficients
//CL: Naming convention e.g for 3 component mixture:
//CL: mixtureCorrectionCoefficient_12, mixtureCorrectionCoefficient_13, mixtureCorrectionCoefficient_23
for(i=1;i<=nCom_-1;i++)
{
for(j=i+1;j<=nCom_;j++)
{
realMixtureCorrCoef_[k]=dict.subDict("equationOfState")
.lookupOrDefault("mixtureCorrectionCoefficient_" + Foam::name(i) + Foam::name(j),0.0);
k++;
}
}
}
}
// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
void Foam::mixturePengRobinson::write(Ostream& os) const
{
pengRobinson::write(os);
}
*/
// * * * * * * * * * * * * * * * Ostream Operator * * * * * * * * * * * * * //
Ostream& operator<<(Ostream& os, const mixturePengRobinson& pr)
{
os << static_cast<const pengRobinson&>(pr)<< token::SPACE ;
os.check("Ostream& operator<<(Ostream& os, const mixturePengRobinson& st)");
return os;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
} // End namespace Foam
// ************************************************************************* //

274
src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixturePengRobinson/mixturePengRobinson.H
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@ -1,274 +0,0 @@
/*---------------------------------------------------------------------------*\
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration |
\\ / A nd | Copyright held by original author
\\/ M anipulation |
-------------------------------------------------------------------------------
License
This file is part of OpenFOAM.
OpenFOAM is free software; you can redistribute it and/or modify it
under the terms of the GNU General Public License as published by the
Free Software Foundation; either version 2 of the License, or (at your
option) any later version.
OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
for more details.
You should have received a copy of the GNU General Public License
along with OpenFOAM; if not, write to the Free Software Foundation,
Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
Class
Foam::mixturePengRobinson
Description
Peng Robinson equation of state for multiple component mixtures using the van der Waals mixing rule
Mixing Rule --> see Paper
Title: Van der waals mixing rules for cublic equations of state. Applications for supercritical fluids extraction modelling
Authors: T.Y. Kwak and G.A. Mansoori
Journal: Chemical Engineering Science, Vol 41, No. 5, pp. 1303-1309, 1986
SourceFiles
mixturePengRobinsonI.H
mixturePengRobinson.C
Author
Christian Lucas
Institut für Thermodynamik
Technische Universität Braunschweig
Germany
\*---------------------------------------------------------------------------*/
#ifndef mixturePengRobinson_H
#define mixturePengRobinson_H
#include "specie.H"
#include "autoPtr.H"
#include "pengRobinson.H"
#include "scalarList.H"
#include "DynamicList.H"
#include "label.H"
#include "List.H"
#include "dictionary.H"
#include "scalar.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
namespace Foam
{
/*---------------------------------------------------------------------------*\
Class mixturePengRobinson Declaration
\*---------------------------------------------------------------------------*/
class mixturePengRobinson
:
public pengRobinson
{
protected:
//CL: bool used to make sure the model behaves like a single component model when needed
//CL: this is needed during the construction of the mixture
mutable bool singleComponent;
//CL: save the concentrations of each component of the mixture
//CL: needs to be multiplied by this->W() to get the molar fractions
mutable DynamicList<scalar> weigths;
//CL: saves a pointer to the pure component classes of the mixture
mutable DynamicList<mixturePengRobinson*> mixtureComponents;
//CL: counts the number of components
mutable label numOfComp;
//Protected functions
//CL: function updates the coefficients (aSave, daSave, d2aSave, b) of the mixture
//CL: this is the function with the mixing rule
inline void updateModelCoefficients(const scalar T) const;
//CL: Variables used in real gas mixture correction
//CL: If true, the real gas mixture correction is used
mutable bool realMixtureCorr_;
//CL: number of mixture components, needed to calculate the mixture correction factors needed
//CL: do not mistake this variable with numOfComp,
//CL: numOfComp is a counter to counts the number of components while the mixture is constructed
mutable label nCom_;
//CL: stores real mixture correction coefficients
mutable DynamicList<scalar> realMixtureCorrCoef_;
public:
// Constructors
//- Construct from components
//CL: needed for operator*
inline mixturePengRobinson
(
const pengRobinson& pr,
label numOfComp,
DynamicList<scalar> weigths,
DynamicList<mixturePengRobinson*> mixtureComponents,
scalar a0,
scalar b,
scalar Tcrit,
scalar n,
scalar rhostd,
scalar rhoMin,
scalar rhoMax
);
//- Construct from components
//CL: needed for operator+
inline mixturePengRobinson
(
const pengRobinson& pr,
label numOfComp,
DynamicList<scalar> weigths,
DynamicList<mixturePengRobinson*> mixtureComponents,
scalar rhoMin,
scalar rhoMax
);
//- Construct from Istream
mixturePengRobinson(Istream&);
//- Construct from dictionary
//mixturePengRobinson(const dictionary& dict);
//- Construct as named copy
inline mixturePengRobinson(const word& name, const mixturePengRobinson&);
//- Construct and return a clone
inline autoPtr<mixturePengRobinson> clone() const;
// Selector from Istream
inline static autoPtr<mixturePengRobinson> New(Istream& is);
// Member functions
//CL: mixture coefficience
inline scalar amix(const scalar T, const label i, const label j) const;
inline scalar dadTmix(const scalar T, const label i, const label j) const;
inline scalar d2adT2mix(const scalar T, const label i, const label j) const;
inline scalar p(const scalar rho, const scalar T) const;
//first order derivatives
inline scalar dpdv(const scalar rho, const scalar T) const;
inline scalar dpdT(const scalar rho, const scalar T) const;
inline scalar dvdT(const scalar rho, const scalar T) const;
inline scalar dvdp(const scalar rho, const scalar T) const;
inline scalar isobarExpCoef(const scalar rho, const scalar T) const;
inline scalar isothermalCompressiblity
(
const scalar rho,
const scalar T
) const;
// Used for cv
inline scalar integral_d2pdT2_dv
(
const scalar rho,
const scalar T
) const;
//Used for internal Energy
inline scalar integral_p_dv(const scalar rho, const scalar T) const;
// Used for Entropy
inline scalar integral_dpdT_dv(const scalar rho, const scalar T) const;
// second order derivatives, not Used At The Moment
inline scalar d2pdv2(const scalar rho, const scalar T) const;
inline scalar d2pdT2(const scalar rho, const scalar T) const;
inline scalar d2pdvdT(const scalar rho, const scalar T) const;
inline scalar d2vdT2(const scalar rho, const scalar T) const;
//- Return density [kg/m^3]
// rho0 is the starting point of the newton solver used to calculate rho
inline scalar rho
(
const scalar p,
const scalar T,
const scalar rho0
) const;
inline scalar rho(const scalar p, const scalar T) const;
//- Return compressibility drho/dp at T=constant [s^2/m^2]
inline scalar psi(const scalar rho, const scalar T) const;
//- Return compression factor []
inline scalar Z
(
const scalar p,
const scalar T,
const scalar rho0
) const;
// I-O
//- Write to Ostream
//void write(Ostream& os) const;
// Member operators
inline void operator+=(const mixturePengRobinson&);
// Friend operators
inline friend mixturePengRobinson operator+
(
const mixturePengRobinson&,
const mixturePengRobinson&
);
inline friend mixturePengRobinson operator*
(
const scalar s,
const mixturePengRobinson&
);
// Ostream Operator
friend Ostream& operator<<(Ostream&, const mixturePengRobinson&);
};
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
} // End namespace Foam
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#include "mixturePengRobinsonI.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#endif
// ************************************************************************* //

