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solver, tutorial +mixClasses changed

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morgoth 2013-08-16 10:28:04 +02:00 committed by Henrik Rusche
parent 38ebdf8515
commit 72ea9d2d6f
103 changed files with 3239 additions and 47066 deletions
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3
applications/solvers/compressible/realFluidPisoFoam/Make/files Normal file
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@ -0,0 +1,3 @@
realFluidPisoFoam.C
EXE = $(FOAM_APPBIN)/realFluidPisoFoam

14
applications/solvers/compressible/realFluidPisoFoam/Make/options Normal file
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@ -0,0 +1,14 @@
EXE_INC = \
-I$(LIB_SRC)/thermophysicalModels/specie/lnInclude \
-I$(LIB_SRC)/thermophysicalModels/basic/lnInclude \
-I$(LIB_SRC)/turbulenceModels/compressible/turbulenceModel \
-I$(LIB_SRC)/finiteVolume/lnInclude
EXE_LIBS = \
-lfiniteVolume \
-lmeshTools \
-lbasicThermophysicalModels \
-lspecie \
-lcompressibleTurbulenceModel \
-lcompressibleRASModels \
-lcompressibleLESModels

11
applications/solvers/compressible/realFluidPisoFoam/UEqn.H Normal file
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@ -0,0 +1,11 @@
fvVectorMatrix UEqn
(
fvm::ddt(rho, U)
+ fvm::div(phi, U)
+ turbulence->divDevRhoReff(U)
);
if (momentumPredictor)
{
solve(UEqn == -fvc::grad(p));
}

61
applications/solvers/compressible/realFluidPisoFoam/createFields.H Normal file
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@ -0,0 +1,61 @@
Info<< "Reading thermophysical properties\n" << endl;
autoPtr<basicPsiThermo> pThermo
(
basicPsiThermo::New(mesh)
);
basicPsiThermo& thermo = pThermo();
volScalarField& p = thermo.p();
volScalarField& h = thermo.h();
const volScalarField& psi = thermo.psi();
const volScalarField& drhodh = thermo.drhodh();
bool realFluid=mesh.solutionDict().subDict("PISO").lookupOrDefault<bool>("realFluid",false);
volScalarField rho
(
IOobject
(
"rho",
runTime.timeName(),
mesh,
IOobject::NO_READ,
IOobject::AUTO_WRITE
),
thermo.rho()
);
Info<< "\nReading field U\n" << endl;
volVectorField U
(
IOobject
(
"U",
runTime.timeName(),
mesh,
IOobject::MUST_READ,
IOobject::AUTO_WRITE
),
mesh
);
# include "compressibleCreatePhi.H"
Info<< "Creating turbulence model\n" << endl;
autoPtr<compressible::turbulenceModel> turbulence
(
compressible::turbulenceModel::New
(
rho,
U,
phi,
thermo
)
);
Info<< "Creating field DpDt\n" << endl;
volScalarField DpDt =
fvc::DDt(surfaceScalarField("phiU", phi/fvc::interpolate(rho)), p);

12
applications/solvers/compressible/realFluidPisoFoam/hEqn.H Normal file
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@ -0,0 +1,12 @@
{
solve
(
fvm::ddt(rho, h)
+ fvm::div(phi, h)
- fvm::laplacian(turbulence->alphaEff(), h)
==
DpDt
);
thermo.correct();
}