497
src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixturePengRobinson/mixturePengRobinsonI.H
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@ -1,497 +0,0 @@
/*---------------------------------------------------------------------------*\
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration |
\\ / A nd | Copyright held by original author
\\/ M anipulation |
-------------------------------------------------------------------------------
License
This file is part of OpenFOAM.
OpenFOAM is free software; you can redistribute it and/or modify it
under the terms of the GNU General Public License as published by the
Free Software Foundation; either version 2 of the License, or (at your
option) any later version.
OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
for more details.
You should have received a copy of the GNU General Public License
along with OpenFOAM; if not, write to the Free Software Foundation,
Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
Author
Christian Lucas
Institut für Thermodynamik
Technische Universität Braunschweig
Germany
\*---------------------------------------------------------------------------*/
#include "mixturePengRobinson.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
namespace Foam
{
// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
// Construct from components
// CL: needed for operator*
inline mixturePengRobinson::mixturePengRobinson
(
const pengRobinson& pr,
label numOfComp,
DynamicList<scalar> weigths,
DynamicList<mixturePengRobinson*> mixtureComponents,
scalar a0,
scalar b,
scalar Tcrit,
scalar n,
scalar rhostd,
scalar rhoMin,
scalar rhoMax
)
:
pengRobinson(pr),
singleComponent(1),
weigths(weigths),
mixtureComponents(mixtureComponents),
numOfComp(numOfComp)
{
a0_=a0;
b_=b;
Tcrit_=Tcrit;
n_=n;
rhostd_=rhostd;
rhoMin_=rhoMin;
rhoMax_=rhoMax;
}
// Construct from components
// CL: needed for operator+
inline mixturePengRobinson::mixturePengRobinson
(
const pengRobinson& pr,
label numOfComp,
DynamicList<scalar> weigths,
DynamicList<mixturePengRobinson*> mixtureComponents,
scalar rhoMin,
scalar rhoMax
)
:
pengRobinson(pr),
singleComponent(0),
weigths(weigths),
mixtureComponents(mixtureComponents),
numOfComp(numOfComp)
{
TSave=0.0;
rhoMin_=rhoMin;
rhoMax_=rhoMax;
rhostd_=this->rho(this->Pstd(), this->Tstd(), this->Pstd()*this->W()/(this->Tstd()*this->R()));
}
// Construct as named copy
inline mixturePengRobinson::mixturePengRobinson(const word& name, const mixturePengRobinson& pr)
:
pengRobinson(name, pr)
{}
// Construct and return a clone
inline autoPtr<mixturePengRobinson> mixturePengRobinson::clone() const
{
return autoPtr<mixturePengRobinson>(new mixturePengRobinson(*this));
}
// Selector from Istream
inline autoPtr<mixturePengRobinson> mixturePengRobinson::New(Istream& is)
{
return autoPtr<mixturePengRobinson>(new mixturePengRobinson(is));
}
// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
//CL: updates the coefficents of the model after the construction of the mixture
//CL: uses the van der waals mixing rule
inline void mixturePengRobinson::updateModelCoefficients(const scalar T) const
{
// CL: to make sure that the coefficents are only updated if the mixture has more than 1 component
if (singleComponent==0)
{
// Checking if the mixture coefficient were already calculated for this temperature
if(TSave!=T)
{
label i,j,k;
aSave=0;
daSave=0;
d2aSave=0;
b_=0;
for (i=0;i<numOfComp;i++)
{
//CL: getting a(T), dadT(T) and d2adT2(T) for the mixture
//CL: using van der waals mixing rule
for (j=0;j<numOfComp;j++)
{
//CL: use mixture correction cofficients k_ij (see paper reference)
if(mixtureComponents[0]->realMixtureCorr_==true)
{
// first and second order temperature derivative of the van der waals mixing rule for a(T)
if(i==j)
{
aSave=aSave+amix(T,i,j);
daSave=daSave+dadTmix(T,i,j);
d2aSave=d2aSave+d2adT2mix(T,i,j);
}
else
{
//CL: gives the position of the correction factor in the vector realMixtureCorrCoef_
k=i+j-1;
aSave=aSave+amix(T,i,j)*(1-mixtureComponents[0]->realMixtureCorrCoef_[k]);
daSave=daSave+dadTmix(T,i,j)*(1-mixtureComponents[0]->realMixtureCorrCoef_[k]);
d2aSave=d2aSave+d2adT2mix(T,i,j)*(1-mixtureComponents[0]->realMixtureCorrCoef_[k]);
}
}
else
{
aSave=aSave+amix(T,i,j);
daSave=daSave+dadTmix(T,i,j);
d2aSave=d2aSave+d2adT2mix(T,i,j);
}
}
//CL: getting b for the mixture
//CL: using van der waals mixing rule
b_=b_+weigths[i]*mixtureComponents[i]->b()*this->W();
//CL: saving the temperature at which the mixture coefficients are valid
TSave=T;
}
b2_=b_*b_;
b3_=pow(b_,3);
b4_=pow(b_,4);
b5_=pow(b_,5);
}
}
}
//CL: returns part of "a" for the mixture
//CL: Important: a is a function of T
//CL: TODO: RECHECK
inline scalar mixturePengRobinson::amix(const scalar T, const label i, const label j) const
{
return weigths[i]*weigths[j]*this->W()*this->W()*
pow(mixtureComponents[i]->a(T)*mixtureComponents[j]->a(T),0.5);
}
//CL: returns part of the first derivative of "a" for the mixture
//CL: Important: a is a function of T
//CL: TODO: RECHECK
inline scalar mixturePengRobinson::dadTmix(const scalar T, const label i, const label j) const
{
return 0.5*weigths[i]*weigths[j]*this->W()*this->W()
*(pow(mixtureComponents[i]->a(T)/mixtureComponents[j]->a(T),0.5)*mixtureComponents[j]->dadT(T)
+pow(mixtureComponents[j]->a(T)/mixtureComponents[i]->a(T),0.5)*mixtureComponents[i]->dadT(T));
}
//CL: returns part of the second derivative of "a" for the mixture
//CL: Important: a is a function of T
//CL: TODO: RECHECK
inline scalar mixturePengRobinson::d2adT2mix(const scalar T, const label i, const label j) const
{
return 0.5*weigths[i]*weigths[j]*this->W()*this->W()*
(
pow(mixtureComponents[i]->a(T)/mixtureComponents[j]->a(T),0.5)*mixtureComponents[j]->d2adT2(T)
+pow(mixtureComponents[j]->a(T)/mixtureComponents[i]->a(T),0.5)*mixtureComponents[i]->d2adT2(T)
+pow(mixtureComponents[i]->a(T)*mixtureComponents[j]->a(T),-0.5)
*mixtureComponents[i]->dadT(T)*mixtureComponents[j]->dadT(T)
-0.5*pow(mixtureComponents[i]->a(T)/mixtureComponents[j]->a(T),0.5)*1/mixtureComponents[j]->a(T)
*pow(mixtureComponents[j]->dadT(T),2)
-0.5*pow(mixtureComponents[j]->a(T)/mixtureComponents[i]->a(T),0.5)
*1/mixtureComponents[i]->a(T)*pow(mixtureComponents[i]->dadT(T),2)
);
}
//returns the pressure for a given density and temperature
inline scalar mixturePengRobinson::p(const scalar rho, const scalar T) const
{
updateModelCoefficients(T);
return pengRobinson::p(rho,T);
}
//Real deviative dp/dv at constant temperature
//(molar values)
inline scalar mixturePengRobinson::dpdv(const scalar rho, const scalar T) const
{
updateModelCoefficients(T);
return pengRobinson::dpdv(rho,T);
}
//Real deviative dp/dT at constant molar volume
//(molar values)
inline scalar mixturePengRobinson::dpdT(const scalar rho, const scalar T) const
{
updateModelCoefficients(T);
return pengRobinson::dpdT(rho,T);
}
//Real deviative dv/dT at constant pressure
//(molar values)
inline scalar mixturePengRobinson::dvdT(const scalar rho, const scalar T) const
{
updateModelCoefficients(T);
return pengRobinson::dvdT(rho,T);
}
//Real deviative dv/dp at constant temperature
//(molar values)
inline scalar mixturePengRobinson::dvdp(const scalar rho, const scalar T) const
{
updateModelCoefficients(T);
return pengRobinson::dvdp(rho,T);
}
//needed to calculate the internal energy
//(molar values)
inline scalar mixturePengRobinson::integral_p_dv
(
const scalar rho,
const scalar T
) const
{
updateModelCoefficients(T);
return pengRobinson::integral_p_dv(rho,T);
}
//needed to calculate the entropy
//(molar values)
inline scalar mixturePengRobinson::integral_dpdT_dv
(
const scalar rho,
const scalar T
) const
{
updateModelCoefficients(T);
return pengRobinson::integral_dpdT_dv(rho,T);
}
//(molar values)
inline scalar mixturePengRobinson::d2pdT2(const scalar rho, const scalar T) const
{
updateModelCoefficients(T);
return pengRobinson::d2pdT2(rho,T);
}
//(molar values)
inline scalar mixturePengRobinson::d2pdv2(const scalar rho, const scalar T) const
{
updateModelCoefficients(T);
return pengRobinson::d2pdv2(rho,T);
}
//(molar values)
inline scalar mixturePengRobinson::d2vdT2(const scalar rho, const scalar T) const
{
updateModelCoefficients(T);
return pengRobinson::d2vdT2(rho,T);
}
//(molar values)
inline scalar mixturePengRobinson::d2pdvdT(const scalar rho, const scalar T) const
{
updateModelCoefficients(T);
return pengRobinson::d2pdvdT(rho,T);
}
// the result of this intergal is needed for the nasa based cp polynomial
//(molar values)
inline scalar mixturePengRobinson::integral_d2pdT2_dv
(
const scalar rho,
const scalar T
) const
{
updateModelCoefficients(T);
return pengRobinson::integral_d2pdT2_dv(rho,T);
}
//Isobar expansion Coefficent beta = 1/v (dv/dt) at constant p
//(molar values)
inline scalar mixturePengRobinson::isobarExpCoef
(
const scalar rho,
const scalar T
) const
{
updateModelCoefficients(T);
return pengRobinson::isobarExpCoef(rho,T);
}
//isothemal compressiblity kappa (not Thermal conductivity)
//(molar values)
inline scalar mixturePengRobinson::isothermalCompressiblity
(
const scalar rho,
const scalar T
) const
{
updateModelCoefficients(T);
return pengRobinson::isothermalCompressiblity(rho,T);
}
//- Return density [kg/m^3]on
inline scalar mixturePengRobinson::rho
(
const scalar p,
const scalar T,
const scalar rho0
) const
{
updateModelCoefficients(T);
return pengRobinson::rho(p,T,rho0);
}
//- Return density [kg/m^3]on
inline scalar mixturePengRobinson::rho(const scalar p, const scalar T) const
{
updateModelCoefficients(T);
return pengRobinson::rho(p,T);
}
//- Return compressibility drho/dp at T=constant [s^2/m^2]
inline scalar mixturePengRobinson::psi(const scalar rho, const scalar T) const
{
this->updateModelCoefficients(T);
return pengRobinson::psi(rho,T);
}
//- Return compression factor []
inline scalar mixturePengRobinson::Z
(
const scalar p,
const scalar T,
const scalar rho0
) const
{
updateModelCoefficients(T);
return pengRobinson::Z(p,T,rho0);
}
// * * * * * * * * * * * * * * * Member Operators * * * * * * * * * * * * * //
inline void mixturePengRobinson::operator+=(const mixturePengRobinson& pr)
{
//CL: Resizes the DynamicList if number of compontens is larger than the DynamicList
if((weigths.size()<numOfComp+1)||(mixtureComponents.size()<numOfComp+1))
{
weigths.setSize(2*numOfComp);
mixtureComponents.setSize(2*numOfComp);
}
//Cl: oldClass+=pr
//CL: Saving the object pointer and weigths of pr (which is @ mixtureComponents[0] and weigths[0]) at the numOfComp's value of the oldClass
weigths[numOfComp]=pr.weigths[0];
mixtureComponents[numOfComp]=pr.mixtureComponents[0];
pengRobinson::operator+=(pr);
//CL: increase number of Components by 1
numOfComp=numOfComp+1;
//CL: setting TSave=0--> results that all coefficients (a, da, d2a) are calculated in updateModelCoefficients
TSave=0.0;
singleComponent=0;
//CL:setting rho boundaries
rhoMin_=min(rhoMin_,pr.rhoMin_);
rhoMax_=max(rhoMax_,pr.rhoMax_);
//CL: calculating rho @ std
rhostd_=this->rho(this->Pstd(), this->Tstd(), this->Pstd()*this->W()/(this->Tstd()*this->R()));
}
// * * * * * * * * * * * * * * * Friend Operators * * * * * * * * * * * * * //
inline mixturePengRobinson operator+
(
const mixturePengRobinson& pr1,
const mixturePengRobinson& pr2
)
{
//CL:save both a pointer to the objector pr1 and pr2 and the weights in the new object
DynamicList<scalar> weigths=pr1.weigths;
DynamicList<mixturePengRobinson*> mixtureComponents=pr1.mixtureComponents;
//CL: Resizes the DynamicList if number of compontens is larger than the DynamicList
if((weigths.size()<pr1.numOfComp+1)||(mixtureComponents.size()<pr1.numOfComp+1))
{
weigths.setSize(2*pr1.numOfComp);
mixtureComponents.setSize(2*pr1.numOfComp);
}
//CL: Getting the new weigths and mixtureComponents lists,
//CL: Saving the object pointer and weigths of pr2 (which is @ mixtureComponents[0] and weigths[0]) at the numOfComp's value of the new object
weigths[pr1.numOfComp]=pr2.weigths[0];
mixtureComponents[pr1.numOfComp]=pr2.mixtureComponents[0];
return mixturePengRobinson(static_cast<const pengRobinson&>(pr1)+static_cast<const pengRobinson&>(pr2),
pr1.numOfComp+1, weigths, mixtureComponents, min(pr1.rhoMin_,pr2.rhoMin_), max(pr1.rhoMax_,pr2.rhoMax_));
}
inline mixturePengRobinson operator*
(
const scalar s,
const mixturePengRobinson& pr
)
{
//CL: saving the "concentraction" of the component of the mixture in the vector weights
//CL: saved at the Position "numOfComp-1"
DynamicList<scalar> weigths=pr.weigths;
weigths[pr.numOfComp-1]=s*pr.nMoles();
return mixturePengRobinson(s*static_cast<const pengRobinson&>(pr), pr.numOfComp, weigths,
pr.mixtureComponents,pr.a0_,pr.b_,pr.Tcrit_,pr.n_,pr.rhostd_, pr.rhoMin_, pr.rhoMax_);
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
} // End namespace Foam
// ************************************************************************* //

154
src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureRedlichKwong/mixtureRedlichKwong.C
View file

@ -1,154 +0,0 @@
/*---------------------------------------------------------------------------*\
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration |
\\ / A nd | Copyright held by original author
\\/ M anipulation |
-------------------------------------------------------------------------------
License
This file is part of OpenFOAM.
OpenFOAM is free software; you can redistribute it and/or modify it
under the terms of the GNU General Public License as published by the
Free Software Foundation; either version 2 of the License, or (at your
option) any later version.
OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
for more details.
You should have received a copy of the GNU General Public License
along with OpenFOAM; if not, write to the Free Software Foundation,
Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
Description
Redlich Kwong equation of state for mixtures.
Author
Christian Lucas
Institut für Thermodynamik
Technische Universität Braunschweig
Germany
\*---------------------------------------------------------------------------*/
#include "mixtureRedlichKwong.H"
#include "IOstreams.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
namespace Foam
{
// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
mixtureRedlichKwong::mixtureRedlichKwong(Istream& is)
:
redlichKwong(is),
numOfComp(1),
//CL: no real gas mixture correction when stream constructor is used
realMixtureCorr_(false)
{
//CL: set size of weigths and mixtureComponents to 10
//CL: when more mixture components are used
//CL: size of the DynamicLis increases automatically
weigths.setSize(10);
mixtureComponents.setSize(10);
//Save a pointer of this object in the mixtureComponents array
mixtureComponents[0]=this;
is.check("mixtureRedlichKwong::mixtureRedlichKwong(Istream& is)");
}
//CL: Constructed needed in OpenFOAM 2.x.x
//CL: Code works fine, but compiling problem in OpenFOAM 1.6.ext
//CL: because specie has no constructor using dict
/*
mixtureRedlichKwong::mixtureRedlichKwong(const dictionary& dict)
:
redlichKwong(dict),
numOfComp(1),
realMixtureCorr_(dict.subDict("equationOfState").lookupOrDefault("realMixtureCorrection",false))
{
//CL: set size of weigths and mixtureComponents to 10
//CL: when more mixture components are used
//CL: size of the DynamicLis increases automatically
weigths.setSize(10);
mixtureComponents.setSize(10);
//Save a pointer of this object in the mixtureComponents array
mixtureComponents[0]=this;
if(realMixtureCorr_==true)
{
//CL: reads number of mixture components
//CL: this number is needed to calculate the number of correction coefficients
nCom_=dict.subDict("equationOfState").lookupOrDefault("numberOfComponents",1);
if (nCom_<1||nCom_==1)
{
FatalErrorIn
(
"mixtureRedlichKwong::mixtureRedlichKwong(const dictionary& dict)"
) << "mixture has only one component or number is not defined correctly, "
<< "recheck numberOfComponents in the thermophysicalProperties dict of your case"
<< abort(FatalError);
}
label i;
label j;
label k=0;
// CL: saves the number of mixtureCorrectionCoefficients needed for this mixture
// CL: need to be set to 1
label sizeOfVector_=1;
//CL: size of the vector depends on the number of components
//CL: determine the size of the vector
for (i=3; i<=nCom_;i++)
{
sizeOfVector_=sizeOfVector_+(i-1);
}
//CL: setting the size
realMixtureCorrCoef_.setSize(sizeOfVector_);
//CL: Reading the real mixture correction coefficients
//CL: Naming convention e.g for 3 component mixture:
//CL: mixtureCorrectionCoefficient_12, mixtureCorrectionCoefficient_13, mixtureCorrectionCoefficient_23
for(i=1;i<=nCom_-1;i++)
{
for(j=i+1;j<=nCom_;j++)
{
realMixtureCorrCoef_[k]=dict.subDict("equationOfState")
.lookupOrDefault("mixtureCorrectionCoefficient_" + Foam::name(i) + Foam::name(j),0.0);
k++;
}
}
}
}
// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
void Foam::mixtureRedlichKwong::write(Ostream& os) const
{
redlichKwong::write(os);
}
*/
// * * * * * * * * * * * * * * * Ostream Operator * * * * * * * * * * * * * //
Ostream& operator<<(Ostream& os, const mixtureRedlichKwong& rk)
{
os << static_cast<const redlichKwong&>(rk)<< token::SPACE ;
os.check("Ostream& operator<<(Ostream& os, const mixtureRedlichKwong& st)");
return os;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
} // End namespace Foam
// ************************************************************************* //

198
src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureRedlichKwong/mixtureRedlichKwong.H
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@ -1,198 +0,0 @@
/*---------------------------------------------------------------------------*\
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration |
\\ / A nd | Copyright held by original author
\\/ M anipulation |
-------------------------------------------------------------------------------
License
This file is part of OpenFOAM.
OpenFOAM is free software; you can redistribute it and/or modify it
under the terms of the GNU General Public License as published by the
Free Software Foundation; either version 2 of the License, or (at your
option) any later version.
OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
for more details.
You should have received a copy of the GNU General Public License
along with OpenFOAM; if not, write to the Free Software Foundation,
Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
Class
Foam::mixtureRedlichKwong
Description
Redlich Kwong equation of state for multiple component mixtures using the van der Waals mixing rule
Mixing Rule --> see Paper
Title: Van der waals mixing rules for cublic equations of state. Applications for supercritical fluids extraction modelling
Authors: T.Y. Kwak and G.A. Mansoori
Journal: Chemical Engineering Science, Vol 41, No. 5, pp. 1303-1309, 1986
SourceFiles
mixtureRedlichKwongI.H
mixtureRedlichKwong.C
Author
Christian Lucas
Institut für Thermodynamik
Technische Universität Braunschweig
Germany
\*---------------------------------------------------------------------------*/
#ifndef mixtureRedlichKwong_H
#define mixtureRedlichKwong_H
#include "specie.H"
#include "autoPtr.H"
#include "redlichKwong.H"
#include "scalarList.H"
#include "DynamicList.H"
#include "label.H"
#include "List.H"
#include "dictionary.H"
#include "scalar.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
namespace Foam
{
/*---------------------------------------------------------------------------*\
Class mixtureRedlichKwong Declaration
\*---------------------------------------------------------------------------*/
class mixtureRedlichKwong
:
public redlichKwong
{
// Private data
// Private functions
//CL: function updates the model coefficients (a,b) of the mixture
//CL: this is the function with the mixing rule
inline void updateModelCoefficients() const;
protected:
//CL: save the concentrations of each component of the mixture
//CL: needs to be multiplied by this->W() to get the molar fractions
mutable DynamicList<scalar> weigths;
//CL: saves a pointer to the pure component classes of the mixture
mutable DynamicList<mixtureRedlichKwong*> mixtureComponents;
//CL: counts the number of components
mutable label numOfComp;
//CL: Variables used in real gas mixture correction
//CL: If true, the real gas mixture correction is used
mutable bool realMixtureCorr_;
//CL: number of mixture components, needed to calculate the mixture correction factors needed
//CL: do not mistake this variable with numOfComp,
//CL: numOfComp is a counter to counts the number of components while the mixture is constructed
mutable label nCom_;
//CL: stores real mixture correction coefficients
mutable DynamicList<scalar> realMixtureCorrCoef_;
public:
// Constructors
//- Construct from components
//CL: needed for operator*
inline mixtureRedlichKwong
(
const redlichKwong& rK,
label numOfComp,
DynamicList<scalar> weigths,
DynamicList<mixtureRedlichKwong*> mixtureComponents,
scalar a,
scalar b,
scalar rhostd,
scalar rhoMin,
scalar rhoMax
);
//- Construct from components
//CL: needed for operator+
inline mixtureRedlichKwong
(
const redlichKwong& rK,
label numOfComp,
DynamicList<scalar> weigths,
DynamicList<mixtureRedlichKwong*> mixtureComponents,
scalar rhoMin,
scalar rhoMax
);
//- Construct from Istream
mixtureRedlichKwong(Istream&);
//- Construct from dictionary
//mixtureRedlichKwong(const dictionary& dict);
//- Construct as named copy
inline mixtureRedlichKwong(const word& name, const mixtureRedlichKwong&);
//- Construct and return a clone
inline autoPtr<mixtureRedlichKwong> clone() const;
// Selector from Istream
inline static autoPtr<mixtureRedlichKwong> New(Istream& is);
// I-O
//- Write to Ostream
//void write(Ostream& os) const;
// Member operators
inline void operator+=(const mixtureRedlichKwong&);
// Friend operators
inline friend mixtureRedlichKwong operator+
(
const mixtureRedlichKwong&,
const mixtureRedlichKwong&
);
inline friend mixtureRedlichKwong operator*
(
const scalar s,
const mixtureRedlichKwong&
);
// Ostream Operator
friend Ostream& operator<<(Ostream&, const mixtureRedlichKwong&);
};
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
} // End namespace Foam
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#include "mixtureRedlichKwongI.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#endif
// ************************************************************************* //

254
src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureRedlichKwong/mixtureRedlichKwongI.H
View file