98
applications/solvers/compressible/realFluidPisoFoam/pEqn.H Normal file
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@ -0,0 +1,98 @@
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)
);
for (int nonOrth=0; nonOrth<=nNonOrthCorr; nonOrth++)
{
fvScalarMatrix pEqn
(
psi*fvm::ddt(p)
+ drhodh*fvc::ddt(h)
+ fvc::div(phi)
- fvm::laplacian(rho*rUA, p)
);
pEqn.solve();
if (nonOrth == nNonOrthCorr)
{
phi += pEqn.flux();
}
}
}
else
{
if (transonic)
{
surfaceScalarField phid
(
"phid",
fvc::interpolate(psi)
*(
(fvc::interpolate(U) & mesh.Sf())
+ fvc::ddtPhiCorr(rUA, rho, U, phi)
)
);
for (int nonOrth=0; nonOrth<=nNonOrthCorr; nonOrth++)
{
fvScalarMatrix pEqn
(
fvm::ddt(psi, p)
+ fvm::div(phid, p)
- fvm::laplacian(rho*rUA, p)
);
pEqn.solve();
if (nonOrth == nNonOrthCorr)
{
phi == pEqn.flux();
}
}
}
else
{
phi =
fvc::interpolate(rho)*
(
(fvc::interpolate(U) & mesh.Sf())
+ fvc::ddtPhiCorr(rUA, rho, U, phi)
);
for (int nonOrth=0; nonOrth<=nNonOrthCorr; nonOrth++)
{
fvScalarMatrix pEqn
(
fvm::ddt(psi, p)
+ fvc::div(phi)
- fvm::laplacian(rho*rUA, p)
);
pEqn.solve();
if (nonOrth == nNonOrthCorr)
{
phi += pEqn.flux();
}
}
}
}
#include "rhoEqn.H"
#include "compressibleContinuityErrs.H"
U -= rUA*fvc::grad(p);
U.correctBoundaryConditions();
DpDt = fvc::DDt(surfaceScalarField("phiU", phi/fvc::interpolate(rho)), p);

97
applications/solvers/compressible/realFluidPisoFoam/realFluidPisoFoam.C Normal file
View file

@ -0,0 +1,97 @@
/*---------------------------------------------------------------------------*\
========= |
\\ / 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
Application
rhoPisoFoam
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
\*---------------------------------------------------------------------------*/
#include "fvCFD.H"
#include "basicPsiThermo.H"
#include "turbulenceModel.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
int main(int argc, char *argv[])
{
#include "setRootCase.H"
#include "createTime.H"
#include "createMesh.H"
#include "createFields.H"
#include "initContinuityErrs.H"
#include "readTimeControls.H"
#include "compressibleCourantNo.H"
#include "setInitialDeltaT.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
Info<< "\nStarting time loop\n" << endl;
while (runTime.run())
{
#include "readTimeControls.H"
#include "readPISOControls.H"
#include "compressibleCourantNo.H"
#include "setDeltaT.H"
runTime++;
Info<< "Time = " << runTime.timeName() << nl << endl;
#include "rhoEqn.H"
#include "UEqn.H"
// --- PISO loop
for (int corr=1; corr<=nCorr; corr++)
{
#include "hEqn.H"
#include "pEqn.H"
}
turbulence->correct();
rho = thermo.rho();
runTime.write();
Info<< "ExecutionTime = " << runTime.elapsedCpuTime() << " s"
<< " ClockTime = " << runTime.elapsedClockTime() << " s"
<< nl << endl;
}
Info<< "End\n" << endl;
return 0;
}
// ************************************************************************* //

3
applications/solvers/compressible/rhoPisoFoam/createFields.H
View file

@ -9,9 +9,6 @@
volScalarField& p = thermo.p();
volScalarField& h = thermo.h();
const volScalarField& psi = thermo.psi();
const volScalarField& drhodh = thermo.drhodh();
bool realFluid=mesh.solutionDict().subDict("PISO").lookupOrDefault<bool>("realFluid",false);
volScalarField rho
(