@ -1,254 +0,0 @@
/*---------------------------------------------------------------------------*\
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration |
\\ / A nd | Copyright held by original author
\\/ M anipulation |
-------------------------------------------------------------------------------
License
This file is part of OpenFOAM.
OpenFOAM is free software; you can redistribute it and/or modify it
under the terms of the GNU General Public License as published by the
Free Software Foundation; either version 2 of the License, or (at your
option) any later version.
OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
for more details.
You should have received a copy of the GNU General Public License
along with OpenFOAM; if not, write to the Free Software Foundation,
Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
Author
Christian Lucas
Institut für Thermodynamik
Technische Universität Braunschweig
Germany
\*---------------------------------------------------------------------------*/
#include "mixtureRedlichKwong.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
namespace Foam
{
// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
// Construct from components
// CL: needed for operator*
inline mixtureRedlichKwong::mixtureRedlichKwong
(
const redlichKwong& rK,
label numOfComp,
DynamicList<scalar> weigths,
DynamicList<mixtureRedlichKwong*> mixtureComponents,
scalar a,
scalar b,
scalar rhostd,
scalar rhoMin,
scalar rhoMax
)
:
redlichKwong(rK),
weigths(weigths),
mixtureComponents(mixtureComponents),
numOfComp(numOfComp)
{
a_=a;
b_=b;
b2_=b*b;
b3_=pow(b,3);
b5_=pow(b,4);
rhostd_=rhostd;
//CL:setting rho boundaries
rhoMin_=rhoMin;
rhoMax_=rhoMax;
}
// Construct from components
// CL: needed for operator+
inline mixtureRedlichKwong::mixtureRedlichKwong
(
const redlichKwong& rK,
label numOfComp,
DynamicList<scalar> weigths,
DynamicList<mixtureRedlichKwong*> mixtureComponents,
scalar rhoMin,
scalar rhoMax
)
:
redlichKwong(rK),
weigths(weigths),
mixtureComponents(mixtureComponents),
numOfComp(numOfComp)
{
//CL: update model coefficients
updateModelCoefficients();
//CL:setting rho boundaries
rhoMin_=rhoMin;
rhoMax_=rhoMax;
//CL: calculating rho @ std
rhostd_=this->rho(this->Pstd(), this->Tstd(), this->Pstd()/(this->Tstd()*this->R()));
}
// Construct as named copy
inline mixtureRedlichKwong::mixtureRedlichKwong(const word& name, const mixtureRedlichKwong& rK)
:
redlichKwong(name, rK)
{}
// Construct and return a clone
inline autoPtr<mixtureRedlichKwong> mixtureRedlichKwong::clone() const
{
return autoPtr<mixtureRedlichKwong>(new mixtureRedlichKwong(*this));
}
// Selector from Istream
inline autoPtr<mixtureRedlichKwong> mixtureRedlichKwong::New(Istream& is)
{
return autoPtr<mixtureRedlichKwong>(new mixtureRedlichKwong(is));
}
// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
//CL: updates the coefficents of the model after the final construction of the mixture
//CL: uses the van der waals mixing rule
inline void mixtureRedlichKwong::updateModelCoefficients() const
{
label i,j,k;
a_=0;
b_=0;
for (i=0;i<numOfComp;i++)
{
//CL: getting a for the mixture
//CL: using van der waals mixing rule
for (j=0;j<numOfComp;j++)
{
//CL: Important: a is not a function of T
if(mixtureComponents[0]->realMixtureCorr_==true)
{
if(j!=i)
{
//CL: gives the position of the correction factor in the vector realMixtureCorrCoef_
k=i+j-1;
a_=a_+weigths[i]*weigths[j]*pow(mixtureComponents[i]->a()*mixtureComponents[j]->a(),0.5)
*this->W()*this->W()*(1-mixtureComponents[0]->realMixtureCorrCoef_[k]);
}
else
{
a_=a_+weigths[i]*weigths[j]*pow(mixtureComponents[i]->a()*mixtureComponents[j]->a(),0.5)*this->W()*this->W();
}
}
//CL: don't use mixture correction cofficients k_ij (see paper reference)
else
{
a_=a_+weigths[i]*weigths[j]*pow(mixtureComponents[i]->a()*mixtureComponents[j]->a(),0.5)*this->W()*this->W();
}
//CL: getting b for the mixture
//CL: using van der waals mixing rule
b_=b_+weigths[i]*mixtureComponents[i]->b()*this->W();
}
}
b2_=b_*b_;
b3_=pow(b_,3);
b5_=pow(b_,4);
}
// * * * * * * * * * * * * * * * Member Operators * * * * * * * * * * * * * //
inline void mixtureRedlichKwong::operator+=(const mixtureRedlichKwong& rK)
{
//CL: Resizes the DynamicList if number of compontens is larger than the DynamicList
if((weigths.size()<numOfComp+1)||(mixtureComponents.size()<numOfComp+1))
{
weigths.setSize(2*numOfComp);
mixtureComponents.setSize(2*numOfComp);
}
//Cl: oldClass+=rK
//CL: Saving the object pointer and weigths of rK (which is @ mixtureComponents[0] and weigths[0]) at the numOfComp's value of the oldClass
weigths[numOfComp]=rK.weigths[0];
mixtureComponents[numOfComp]=rK.mixtureComponents[0];
redlichKwong::operator+=(rK);
//CL: increase number of Components by 1
numOfComp=numOfComp+1;
//CL: update model coefficients
updateModelCoefficients();
//CL:setting rho boundaries
rhoMin_=min(rhoMin_,rK.rhoMin_);
rhoMax_=max(rhoMax_,rK.rhoMax_);
//CL: calculating rho @ std
rhostd_=this->rho(this->Pstd(), this->Tstd(), this->Pstd()*this->W()/(this->Tstd()*this->R()));
}
// * * * * * * * * * * * * * * * Friend Operators * * * * * * * * * * * * * //
inline mixtureRedlichKwong operator+
(
const mixtureRedlichKwong& rK1,
const mixtureRedlichKwong& rK2
)
{
//CL:save both a pointer to the objector rK1 and rK2 and the weights in the new object
DynamicList<scalar> weigths=rK1.weigths;
DynamicList<mixtureRedlichKwong*> mixtureComponents=rK1.mixtureComponents;
//CL: Resizes the DynamicList if number of compontens is larger than the DynamicList
if((weigths.size()<rK1.numOfComp+1)||(mixtureComponents.size()<rK1.numOfComp+1))
{
weigths.setSize(2*rK1.numOfComp);
mixtureComponents.setSize(2*rK1.numOfComp);
}
//CL: Getting the new weigths and mixtureComponents lists,
//CL: Saving the object pointer and weigths of rK2 (which is @ mixtureComponents[0] and weigths[0]) at the numOfComp's value of the new object
weigths[rK1.numOfComp]=rK2.weigths[0];
mixtureComponents[rK1.numOfComp]=rK2.mixtureComponents[0];
return mixtureRedlichKwong(static_cast<const redlichKwong&>(rK1)+static_cast<const redlichKwong&>(rK2),
rK1.numOfComp+1, weigths, mixtureComponents, min(rK1.rhoMin_,rK2.rhoMin_), max(rK1.rhoMax_,rK2.rhoMax_));
}
inline mixtureRedlichKwong operator*
(
const scalar s,
const mixtureRedlichKwong& rK
)
{
//CL: saving the "concentraction" of the component of the mixture in the vector weights
DynamicList<scalar> weigths=rK.weigths;
weigths[rK.numOfComp-1]=s*rK.nMoles();
return mixtureRedlichKwong(s*static_cast<const redlichKwong&>(rK), rK.numOfComp, weigths,
rK.mixtureComponents,rK.a_,rK.b_,rK.rhostd_, rK.rhoMin_, rK.rhoMax_);
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
} // End namespace Foam
// ************************************************************************* //

157
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@ -1,157 +0,0 @@
/*---------------------------------------------------------------------------*\
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration |
\\ / A nd | Copyright held by original author
\\/ M anipulation |
-------------------------------------------------------------------------------
License
This file is part of OpenFOAM.
OpenFOAM is free software; you can redistribute it and/or modify it
under the terms of the GNU General Public License as published by the
Free Software Foundation; either version 2 of the License, or (at your
option) any later version.
OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
for more details.
You should have received a copy of the GNU General Public License
along with OpenFOAM; if not, write to the Free Software Foundation,
Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
Description
Soave Redlich Kwong equation of state for mixtures.
Author
Christian Lucas
Institut für Thermodynamik
Technische Universität Braunschweig
Germany
\*---------------------------------------------------------------------------*/
#include "mixtureSoaveRedlichKwong.H"
#include "IOstreams.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
namespace Foam
{
// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
mixtureSoaveRedlichKwong::mixtureSoaveRedlichKwong(Istream& is)
:
soaveRedlichKwong(is),
singleComponent(1),
numOfComp(1),
//CL: no real gas mixture correction when stream constructor is used
realMixtureCorr_(false)
{
//CL: set size of weigths, mixtureComponents ... to 10,
//CL: when more mixture componentents are used
//CL: size of the DynamicLis increases automatically
weigths.setSize(10);
mixtureComponents.setSize(10);
//Save a pointer of this object in the mixtureComponents array
mixtureComponents[0]=this;
is.check("mixtureSoaveRedlichKwong::mixtureSoaveRedlichKwong(Istream& is)");
}
//CL: Constructed needed in OpenFOAM 2.x.x
//CL: Code works fine, but compiling problem in OpenFOAM 1.6.ext
//CL: because specie has no constructor using dict
/*
mixtureSoaveRedlichKwong::mixtureSoaveRedlichKwong(const dictionary& dict)
:
soaveRedlichKwong(dict),
numOfComp(1),
singleComponent(1),
realMixtureCorr_(dict.subDict("equationOfState").lookupOrDefault("realMixtureCorrection",false))
{
//CL: set size of weigths, mixtureComponents ... to 10,
//CL: when more mixture componentents are used
//CL: size of the DynamicLis increases automatically
weigths.setSize(10);
mixtureComponents.setSize(10);
//Save a pointer of this object in the mixtureComponents array
mixtureComponents[0]=this;
if(realMixtureCorr_==true)
{
//CL: reads number of mixture components
//CL: this number is needed to calculate the number of correction coefficients
nCom_=dict.subDict("equationOfState").lookupOrDefault("numberOfComponents",1);
if (nCom_<1||nCom_==1)
{
FatalErrorIn
(
"mixturePengRobinson::mixturePengRobinson(const dictionary& dict)"
) << "mixture has only one component or number is not defined correctly, "
<< "recheck numberOfComponents in the thermophysicalProperties dict of your case"
<< abort(FatalError);
}
label i;
label j;
label k=0;
// CL: saves the number of mixtureCorrectionCoefficients needed for this mixture
// CL: need to be set to 1
label sizeOfVector_=1;
//CL: size of the vector depends on the number of components
//CL: determine the size of the vector
for (i=3; i<=nCom_;i++)
{
sizeOfVector_=sizeOfVector_+(i-1);
}
//CL: setting the size
realMixtureCorrCoef_.setSize(sizeOfVector_);
//CL: Reading the real mixture correction coefficients
//CL: Naming convention e.g for 3 component mixture:
//CL: mixtureCorrectionCoefficient_12, mixtureCorrectionCoefficient_13, mixtureCorrectionCoefficient_23
for(i=1;i<=nCom_-1;i++)
{
for(j=i+1;j<=nCom_;j++)
{
realMixtureCorrCoef_[k]=dict.subDict("equationOfState")
.lookupOrDefault("mixtureCorrectionCoefficient_" + Foam::name(i) + Foam::name(j),0.0);
k++;
}
}
}
}
// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
void Foam::mixtureSoaveRedlichKwong::write(Ostream& os) const
{
soaveRedlichKwong::write(os);
}
*/
// * * * * * * * * * * * * * * * Ostream Operator * * * * * * * * * * * * * //
Ostream& operator<<(Ostream& os, const mixtureSoaveRedlichKwong& srk)
{
os << static_cast<const soaveRedlichKwong&>(srk)<< token::SPACE ;
os.check("Ostream& operator<<(Ostream& os, const mixtureSoaveRedlichKwong& st)");
return os;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
} // End namespace Foam
// ************************************************************************* //