92
applications/solvers/compressible/rhoPisoFoam/pEqn.H
View file

@ -3,7 +3,36 @@ rho = thermo.rho();
volScalarField rUA = 1.0/UEqn.A();
U = rUA*UEqn.H();
if (realFluid)
if (transonic)
{
surfaceScalarField phid
(
"phid",
fvc::interpolate(psi)
*(
(fvc::interpolate(U) & mesh.Sf())
+ fvc::ddtPhiCorr(rUA, rho, U, phi)
)
);
for (int nonOrth=0; nonOrth<=nNonOrthCorr; nonOrth++)
{
fvScalarMatrix pEqn
(
fvm::ddt(psi, p)
+ fvm::div(phid, p)
- fvm::laplacian(rho*rUA, p)
);
pEqn.solve();
if (nonOrth == nNonOrthCorr)
{
phi == pEqn.flux();
}
}
}
else
{
phi =
fvc::interpolate(rho)*
@ -16,8 +45,7 @@ if (realFluid)
{
fvScalarMatrix pEqn
(
psi*fvm::ddt(p)
+ drhodh*fvc::ddt(h)
fvm::ddt(psi, p)
+ fvc::div(phi)
- fvm::laplacian(rho*rUA, p)
);
@ -30,64 +58,6 @@ if (realFluid)
}
}
}
else
{
if (transonic)
{
surfaceScalarField phid
(
"phid",
fvc::interpolate(psi)
*(
(fvc::interpolate(U) & mesh.Sf())
+ fvc::ddtPhiCorr(rUA, rho, U, phi)
)
);
for (int nonOrth=0; nonOrth<=nNonOrthCorr; nonOrth++)
{
fvScalarMatrix pEqn
(
fvm::ddt(psi, p)
+ fvm::div(phid, p)
- fvm::laplacian(rho*rUA, p)
);
pEqn.solve();
if (nonOrth == nNonOrthCorr)
{
phi == pEqn.flux();
}
}
}
else
{
phi =
fvc::interpolate(rho)*
(
(fvc::interpolate(U) & mesh.Sf())
+ fvc::ddtPhiCorr(rUA, rho, U, phi)
);
for (int nonOrth=0; nonOrth<=nNonOrthCorr; nonOrth++)
{
fvScalarMatrix pEqn
(
fvm::ddt(psi, p)
+ fvc::div(phi)
- fvm::laplacian(rho*rUA, p)
);
pEqn.solve();
if (nonOrth == nNonOrthCorr)
{
phi += pEqn.flux();
}
}
}
}
#include "rhoEqn.H"
#include "compressibleContinuityErrs.H"

15
src/thermophysicalModels/specie/Make/files
View file

@ -12,12 +12,13 @@ $(reactions)/makeChemkinReactions.C
$(reactions)/makeReactionThermoReactions.C
$(reactions)/makeLangmuirHinshelwoodReactions.C
$(equationOfState)/aungierRedlichKwong/aungierRedlichKwong.C
$(equationOfState)/pengRobinson/pengRobinson.C
$(equationOfState)/redlichKwong/redlichKwong.C
$(equationOfState)/soaveRedlichKwong/soaveRedlichKwong.C
$(equationOfState)/mixtureRedlichKwong/mixtureRedlichKwong.C
$(equationOfState)/mixturePengRobinson/mixturePengRobinson.C
$(equationOfState)/mixtureSoaveRedlichKwong/mixtureSoaveRedlichKwong.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

76
src/thermophysicalModels/specie/equationOfState/aungierRedlichKwong/aungierRedlichKwong.C → src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/aungierRedlichKwong/aungierRedlichKwong.C
View file

@ -41,18 +41,6 @@ Germany
namespace Foam
{
/* * * * * * * * * * * * * * * Private static data * * * * * * * * * * * * * */
const scalar aungierRedlichKwong::rhoMin_
(
debug::tolerances("aungierRedlichKwongRhoMin", 1e-3)
);
const scalar aungierRedlichKwong::rhoMax_
(
debug::tolerances("aungierRedlichKwongRhoMax", 1500)
);
// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
aungierRedlichKwong::aungierRedlichKwong(Istream& is)
@ -62,22 +50,76 @@ aungierRedlichKwong::aungierRedlichKwong(Istream& is)
Tcrit_(readScalar(is)),
azentricFactor_(readScalar(is)),
rhocrit_(readScalar(is)),
a_(0.42747*pow(this->RR,2)*pow(Tcrit_,2)/pcrit_),
a0_(0.42747*pow(this->RR,2)*pow(Tcrit_,2)/pcrit_),
b_(0.08664*this->RR*Tcrit_/pcrit_),
c_(this->RR*Tcrit_/(pcrit_+(a_/(this->W()/rhocrit_*(this->W()/rhocrit_+b_))))+b_-this->W()/rhocrit_),
c_(this->RR*Tcrit_/(pcrit_+(a0_/(this->W()/rhocrit_*(this->W()/rhocrit_+b_))))+b_-this->W()/rhocrit_),
n_(0.4986+1.2735*azentricFactor_+0.4754*pow(azentricFactor_,2)),
// Starting GUESS for the density by ideal gas law
rhostd_(this->rho(Pstd,Tstd,Pstd/(Tstd*this->R())))
TSave(0.0),
//CL: Only uses the default values
rhoMin_(1e-3),
rhoMax_(1500),
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())))
{
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)
:
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"))),
//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())))
{}
// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
void Foam::aungierRedlichKwong::write(Ostream& os) const
{
specie::write(os);
dictionary dict("equationOfState");
dict.add("pCritical", pcrit_);
dict.add("TCritical", Tcrit_);
dict.add("azentricFactor", azentricFactor_);
dict.add("rhoCritical", rhocrit_);
dict.add("rhoMin", rhoMin_);
dict.add("rhoMax", rhoMax_);
os << indent << dict.dictName() << dict;
}
*/
// * * * * * * * * * * * * * * * Ostream Operator * * * * * * * * * * * * * //
Ostream& operator<<(Ostream& os, const aungierRedlichKwong& ark)
{
os << static_cast<const specie&>(ark)<< tab
os << static_cast<const specie&>(ark)<< token::SPACE
<< ark.pcrit_ << tab<< ark.Tcrit_<< tab<<ark.azentricFactor_<< tab<<ark.rhocrit_;
os.check("Ostream& operator<<(Ostream& os, const aungierRedlichKwong& st)");

91
src/thermophysicalModels/specie/equationOfState/aungierRedlichKwong/aungierRedlichKwong.H → src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/aungierRedlichKwong/aungierRedlichKwong.H
View file

@ -65,6 +65,9 @@ class aungierRedlichKwong
public specie
{
protected:
// Private data
scalar pcrit_;
scalar Tcrit_;
@ -72,21 +75,37 @@ class aungierRedlichKwong
scalar rhocrit_;
//Aungier Redlich Kwong factors
mutable scalar a_;
mutable scalar a0_;
mutable scalar b_;
mutable scalar c_;
mutable 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_;
//Density @STD, initialise after a, b!
scalar rhostd_;
//Static Private data
//CL: rhoMin and rhoMax are only used as boundaries for the bisection methode (see rho function)
scalar rhoMax_;
scalar rhoMin_;
//should be read from the fvSolution file where rhoMax and rhoMin values must be define ( for rhoSimpleFoam)
//HR: Don't know, yet. Let's make these static for starters
static const scalar rhoMax_;
static const scalar rhoMin_;
//CL: Variables to save the values of a, dadT and d2adT2 of the mixture
//CL: Variables must corrected for changing temperatures
mutable scalar aSave;
mutable scalar daSave;
mutable scalar d2aSave;
//CL: save the temperature for which the save coefficients (amix,dadTmix,d2adT2mix) are correct
mutable scalar TSave;
//Protected functions
//CL: function updates the coefficients (aSave, daSave, d2aSave)
inline void updateModelCoefficients(const scalar T) const;
public:
@ -96,16 +115,15 @@ public:
//- Construct from components
inline aungierRedlichKwong
(
const specie& sp,
scalar pcrit,
scalar Tcrit,
scalar azentricFactor,
scalar rhocrit
const specie& sp
);
//- Construct from Istream
aungierRedlichKwong(Istream&);
//- Construct from dictionary
//aungierRedlichKwong(const dictionary& dict);
//- Construct as named copy
inline aungierRedlichKwong(const word& name, const aungierRedlichKwong&);
@ -119,6 +137,36 @@ public:
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 Aungier Redlich Kwong factors
inline scalar a0()const;
inline scalar b()const;
inline scalar c()const;
inline scalar n()const;
//CL: return power of constants (b_, c_)
inline scalar b2()const;
inline scalar b3()const;
inline scalar b4()const;
inline scalar b5()const;
inline scalar c2()const;
//CL: Equation of state
inline scalar p(const scalar rho, const scalar T) const;
@ -184,10 +232,31 @@ public:
) const;
// I-O
//- Write to Ostream
//void write(Ostream& os) const;
// Member operators
inline void operator+=(const aungierRedlichKwong&);
// Friend operators
inline friend aungierRedlichKwong operator+
(
const aungierRedlichKwong&,
const aungierRedlichKwong&
);
inline friend aungierRedlichKwong operator*
(
const scalar s,
const aungierRedlichKwong&
);
// Ostream Operator
friend Ostream& operator<<(Ostream&, const aungierRedlichKwong&);