273
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@ -1,273 +0,0 @@
/*---------------------------------------------------------------------------*\
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration |
\\ / A nd | Copyright held by original author
\\/ M anipulation |
-------------------------------------------------------------------------------
License
This file is part of OpenFOAM.
OpenFOAM is free software; you can redistribute it and/or modify it
under the terms of the GNU General Public License as published by the
Free Software Foundation; either version 2 of the License, or (at your
option) any later version.
OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
for more details.
You should have received a copy of the GNU General Public License
along with OpenFOAM; if not, write to the Free Software Foundation,
Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
Class
Foam::mixtureSoaveRedlichKwong
Description
Soave Redlich Kwong equation of state for multiple component mixtures using the van der Waals mixing rule
Mixing Rule --> see Paper
Title: Van der eaals mixting rules for cublic equations of state. Applications for supercritical fluids extraction modelling
Authors: T.Y. Kwak and G.A. Mansoori
Journal: Chemical Engineering Science, Vol 41, No. 5, pp. 1303-1309, 1986
SourceFiles
mixtureSoaveRedlichKwongI.H
mixtureSoaveRedlichKwong.C
Author
Christian Lucas
Institut für Thermodynamik
Technische Universität Braunschweig
Germany
\*---------------------------------------------------------------------------*/
#ifndef mixtureSoaveRedlichKwong_H
#define mixtureSoaveRedlichKwong_H
#include "specie.H"
#include "autoPtr.H"
#include "soaveRedlichKwong.H"
#include "DynamicList.H"
#include "scalarList.H"
#include "label.H"
#include "List.H"
#include "dictionary.H"
#include "scalar.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
namespace Foam
{
/*---------------------------------------------------------------------------*\
Class mixtureSoaveRedlichKwong Declaration
\*---------------------------------------------------------------------------*/
class mixtureSoaveRedlichKwong
:
public soaveRedlichKwong
{
protected:
//CL: bool used to make sure the model behaves like a single component model when needed
//CL: this is needed during the construction of the mixture
mutable bool singleComponent;
//CL: save the concentrations of each component of the mixture
//CL: needs to be multiplied by this->W() to get the molar fractions
mutable DynamicList<scalar> weigths;
//CL: saves a pointer to the pure component classes of the mixture
mutable DynamicList<mixtureSoaveRedlichKwong*> mixtureComponents;
//CL: counts the number of components
mutable label numOfComp;
//Protected functions
//CL: function updates the coefficients (aSave, daSave, d2aSave, b) of the mixture
inline void updateModelCoefficients(const scalar T) const;
//CL: Variables used in real gas mixture correction
//CL: If true, the real gas mixture correction is used
mutable bool realMixtureCorr_;
//CL: number of mixture components, needed to calculate the mixture correction factors needed
//CL: do not mistake this variable with numOfComp,
//CL: numOfComp is a counter to counts the number of components while the mixture is constructed
mutable label nCom_;
//CL: stores real mixture correction coefficients
mutable DynamicList<scalar> realMixtureCorrCoef_;
public:
// Constructors
//- Construct from components
//CL: needed for operator*
inline mixtureSoaveRedlichKwong
(
const soaveRedlichKwong& srk,
label numOfComp,
DynamicList<scalar> weigths,
DynamicList<mixtureSoaveRedlichKwong*> mixtureComponents,
scalar a0,
scalar b,
scalar Tcrit,
scalar n,
scalar rhostd,
scalar rhoMin,
scalar rhoMax
);
//- Construct from components
//CL: needed for operator+
inline mixtureSoaveRedlichKwong
(
const soaveRedlichKwong& srk,
label numOfComp,
DynamicList<scalar> weigths,
DynamicList<mixtureSoaveRedlichKwong*> mixtureComponents,
scalar rhoMin,
scalar rhoMax
);
//- Construct from Istream
mixtureSoaveRedlichKwong(Istream&);
//- Construct from dictionary
//mixtureSoaveRedlichKwong(const dictionary& dict);
//- Construct as named copy
inline mixtureSoaveRedlichKwong(const word& name, const mixtureSoaveRedlichKwong&);
//- Construct and return a clone
inline autoPtr<mixtureSoaveRedlichKwong> clone() const;
// Selector from Istream
inline static autoPtr<mixtureSoaveRedlichKwong> New(Istream& is);
// Member functions
//CL: mixture coefficience
inline scalar amix(const scalar T, const label i, const label j) const;
inline scalar dadTmix(const scalar T, const label i, const label j) const;
inline scalar d2adT2mix(const scalar T, const label i, const label j) const;
inline scalar p(const scalar rho, const scalar T) const;
//first order derivatives
inline scalar dpdv(const scalar rho, const scalar T) const;
inline scalar dpdT(const scalar rho, const scalar T) const;
inline scalar dvdT(const scalar rho, const scalar T) const;
inline scalar dvdp(const scalar rho, const scalar T) const;
inline scalar isobarExpCoef(const scalar rho, const scalar T) const;
inline scalar isothermalCompressiblity
(
const scalar rho,
const scalar T
) const;
// Used for cv
inline scalar integral_d2pdT2_dv
(
const scalar rho,
const scalar T
) const;
//Used for internal Energy
inline scalar integral_p_dv(const scalar rho, const scalar T) const;
// Used for Entropy
inline scalar integral_dpdT_dv(const scalar rho, const scalar T) const;
// second order derivatives, not Used At The Moment
inline scalar d2pdv2(const scalar rho, const scalar T) const;
inline scalar d2pdT2(const scalar rho, const scalar T) const;
inline scalar d2pdvdT(const scalar rho, const scalar T) const;
inline scalar d2vdT2(const scalar rho, const scalar T) const;
//- Return density [kg/m^3]
// rho0 is the starting point of the newton solver used to calculate rho
inline scalar rho
(
const scalar p,
const scalar T,
const scalar rho0
) const;
inline scalar rho(const scalar p, const scalar T) const;
//- Return compressibility drho/dp at T=constant [s^2/m^2]
inline scalar psi(const scalar rho, const scalar T) const;
//- Return compression factor []
inline scalar Z
(
const scalar p,
const scalar T,
const scalar rho0
) const;
// I-O
//- Write to Ostream
//void write(Ostream& os) const;
// Member operators
inline void operator+=(const mixtureSoaveRedlichKwong&);
// Friend operators
inline friend mixtureSoaveRedlichKwong operator+
(
const mixtureSoaveRedlichKwong&,
const mixtureSoaveRedlichKwong&
);
inline friend mixtureSoaveRedlichKwong operator*
(
const scalar s,
const mixtureSoaveRedlichKwong&
);
// Ostream Operator
friend Ostream& operator<<(Ostream&, const mixtureSoaveRedlichKwong&);
};
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
} // End namespace Foam
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#include "mixtureSoaveRedlichKwongI.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#endif
// ************************************************************************* //

498
src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureSoaveRedlichKwong/mixtureSoaveRedlichKwongI.H
View file