213
src/thermophysicalModels/specie/equationOfState/aungierRedlichKwong/aungierRedlichKwongI.H → src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/aungierRedlichKwong/aungierRedlichKwongI.H
View file

@ -42,24 +42,10 @@ namespace Foam
// Construct from components
inline aungierRedlichKwong::aungierRedlichKwong
(
const specie& sp,
scalar pcrit,
scalar Tcrit,
scalar azentricFactor,
scalar rhocrit
const specie& sp
)
:
specie(sp),
pcrit_(pcrit),
Tcrit_(Tcrit),
azentricFactor_(azentricFactor),
rhocrit_(rhocrit),
a_(0.42747*pow(this->RR,2)*pow(Tcrit_,2)/pcrit_),
b_(0.08664*this->RR*Tcrit_/pcrit_),
c_(this->RR*Tcrit_/(pcrit_+(a_/(this->W()/rhocrit_*(this->W()/rhocrit_+b_))))+b_-this->W()/rhocrit_),
n_(0.4986+1.2735*azentricFactor_+0.4754*pow(azentricFactor_,2)),
// Starting GUESS for the density by ideal gas law
rhostd_(this->rho(Pstd,Tstd,Pstd/(Tstd*this->R())))
specie(sp)
{}
@ -71,11 +57,16 @@ inline aungierRedlichKwong::aungierRedlichKwong(const word& name, const aungierR
Tcrit_(pg.Tcrit_),
azentricFactor_(pg.azentricFactor_),
rhocrit_(pg.rhocrit_),
a_(pg.a_),
a0_(pg.a0_),
b_(pg.b_),
c_(pg.c_),
n_(pg.n_),
rhostd_(pg.rhostd_)
rhostd_(pg.rhostd_),
b2_(pg.b2_),
b3_(pg.b3_),
b4_(pg.b4_),
b5_(pg.b5_),
c2_(pg.c2_)
{}
@ -95,18 +86,128 @@ inline autoPtr<aungierRedlichKwong> aungierRedlichKwong::New(Istream& is)
// * * * * * * * * * * * * * Member Functions * * * * * * * * * * * //
inline scalar aungierRedlichKwong::rhostd()const
{
return rhostd_;
}
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());
//CL: saving the temperature at which the coefficients are valid
TSave=T;
}
//CL: Model coefficient a(T)
inline scalar aungierRedlichKwong::a(const scalar T)const
{
//CL: check if a has already been calculated for this temperature
if(TSave==T)
{
return aSave;
}
//CL: If not, recalculate a(T), dadT(T) and d2adT2(T)
else
{
updateModelCoefficients(T);
return aSave;
}
}
//CL: temperature deriviative of model coefficient a(T)
inline scalar aungierRedlichKwong::dadT(const scalar T)const
{
// check if a has already been calculated for this temperature
if(TSave==T)
{
return daSave;
}
//CL: If not, recalculate a(T), dadT(T) and d2adT2(T)
else
{
updateModelCoefficients(T);
return daSave;
}
}
//CL: second order temperature deriviative of model coefficient a(T)
inline scalar aungierRedlichKwong::d2adT2(const scalar T)const
{
// check if a has already been calculated for this temperature
if(TSave==T)
{
return d2aSave;
}
//CL: If not, recalculate a(T), dadT(T) and d2adT2(T)
else
{
updateModelCoefficients(T);
return d2aSave;
}
}
//Aungier Redlich Kwong factors
inline scalar aungierRedlichKwong::a0()const
{
return a0_;
}
inline scalar aungierRedlichKwong::b()const
{
return b_;
}
inline scalar aungierRedlichKwong::c()const
{
return c_;
}
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
{
scalar Vm = this->W()/rho;
return this->RR*T/(Vm-b_+c_)
-a_*pow(T,-n_)/(pow(Tcrit_,-n_)*Vm*(Vm+b_));
return this->RR*T/(Vm-b()+c())
-a(T)/(Vm*(Vm+b()));
}
@ -114,9 +215,12 @@ 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;
return a_*pow(T,-n_)*pow(Tcrit_,n_)*(b_+2*Vm)/(pow(Vm,2)*pow((b_+Vm),2))
-this->RR*T/(pow((b_-Vm-c_),2));
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));
}