@ -1,498 +0,0 @@
/*---------------------------------------------------------------------------*\
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration |
\\ / A nd | Copyright held by original author
\\/ M anipulation |
-------------------------------------------------------------------------------
License
This file is part of OpenFOAM.
OpenFOAM is free software; you can redistribute it and/or modify it
under the terms of the GNU General Public License as published by the
Free Software Foundation; either version 2 of the License, or (at your
option) any later version.
OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
for more details.
You should have received a copy of the GNU General Public License
along with OpenFOAM; if not, write to the Free Software Foundation,
Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
Author
Christian Lucas
Institut für Thermodynamik
Technische Universität Braunschweig
Germany
\*---------------------------------------------------------------------------*/
#include "mixtureSoaveRedlichKwong.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
namespace Foam
{
// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
// Construct from components
// CL: needed for operator*
inline mixtureSoaveRedlichKwong::mixtureSoaveRedlichKwong
(
const soaveRedlichKwong& srk,
label numOfComp,
DynamicList<scalar> weigths,
DynamicList<mixtureSoaveRedlichKwong*> mixtureComponents,
scalar a0,
scalar b,
scalar Tcrit,
scalar n,
scalar rhostd,
scalar rhoMin,
scalar rhoMax
)
:
soaveRedlichKwong(srk),
singleComponent(1),
weigths(weigths),
mixtureComponents(mixtureComponents),
numOfComp(numOfComp)
{
a0_=a0;
b_=b;
Tcrit_=Tcrit;
n_=n;
rhostd_=rhostd;
rhoMin_=rhoMin;
rhoMax_=rhoMax;
}
// Construct from components
// CL: needed for operator+
inline mixtureSoaveRedlichKwong::mixtureSoaveRedlichKwong
(
const soaveRedlichKwong& srk,
label numOfComp,
DynamicList<scalar> weigths,
DynamicList<mixtureSoaveRedlichKwong*> mixtureComponents,
scalar rhoMin,
scalar rhoMax
)
:
soaveRedlichKwong(srk),
singleComponent(0),
weigths(weigths),
mixtureComponents(mixtureComponents),
numOfComp(numOfComp)
{
TSave=0.0;
rhoMin_=rhoMin;
rhoMax_=rhoMax;
rhostd_=this->rho(this->Pstd(), this->Tstd(), this->Pstd()*this->W()/(this->Tstd()*this->R()));
}
// Construct as named copy
inline mixtureSoaveRedlichKwong::mixtureSoaveRedlichKwong(const word& name, const mixtureSoaveRedlichKwong& srk)
:
soaveRedlichKwong(name, srk)
{}
// Construct and return a clone
inline autoPtr<mixtureSoaveRedlichKwong> mixtureSoaveRedlichKwong::clone() const
{
return autoPtr<mixtureSoaveRedlichKwong>(new mixtureSoaveRedlichKwong(*this));
}
// Selector from Istream
inline autoPtr<mixtureSoaveRedlichKwong> mixtureSoaveRedlichKwong::New(Istream& is)
{
return autoPtr<mixtureSoaveRedlichKwong>(new mixtureSoaveRedlichKwong(is));
}
// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
//CL: updates the coefficents of the model after the final construction of the mixture
//CL: uses the van der waals mixing rule
inline void mixtureSoaveRedlichKwong::updateModelCoefficients(const scalar T) const
{
// CL: to make sure that the coefficents are only updated if the mixture has more than 1 component
if (singleComponent==0)
{
// Checking if the mixture coefficient were already calculated for this temperature
if(TSave!=T)
{
label i,j,k;
aSave=0;
daSave=0;
d2aSave=0;
b_=0;
for (i=0;i<numOfComp;i++)
{
//CL: getting a(T), dadT(T) and d2adT2(T) for the mixture
//CL: using van der waals mixing rule
for (j=0;j<numOfComp;j++)
{
//CL: use mixture correction cofficients k_ij (see paper reference)
if(mixtureComponents[0]->realMixtureCorr_==true)
{
// first and second order temperature derivative of the van der waals mixing rule for a(T)
if(i==j)
{
aSave=aSave+amix(T,i,j);
daSave=daSave+dadTmix(T,i,j);
d2aSave=d2aSave+d2adT2mix(T,i,j);
}
else
{
//CL: gives the position of the correction factor in the vector realMixtureCorrCoef_
k=i+j-1;
aSave=aSave+amix(T,i,j)*(1-mixtureComponents[0]->realMixtureCorrCoef_[k]);
daSave=daSave+dadTmix(T,i,j)*(1-mixtureComponents[0]->realMixtureCorrCoef_[k]);
d2aSave=d2aSave+d2adT2mix(T,i,j)*(1-mixtureComponents[0]->realMixtureCorrCoef_[k]);
}
}
else
{
aSave=aSave+amix(T,i,j);
daSave=daSave+dadTmix(T,i,j);
d2aSave=d2aSave+d2adT2mix(T,i,j);
}
}
//CL: getting b for the mixture
//CL: using van der waals mixing rule
b_=b_+weigths[i]*mixtureComponents[i]->b()*this->W();
//CL: saving the temperature at which the mixture coefficients are valid
TSave=T;
}
b2_=b_*b_;
b3_=pow(b_,3);
b5_=pow(b_,5);
}
}
}
//CL: returns part of "a" for the mixture
//CL: Important: a is a function of T
//CL: TODO: RECHECK
inline scalar mixtureSoaveRedlichKwong::amix(const scalar T, const label i, const label j) const
{
return weigths[i]*weigths[j]*this->W()*this->W()*
pow(mixtureComponents[i]->a(T)*mixtureComponents[j]->a(T),0.5);
}
//CL: returns part of the first derivative of "a" for the mixture
//CL: Important: a is a function of T
//CL: TODO: RECHECK
inline scalar mixtureSoaveRedlichKwong::dadTmix(const scalar T, const label i, const label j) const
{
return 0.5*weigths[i]*weigths[j]*this->W()*this->W()
*(pow(mixtureComponents[i]->a(T)/mixtureComponents[j]->a(T),0.5)*mixtureComponents[j]->dadT(T)
+pow(mixtureComponents[j]->a(T)/mixtureComponents[i]->a(T),0.5)*mixtureComponents[i]->dadT(T));
}
//CL: returns part of the second derivative of "a" for the mixture
//CL: Important: a is a function of T
//CL: TODO: RECHECK
inline scalar mixtureSoaveRedlichKwong::d2adT2mix(const scalar T, const label i, const label j) const
{
return 0.5*weigths[i]*weigths[j]*this->W()*this->W()*
(
pow(mixtureComponents[i]->a(T)/mixtureComponents[j]->a(T),0.5)*mixtureComponents[j]->d2adT2(T)
+pow(mixtureComponents[j]->a(T)/mixtureComponents[i]->a(T),0.5)*mixtureComponents[i]->d2adT2(T)
+pow(mixtureComponents[i]->a(T)*mixtureComponents[j]->a(T),-0.5)
*mixtureComponents[i]->dadT(T)*mixtureComponents[j]->dadT(T)
-0.5*pow(mixtureComponents[i]->a(T)/mixtureComponents[j]->a(T),0.5)*1/mixtureComponents[j]->a(T)
*pow(mixtureComponents[j]->dadT(T),2)
-0.5*pow(mixtureComponents[j]->a(T)/mixtureComponents[i]->a(T),0.5)
*1/mixtureComponents[i]->a(T)*pow(mixtureComponents[i]->dadT(T),2)
);
}
//returns the pressure for a given density and temperature
inline scalar mixtureSoaveRedlichKwong::p(const scalar rho, const scalar T) const
{
updateModelCoefficients(T);
return soaveRedlichKwong::p(rho,T);
}
//Real deviative dp/dv at constant temperature
//(molar values)
inline scalar mixtureSoaveRedlichKwong::dpdv(const scalar rho, const scalar T) const
{
updateModelCoefficients(T);
return soaveRedlichKwong::dpdv(rho,T);
}
//Real deviative dp/dT at constant molar volume
//(molar values)
inline scalar mixtureSoaveRedlichKwong::dpdT(const scalar rho, const scalar T) const
{
updateModelCoefficients(T);
return soaveRedlichKwong::dpdT(rho,T);
}
//Real deviative dv/dT at constant pressure
//(molar values)
inline scalar mixtureSoaveRedlichKwong::dvdT(const scalar rho, const scalar T) const
{
updateModelCoefficients(T);
return soaveRedlichKwong::dvdT(rho,T);
}
//Real deviative dv/dp at constant temperature
//(molar values)
inline scalar mixtureSoaveRedlichKwong::dvdp(const scalar rho, const scalar T) const
{
updateModelCoefficients(T);
return soaveRedlichKwong::dvdp(rho,T);
}
//needed to calculate the internal energy
//(molar values)
inline scalar mixtureSoaveRedlichKwong::integral_p_dv
(
const scalar rho,
const scalar T
) const
{
updateModelCoefficients(T);
return soaveRedlichKwong::integral_p_dv(rho,T);
}
//needed to calculate the entropy
//(molar values)
inline scalar mixtureSoaveRedlichKwong::integral_dpdT_dv
(
const scalar rho,
const scalar T
) const
{
updateModelCoefficients(T);
return soaveRedlichKwong::integral_dpdT_dv(rho,T);
}
//(molar values)
inline scalar mixtureSoaveRedlichKwong::d2pdT2(const scalar rho, const scalar T) const
{
updateModelCoefficients(T);
return soaveRedlichKwong::d2pdT2(rho,T);
}
//(molar values)
inline scalar mixtureSoaveRedlichKwong::d2pdv2(const scalar rho, const scalar T) const
{
updateModelCoefficients(T);
return soaveRedlichKwong::d2pdv2(rho,T);
}
//(molar values)
inline scalar mixtureSoaveRedlichKwong::d2vdT2(const scalar rho, const scalar T) const
{
updateModelCoefficients(T);
return soaveRedlichKwong::d2vdT2(rho,T);
}
//(molar values)
inline scalar mixtureSoaveRedlichKwong::d2pdvdT(const scalar rho, const scalar T) const
{
updateModelCoefficients(T);
return soaveRedlichKwong::d2pdvdT(rho,T);
}
// the result of this intergal is needed for the nasa based cp polynomial
//(molar values)
inline scalar mixtureSoaveRedlichKwong::integral_d2pdT2_dv
(
const scalar rho,
const scalar T
) const
{
updateModelCoefficients(T);
return soaveRedlichKwong::integral_d2pdT2_dv(rho,T);
}
//Isobar expansion Coefficent beta = 1/v (dv/dt) at constant p
//(molar values)
inline scalar mixtureSoaveRedlichKwong::isobarExpCoef
(
const scalar rho,
const scalar T
) const
{
updateModelCoefficients(T);
return soaveRedlichKwong::isobarExpCoef(rho,T);
}
//isothemal compressiblity kappa (not Thermal conductivity)
//(molar values)
inline scalar mixtureSoaveRedlichKwong::isothermalCompressiblity
(
const scalar rho,
const scalar T
) const
{
updateModelCoefficients(T);
return soaveRedlichKwong::isothermalCompressiblity(rho,T);
}
//- Return density [kg/m^3]on
inline scalar mixtureSoaveRedlichKwong::rho
(
const scalar p,
const scalar T,
const scalar rho0
) const
{
updateModelCoefficients(T);
return soaveRedlichKwong::rho(p,T,rho0);
}
//- Return density [kg/m^3]on
inline scalar mixtureSoaveRedlichKwong::rho(const scalar p, const scalar T) const
{
updateModelCoefficients(T);
return soaveRedlichKwong::rho(p,T);
}
//- Return compressibility drho/dp at T=constant [s^2/m^2]
inline scalar mixtureSoaveRedlichKwong::psi(const scalar rho, const scalar T) const
{
this->updateModelCoefficients(T);
return soaveRedlichKwong::psi(rho,T);
}
//- Return compression factor []
inline scalar mixtureSoaveRedlichKwong::Z
(
const scalar p,
const scalar T,
const scalar rho0
) const
{
updateModelCoefficients(T);
return soaveRedlichKwong::Z(p,T,rho0);
}
// * * * * * * * * * * * * * * * Member Operators * * * * * * * * * * * * * //
inline void mixtureSoaveRedlichKwong::operator+=(const mixtureSoaveRedlichKwong& srk)
{
//CL: Resizes the DynamicList if number of compontens is larger than the DynamicList
if((weigths.size()<numOfComp+1)||(mixtureComponents.size()<numOfComp+1))
{
weigths.setSize(2*numOfComp);
mixtureComponents.setSize(2*numOfComp);
}
//Cl: oldClass+=srk
//CL: Saving the object pointer and weigths of pr (which is @ mixtureComponents[0] and weigths[0]) at the numOfComp's value of the oldClass
weigths[numOfComp]=srk.weigths[0];
mixtureComponents[numOfComp]=srk.mixtureComponents[0];
soaveRedlichKwong::operator+=(srk);
//CL: increase number of Components by 1
numOfComp=numOfComp+1;
//CL: setting TSave=0--> results that all coefficients (a, da, d2a) are calculated in updateModelCoefficients
TSave=0.0;
singleComponent=0;
//CL:setting rho boundaries
rhoMin_=min(rhoMin_,srk.rhoMin_);
rhoMax_=max(rhoMax_,srk.rhoMax_);
//CL: calculating rho @ std
rhostd_=this->rho(this->Pstd(), this->Tstd(), this->Pstd()*this->W()/(this->Tstd()*this->R()));
}
// * * * * * * * * * * * * * * * Friend Operators * * * * * * * * * * * * * //
inline mixtureSoaveRedlichKwong operator+
(
const mixtureSoaveRedlichKwong& srk1,
const mixtureSoaveRedlichKwong& srk2
)
{
//CL:save both a pointer to the objector srk1 and srk2 and the weights in the new object
DynamicList<scalar> weigths=srk1.weigths;
DynamicList<mixtureSoaveRedlichKwong*> mixtureComponents=srk1.mixtureComponents;
//CL: Resizes the DynamicList if number of compontens is larger than the DynamicList
if((weigths.size()<srk1.numOfComp+1)||(mixtureComponents.size()<srk1.numOfComp+1))
{
weigths.setSize(2*srk1.numOfComp);
mixtureComponents.setSize(2*srk1.numOfComp);
}
//CL: Getting the new weigths and mixtureComponents lists,
//CL: Saving the object pointer and weigths of srk2 (which is @ mixtureComponents[0] and weigths[0]) at the numOfComp's value of the new object
weigths[srk1.numOfComp]=srk2.weigths[0];
mixtureComponents[srk1.numOfComp]=srk2.mixtureComponents[0];
return mixtureSoaveRedlichKwong(static_cast<const soaveRedlichKwong&>(srk1)+static_cast<const soaveRedlichKwong&>(srk2),
srk1.numOfComp+1, weigths, mixtureComponents, min(srk1.rhoMin_,srk2.rhoMin_), max(srk1.rhoMax_,srk2.rhoMax_));
}
inline mixtureSoaveRedlichKwong operator*
(
const scalar s,
const mixtureSoaveRedlichKwong& srk
)
{
//CL: saving the "concentraction" of the component of the mixture in the vector weights
//CL: saved at the Position "numOfComp-1"
DynamicList<scalar> weigths=srk.weigths;
weigths[srk.numOfComp-1]=s*srk.nMoles();
return mixtureSoaveRedlichKwong(s*static_cast<const soaveRedlichKwong&>(srk), srk.numOfComp, weigths,
srk.mixtureComponents,srk.a0_,srk.b_,srk.Tcrit_,srk.n_,srk.rhostd_, srk.rhoMin_, srk.rhoMax_);
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
} // End namespace Foam
// ************************************************************************* //

86
src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/pengRobinson/pengRobinson.C
View file

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

132
src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/pengRobinson/pengRobinson.H
View file

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

347
src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/pengRobinson/pengRobinsonI.H
View file

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

39
src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/redlichKwong/redlichKwong.C
View file

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

64
src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/redlichKwong/redlichKwong.H
View file

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

175
src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/redlichKwong/redlichKwongI.H
View file

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

66
src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/soaveRedlichKwong/soaveRedlichKwong.C
View file

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

113
src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/soaveRedlichKwong/soaveRedlichKwong.H
View file

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

277
src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/soaveRedlichKwong/soaveRedlichKwongI.H
View file

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

71
src/thermophysicalModels/specie/thermo/realGasThermo/constantHeatCapacity/constantHeatCapacity.C Executable file
View file

@ -0,0 +1,71 @@
/*---------------------------------------------------------------------------*\
========= |
\\ / F ield | foam-extend: Open Source CFD
\\ / O peration |
\\ / A nd | For copyright notice see file Copyright
\\/ M anipulation |
-------------------------------------------------------------------------------
License
This file is part of foam-extend.
foam-extend is free software: you can redistribute it and/or modify it
under the terms of the GNU General Public License as published by the
Free Software Foundation, either version 3 of the License, or (at your
option) any later version.
foam-extend is distributed in the hope that it will be useful, but
WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
General Public License for more details.
You should have received a copy of the GNU General Public License
along with foam-extend. If not, see <http://www.gnu.org/licenses/>.
Author
Christian Lucas
Institut für Thermodynamik
Technische Universität Braunschweig
Germany
\*---------------------------------------------------------------------------*/
#include "constantHeatCapacity.H"
#include "IOstreams.H"
// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
template<class equationOfState>
Foam::constantHeatCapacity<equationOfState>::constantHeatCapacity(Istream& is)
:
equationOfState(is),
Cp0_(readScalar(is)),
cp0_(Cp0_*this->W()),
//values for some need terms at std
e0_std(e0(this->Tstd())),
s0_std(s0(this->Tstd())),
integral_p_dv_std(this->integral_p_dv(this->rhostd(),this->Tstd())),
integral_dpdT_dv_std(this->integral_dpdT_dv(this->rhostd(),this->Tstd())),
// cp @ STD (needed to limit cp for stability
cp_std(this->cp_nonLimited(this->rhostd(),this->Tstd()))
{
is.check("constantHeatCapacity::constantHeatCapacity(Istream& is)");
}
// * * * * * * * * * * * * * * * Ostream Operator * * * * * * * * * * * * * //
template<class equationOfState>
Foam::Ostream& Foam::operator<<
(
Ostream& os,
const constantHeatCapacity<equationOfState>& np
)
{
os << static_cast<const equationOfState&>(np) << tab
<< np.Cp0_;
os.check("Ostream& operator<<(Ostream& os, const constantHeatCapacity& np)");
return os;
}
// ************************************************************************* //

256
src/thermophysicalModels/specie/thermo/realGasThermo/constantHeatCapacity/constantHeatCapacity.H Executable file
View file

@ -0,0 +1,256 @@
/*---------------------------------------------------------------------------*\
========= |
\\ / F ield | foam-extend: Open Source CFD
\\ / O peration |
\\ / A nd | For copyright notice see file Copyright
\\/ M anipulation |
-------------------------------------------------------------------------------
License
This file is part of foam-extend.
foam-extend is free software: you can redistribute it and/or modify it
under the terms of the GNU General Public License as published by the
Free Software Foundation, either version 3 of the License, or (at your
option) any later version.
foam-extend is distributed in the hope that it will be useful, but
WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
General Public License for more details.
You should have received a copy of the GNU General Public License
along with foam-extend. If not, see <http://www.gnu.org/licenses/>.
Class
Foam::constantHeatCapacity
Description
real gas thermodynamic class --> constant perfect gas heat capacity
Important: the perfect gas heat capacity is constant, the real heat capacity is not constant due to real gas corrections
templated into the equationOfState
-> uses the equation of state to calculate all real Gas properties like Enthalpy, Entropy ...
-> can not be used with the perfectGas equation of state
Equations for the real gas correction: Have a look at thermodnamics books e.g. Thermodynamics:
An Engineering Approch, 5 Edition, Chapter 12
SourceFiles
constantHeatCapacityI.H
constantHeatCapacity.C
Author
Christian Lucas
Institut für Thermodynamik
Technische Universität Braunschweig
Germany
\*---------------------------------------------------------------------------*/
#ifndef constantHeatCapacity_H
#define constantHeatCapacity_H
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
namespace Foam
{
// Forward declaration of friend functions and operators
template<class equationOfState> class constantHeatCapacity;
template<class equationOfState>
inline constantHeatCapacity<equationOfState> operator+
(
const constantHeatCapacity<equationOfState>&,
const constantHeatCapacity<equationOfState>&
);
template<class equationOfState>
inline constantHeatCapacity<equationOfState> operator-
(
const constantHeatCapacity<equationOfState>&,
const constantHeatCapacity<equationOfState>&
);
template<class equationOfState>
inline constantHeatCapacity<equationOfState> operator*
(
const scalar,
const constantHeatCapacity<equationOfState>&
);
template<class equationOfState>
inline constantHeatCapacity<equationOfState> operator==
(
const constantHeatCapacity<equationOfState>&,
const constantHeatCapacity<equationOfState>&
);
template<class equationOfState>
Ostream& operator<<
(
Ostream&,
const constantHeatCapacity<equationOfState>&
);
/*---------------------------------------------------------------------------*\
Class constantHeatCapacity Thermo Declaration
\*---------------------------------------------------------------------------*/
template<class equationOfState>
class constantHeatCapacity
:
public equationOfState
{
// Private data
//CL: spec. cp
scalar Cp0_;
//CL: molar values
scalar cp0_;
scalar e0_std;
scalar s0_std;
scalar integral_p_dv_std;
scalar integral_dpdT_dv_std;
scalar cp_std;
// Private member functions
//- Construct from components
//CL: used for the operator+
inline constantHeatCapacity
(
const equationOfState& st,
const scalar cp0_
);
//- Construct from components
//CL: used for the operator*
inline constantHeatCapacity
(
const equationOfState& st,
const scalar cp0_,
const scalar e0_std_,
const scalar s0_std_,
const scalar integral_p_dv_std_,
const scalar integral_dpdT_dv_std_,
const scalar cp_std_
);
public:
//Variable
// Constructors
//- Construct from Istream
constantHeatCapacity(Istream&);
//- Construct as named copy
inline constantHeatCapacity(const word&, const constantHeatCapacity&);
//- Construct and return a clone
inline autoPtr<constantHeatCapacity> clone() const;
//- Selector from Istream
inline static autoPtr<constantHeatCapacity> New(Istream& is);
// Member Functions
//- perfect Gas Enthalpy [J/kmol]
inline scalar h0(const scalar T) const;
//- perfect Gas Entropy [J/(kmol K)]
inline scalar s0(const scalar T) const;
//- perfect Gas internal Energy [J/kmol]
inline scalar e0(const scalar T) const;
//- perfect gas Heat capacity at constant pressure [J/(kmol K)]
inline scalar cv0(const scalar T) const;
//- perfect gas Heat capacity at constant pressure [J/(kmol K)]
inline scalar cp0(const scalar T) const;
//- Limited Heat capacity at constant pressure [J/(kmol K)]
inline scalar cp(const scalar rho, const scalar T) const;
//- non Limited Heat capacity at constant pressure [J/(kmol K)]
inline scalar cp_nonLimited(const scalar rho, const scalar T) const;
//- Heat capacity at constant pressure [J/(kmol K)]
inline scalar cv(const scalar rho, const scalar T) const;
//- Enthalpy [J/kmol]
inline scalar h(const scalar rho, const scalar T) const;
//- Entropy [J/(kmol K)]
inline scalar s(const scalar rho,const scalar T) const;
//- Internal Energy [J/kmol]
inline scalar e(const scalar rho, const scalar T) const;
// Member operators
inline void operator+=(const constantHeatCapacity&);
inline void operator-=(const constantHeatCapacity&);
// Friend operators
friend constantHeatCapacity operator+ <equationOfState>
(
const constantHeatCapacity&,
const constantHeatCapacity&
);
friend constantHeatCapacity operator- <equationOfState>
(
const constantHeatCapacity&,
const constantHeatCapacity&
);
friend constantHeatCapacity operator* <equationOfState>
(
const scalar,
const constantHeatCapacity&
);
friend constantHeatCapacity operator== <equationOfState>
(
const constantHeatCapacity&,
const constantHeatCapacity&
);
// IOstream Operators
friend Ostream& operator<< <equationOfState>
(
Ostream&,
const constantHeatCapacity&
);
};
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
} // End namespace Foam
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#include "constantHeatCapacityI.H"
#ifdef NoRepository
# include "constantHeatCapacity.C"
#endif
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#endif
// ************************************************************************* //

407
src/thermophysicalModels/specie/thermo/realGasThermo/constantHeatCapacity/constantHeatCapacityI.H Executable file
View file

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

4
src/thermophysicalModels/specie/thermo/realGasThermo/nasaHeatCapacityPolynomial/nasaHeatCapacityPolynomial.C
View file

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

3
src/thermophysicalModels/specie/thermo/realGasThermo/nasaHeatCapacityPolynomial/nasaHeatCapacityPolynomial.H
View file

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

12
src/thermophysicalModels/specie/thermo/realGasThermo/nasaHeatCapacityPolynomial/nasaHeatCapacityPolynomialI.H
View file

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

4
src/thermophysicalModels/specie/thermo/realGasThermo/realGasSpecieThermo/realGasSpecieThermo.C
View file

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

4
src/thermophysicalModels/specie/thermo/realGasThermo/realGasSpecieThermo/realGasSpecieThermo.H
View file

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

25
src/thermophysicalModels/specie/thermo/realGasThermo/realGasSpecieThermo/realGasSpecieThermoI.H
View file

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

8
src/thermophysicalModels/specie/transport/const/constTransport.H
View file

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

17
src/thermophysicalModels/specie/transport/const/constTransportI.H
View file

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

56
src/thermophysicalModels/specie/transport/constRealGas/constRealGasTransport.C Normal file
View file

@ -0,0 +1,56 @@
/*---------------------------------------------------------------------------*\
========= |
\\ / F ield | foam-extend: Open Source CFD
\\ / O peration |
\\ / A nd | For copyright notice see file Copyright
\\/ M anipulation |
-------------------------------------------------------------------------------
License
This file is part of foam-extend.
foam-extend is free software: you can redistribute it and/or modify it
under the terms of the GNU General Public License as published by the
Free Software Foundation, either version 3 of the License, or (at your
option) any later version.
foam-extend is distributed in the hope that it will be useful, but
WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
General Public License for more details.
You should have received a copy of the GNU General Public License
along with foam-extend. If not, see <http://www.gnu.org/licenses/>.
\*---------------------------------------------------------------------------*/
#include "constRealGasTransport.H"
#include "IOstreams.H"
// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
template<class Thermo>
Foam::constRealGasTransport<Thermo>::constRealGasTransport(Istream& is)
:
Thermo(is),
mu_(readScalar(is)),
rPr_(1.0/readScalar(is))
{
is.check("constRealGasTransport::constRealGasTransport(Istream& is)");
}
// * * * * * * * * * * * * * * * IOstream Operators * * * * * * * * * * * * //
template<class Thermo>
Foam::Ostream& Foam::operator<<(Ostream& os, const constRealGasTransport<Thermo>& ct)
{
operator<<(os, static_cast<const Thermo&>(ct));
os << tab << ct.mu_ << tab << 1.0/ct.rPr_;
os.check("Ostream& operator<<(Ostream&, const constRealGasTransport&)");
return os;
}
// ************************************************************************* //

202
src/thermophysicalModels/specie/transport/constRealGas/constRealGasTransport.H Normal file
View file