@ -125,8 +229,7 @@ inline scalar aungierRedlichKwong::dpdv(const scalar rho, const scalar T) const
inline scalar aungierRedlichKwong::dpdT(const scalar rho, const scalar T) const
{
scalar Vm = this->W()/rho;
return a_*n_*pow(T,-n_-1)*pow(Tcrit_,n_)/(Vm*(Vm+b_))
-this->RR/(b_-Vm-c_);
return this->RR/(Vm-b()+c())-dadT(T)/(Vm*(Vm+b()));
}
@ -156,8 +259,7 @@ inline scalar aungierRedlichKwong::integral_p_dv
) const
{
scalar Vm = this->W()/rho;
return -pow((T/Tcrit_),-n_)*(a_*log(Vm)/(b_)
-a_*log(b_+Vm)/b_)+this->RR*T*log(Vm-b_+c_);
return this->RR*T*log(-b()+c()+Vm)+a(T)*log(b()+Vm)/b()-a(T)*log(Vm)/b();
}
@ -170,8 +272,7 @@ inline scalar aungierRedlichKwong::integral_dpdT_dv
) const
{
scalar Vm = this->W()/rho;
return pow(T,-n_-1)*pow(Tcrit_,n_)*(a_*n_*log(Vm)/(b_)
-a_*n_*log(b_+Vm)/(b_))+ this->RR*log(-b_+c_+Vm);
return this->RR*log(-b()+c()+Vm)+dadT(T)*log(b()+Vm)/b()-dadT(T)*log(Vm)/b();
}
@ -179,7 +280,7 @@ inline scalar aungierRedlichKwong::integral_dpdT_dv
inline scalar aungierRedlichKwong::d2pdT2(const scalar rho,const scalar T) const
{
scalar Vm = this->W()/rho;
return -a_*n_*pow(T,-n_-2)*pow(Tcrit_,n_)*(n_+1)/(Vm*(b_+Vm));
return -d2adT2(T)/(Vm*(Vm+b()));
}
@ -187,9 +288,14 @@ inline scalar aungierRedlichKwong::d2pdT2(const scalar rho,const scalar T) const
inline scalar aungierRedlichKwong::d2pdv2(const scalar rho,const scalar T) const
{
scalar Vm = this->W()/rho;
return -2*a_*pow(T,-n_)*pow(Tcrit_,n_)*(pow(b_,2)
+3*b_*Vm+3*pow(Vm,2))/(pow(Vm,3)*pow((b_+Vm),3))
-2*this->RR*T/(pow((b_-Vm-c_),3));
scalar Vm2 = Vm*Vm;
scalar Vm3 = Vm*Vm*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));
}
@ -211,8 +317,11 @@ inline scalar aungierRedlichKwong::d2vdT2(const scalar rho, const scalar T) cons
inline scalar aungierRedlichKwong::d2pdvdT(const scalar rho, const scalar T) const
{
scalar Vm = this->W()/rho;
return -a_*n_*pow(T,-n_-1)*pow(Tcrit_,n_)*(b_+2*Vm)/(pow(Vm,2)*pow((b_+Vm),2))
-this->RR/(pow((b_-c_-Vm),2));
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));
}
@ -225,8 +334,7 @@ inline scalar aungierRedlichKwong::integral_d2pdT2_dv
) const
{
scalar Vm = this->W()/rho;
return pow(T,-n_-2)*pow(Tcrit_,n_)*(a_*n_*(n_+1)*log(b_+Vm)
/b_-a_*n_*(1+n_)*log(Vm)/b_);
return d2adT2(T)*log(b()+Vm)/b()-d2adT2(T)*log(Vm)/b();
}
@ -327,7 +435,7 @@ inline scalar aungierRedlichKwong::rho(
{
FatalErrorIn
(
"inline scalar redlichKwong::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);
}
@ -362,8 +470,37 @@ inline scalar aungierRedlichKwong::Z( const scalar p, const scalar T,const scala
// * * * * * * * * * * * * * * * Member Operators * * * * * * * * * * * * * //
inline void aungierRedlichKwong::operator+=(const aungierRedlichKwong& pr)
{
specie::operator+=(pr);
}
// * * * * * * * * * * * * * * * Friend Operators * * * * * * * * * * * * * //
inline aungierRedlichKwong operator+
(
const aungierRedlichKwong& pr1,
const aungierRedlichKwong& pr2
)
{
return aungierRedlichKwong
(
static_cast<const specie&>(pr1)
+ static_cast<const specie&>(pr2)
);
}
inline aungierRedlichKwong operator*
(
const scalar s,
const aungierRedlichKwong& pr
)
{
return aungierRedlichKwong(s*static_cast<const specie&>(pr));
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
} // End namespace Foam