@ -0,0 +1,202 @@
/*---------------------------------------------------------------------------*\
========= |
\\ / F ield | foam-extend: Open Source CFD
\\ / O peration |
\\ / A nd | For copyright notice see file Copyright
\\/ M anipulation |
-------------------------------------------------------------------------------
License
This file is part of foam-extend.
foam-extend is free software: you can redistribute it and/or modify it
under the terms of the GNU General Public License as published by the
Free Software Foundation, either version 3 of the License, or (at your
option) any later version.
foam-extend is distributed in the hope that it will be useful, but
WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
General Public License for more details.
You should have received a copy of the GNU General Public License
along with foam-extend. If not, see <http://www.gnu.org/licenses/>.
Class
Foam::constRealGasTransport
Description
Constant properties Transport package.
Templated into a given thermodynamics package (needed for thermal
conductivity).
SourceFiles
constRealGasTransportI.H
constRealGasTransport.C
\*---------------------------------------------------------------------------*/
#ifndef constRealGasTransport_H
#define constRealGasTransport_H
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
namespace Foam
{
// Forward declaration of friend functions and operators
template<class Thermo> class constRealGasTransport;
template<class Thermo>
inline constRealGasTransport<Thermo> operator+
(
const constRealGasTransport<Thermo>&,
const constRealGasTransport<Thermo>&
);
template<class Thermo>
inline constRealGasTransport<Thermo> operator-
(
const constRealGasTransport<Thermo>&,
const constRealGasTransport<Thermo>&
);
template<class Thermo>
inline constRealGasTransport<Thermo> operator*
(
const scalar,
const constRealGasTransport<Thermo>&
);
template<class Thermo>
inline constRealGasTransport<Thermo> operator==
(
const constRealGasTransport<Thermo>&,
const constRealGasTransport<Thermo>&
);
template<class Thermo>
Ostream& operator<<
(
Ostream&,
const constRealGasTransport<Thermo>&
);
/*---------------------------------------------------------------------------*\
Class constRealGasTransport Declaration
\*---------------------------------------------------------------------------*/
template<class Thermo>
class constRealGasTransport
:
public Thermo
{
// Private data
//- Constant dynamic viscosity [Pa.s]
scalar mu_;
//- Reciprocal Prandtl Number []
scalar rPr_;
// Private Member Functions
//- Construct from components
inline constRealGasTransport
(
const Thermo& t,
const scalar mu,
const scalar Pr
);
public:
// Constructors
//- Construct as named copy
inline constRealGasTransport(const word&, const constRealGasTransport&);
//- Construct from Istream
constRealGasTransport(Istream&);
// Member functions
//- Dynamic viscosity [kg/ms]
inline scalar mu(const scalar T) const;
//- Thermal conductivity [W/mK]
inline scalar kappa(const scalar rho, const scalar T) const;
//- Thermal diffusivity for enthalpy [kg/ms]
inline scalar alpha(const scalar rho, const scalar T) const;
// Species diffusivity
//inline scalar D(const scalar T) const;
// Member operators
inline constRealGasTransport& operator=
(
const constRealGasTransport&
);
// Friend operators
friend constRealGasTransport operator+ <Thermo>
(
const constRealGasTransport&,
const constRealGasTransport&
);
friend constRealGasTransport operator- <Thermo>
(
const constRealGasTransport&,
const constRealGasTransport&
);
friend constRealGasTransport operator* <Thermo>
(
const scalar,
const constRealGasTransport&
);
friend constRealGasTransport operator== <Thermo>
(
const constRealGasTransport&,
const constRealGasTransport&
);
// Ostream Operator
friend Ostream& operator<< <Thermo>
(
Ostream&,
const constRealGasTransport&
);
};
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
} // End namespace Foam
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#include "constRealGasTransportI.H"
#ifdef NoRepository
# include "constRealGasTransport.C"
#endif
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#endif
// ************************************************************************* //

217
src/thermophysicalModels/specie/transport/constRealGas/constRealGasTransportI.H Normal file
View file

@ -0,0 +1,217 @@
/*---------------------------------------------------------------------------*\
========= |
\\ / F ield | foam-extend: Open Source CFD
\\ / O peration |
\\ / A nd | For copyright notice see file Copyright
\\/ M anipulation |
-------------------------------------------------------------------------------
License
This file is part of foam-extend.
foam-extend is free software: you can redistribute it and/or modify it
under the terms of the GNU General Public License as published by the
Free Software Foundation, either version 3 of the License, or (at your
option) any later version.
foam-extend is distributed in the hope that it will be useful, but
WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
General Public License for more details.
You should have received a copy of the GNU General Public License
along with foam-extend. If not, see <http://www.gnu.org/licenses/>.
\*---------------------------------------------------------------------------*/
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
namespace Foam
{
// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
template<class Thermo>
inline Foam::constRealGasTransport<Thermo>::constRealGasTransport
(
const Thermo& t,
const scalar mu,
const scalar Pr
)
:
Thermo(t),
mu_(mu),
rPr_(1.0/Pr)
{}
template<class Thermo>
inline Foam::constRealGasTransport<Thermo>::constRealGasTransport
(
const word& name,
const constRealGasTransport& ct
)
:
Thermo(name, ct),
mu_(ct.mu_),
rPr_(ct.rPr_)
{}
// Construct and return a clone
template<class thermo>
inline autoPtr<constRealGasTransport<Thermo> > constTransport<thermo>::clone
() const
{
return autoPtr<constRealGasTransport<Thermo> >
(
new constTransport<thermo>(*this)
);
}
// Selector from Istream
template<class thermo>
inline autoPtr<constRealGasTransport<Thermo> > constTransport<thermo>::New
(
Istream& is
)
{
return autoPtr<constRealGasTransport<Thermo> >
(
new constRealGasTransport<thermo>(is)
);
}
// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
template<class Thermo>
inline Foam::scalar Foam::constRealGasTransport<Thermo>::mu(const scalar) const
{
return mu_;
}
// CL: for real gas thermo
// Thermal conductivity [W/mK]
template<class thermo>
inline Foam::scalar Foam::constRealGasTransport<thermo>::kappa(const scalar rho, const scalar T) const
{
return this->Cp(rho, T)*mu(T)*rPr_;
}
// CL: for real gas thermo
// Thermal diffusivity for enthalpy [kg/ms]
template<class thermo>
inline Foam::scalar Foam::constRealGasTransport<thermo>::alpha(const scalar rho, const scalar T) const
{
scalar Cp_ = this->Cp(rho, T);
scalar deltaT = T - specie::Tstd();
scalar CpBar =
(deltaT*(this->H(rho, T) - this->H(this->rhostd(), specie::Tstd())) + Cp_)/(sqr(deltaT) + 1);
return Cp_*mu(T)*rPr_/CpBar;
}
// * * * * * * * * * * * * * * * Member Operators * * * * * * * * * * * * * //
template<class Thermo>
inline Foam::constRealGasTransport<Thermo>& Foam::constRealGasTransport<Thermo>::operator=
(
const constRealGasTransport<Thermo>& ct
)
{
Thermo::operator=(ct);
mu_ = ct.mu_;
rPr_ = ct.rPr_;
return *this;
}
// * * * * * * * * * * * * * * * Friend Operators * * * * * * * * * * * * * //
template<class Thermo>
inline Foam::constRealGasTransport<Thermo> Foam::operator+
(
const constRealGasTransport<Thermo>& ct1,
const constRealGasTransport<Thermo>& ct2
)
{
Thermo t
(
static_cast<const Thermo&>(ct1) + static_cast<const Thermo&>(ct2)
);
scalar molr1 = ct1.nMoles()/t.nMoles();
scalar molr2 = ct2.nMoles()/t.nMoles();
return constRealGasTransport<Thermo>
(
t,
molr1*ct1.mu_ + molr2*ct2.mu_,
molr1*ct1.rPr_ + molr2*ct2.rPr_
);
}
template<class Thermo>
inline Foam::constRealGasTransport<Thermo> Foam::operator-
(
const constRealGasTransport<Thermo>& ct1,
const constRealGasTransport<Thermo>& ct2
)
{
Thermo t
(
static_cast<const Thermo&>(ct1) - static_cast<const Thermo&>(ct2)
);
scalar molr1 = ct1.nMoles()/t.nMoles();
scalar molr2 = ct2.nMoles()/t.nMoles();
return constRealGasTransport<Thermo>
(
t,
molr1*ct1.mu_ - molr2*ct2.mu_,
molr1*ct1.rPr_ - molr2*ct2.rPr_
);
}
template<class Thermo>
inline Foam::constRealGasTransport<Thermo> Foam::operator*
(
const scalar s,
const constRealGasTransport<Thermo>& ct
)
{
return constRealGasTransport<Thermo>
(
s*static_cast<const Thermo&>(ct),
ct.mu_,
ct.rPr_
);
}
template<class Thermo>
inline Foam::constRealGasTransport<Thermo> Foam::operator==
(
const constRealGasTransport<Thermo>& ct1,
const constRealGasTransport<Thermo>& ct2
)
{
return ct2 - ct1;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
} // End namespace Foam
// ************************************************************************* //

8
src/thermophysicalModels/specie/transport/sutherland/sutherlandTransport.H
View file

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

28
src/thermophysicalModels/specie/transport/sutherland/sutherlandTransportI.H
View file

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

2
tutorials/compressible/realFluidPisoFoam/ras/backStep/0/U
View file

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

42
tutorials/compressible/realFluidPisoFoam/ras/backStep/0/epsilon
View file

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

28
tutorials/compressible/realFluidPisoFoam/ras/backStep/0/k
View file

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

12
tutorials/compressible/realFluidPisoFoam/ras/backStep/0/p
View file

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

12
tutorials/compressible/realFluidPisoFoam/ras/backStep/constant/RASProperties
View file

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

12
tutorials/compressible/realFluidPisoFoam/ras/backStep/constant/polyMesh/blockMeshDict
View file

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

8
tutorials/compressible/realFluidPisoFoam/ras/backStep/constant/polyMesh/boundary
View file

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

59
tutorials/compressible/realFluidPisoFoam/ras/backStep/constant/thermophysicalProperties
View file

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

12
tutorials/compressible/realFluidPisoFoam/ras/backStep/constant/turbulenceProperties
View file

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

18
tutorials/compressible/realFluidPisoFoam/ras/backStep/system/controlDict
View file

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

12
tutorials/compressible/realFluidPisoFoam/ras/backStep/system/fvSchemes
View file

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

28
tutorials/compressible/realFluidPisoFoam/ras/backStep/system/fvSolution
View file

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

49
tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0.org/T Executable file
View file

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

51
tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0.org/U Executable file
View file

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

58
tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0.org/epsilon Normal file
View file

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

53
tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0.org/k Normal file
View file

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

49
tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0.org/p Executable file
View file

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

49
tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0/T Executable file
View file

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

51
tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0/U Executable file
View file

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

60
tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0/epsilon Normal file
View file

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

53
tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0/k Normal file
View file

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

49
tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0/p Executable file
View file

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

9
tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/Allrun Executable file
View file

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

25
tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/constant/RASProperties Executable file
View file

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

173
tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/constant/polyMesh/blockMeshDict Normal file
View file

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

52
tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/constant/polyMesh/boundary Normal file
View file

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

23
tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/constant/thermophysicalProperties Executable file
View file

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

21
tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/constant/turbulenceProperties Executable file
View file

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

61
tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/system/controlDict Executable file
View file

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

70
tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/system/fvSchemes Normal file
View file

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

96
tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/system/fvSolution Executable file
View file

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

12
tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0.org/T
View file

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

12
tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0.org/U
View file

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

22
tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0.org/epsilon
View file

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

6
tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0.org/k
View file

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

12
tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0.org/p
View file

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

12
tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0/T
View file

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

12
tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0/U
View file

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

24
tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0/epsilon
View file

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

8
tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0/k
View file

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

12
tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0/p
View file

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

61
tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/README
View file

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

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