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

@ -0,0 +1,11 @@
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

55
src/thermophysicalModels/specie/equationOfState/pengRobinson/pengRobinson.C → src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureAungierRedlichKwong/mixtureAungierRedlichKwong.C
View file

@ -23,7 +23,7 @@ License
Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
Description
Peng Robinson equation of state.
Mixture Aungier Redlich Kwong equation of state.
Author
Christian Lucas
@ -33,7 +33,7 @@ Germany
\*---------------------------------------------------------------------------*/
#include "pengRobinson.H"
#include "mixtureAungierRedlichKwong.H"
#include "IOstreams.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@ -41,44 +41,41 @@ Germany
namespace Foam
{
/* * * * * * * * * * * * * * * Private static data * * * * * * * * * * * * * */
const scalar pengRobinson::rhoMin_
(
debug::tolerances("pengRobinsonRhoMin", 1e-3)
);
const scalar pengRobinson::rhoMax_
(
debug::tolerances("pengRobinsonRhoMax", 1500)
);
// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
pengRobinson::pengRobinson(Istream& is)
mixtureAungierRedlichKwong::mixtureAungierRedlichKwong(Istream& is)
:
specie(is),
pcrit_(readScalar(is)),
Tcrit_(readScalar(is)),
azentricFactor_(readScalar(is)),
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)),
TSave(0.0),
rhostd_(this->rho(Pstd,Tstd,Pstd/(Tstd*this->R())))
aungierRedlichKwong(is),
Vcrit_(this->W()/rhocrit_),
Zcrit_(pcrit_/((this->R()*Tcrit_*rhocrit_)))
{
is.check("pengRobinson::pengRobinson(Istream& is)");
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 pengRobinson& pr)
Ostream& operator<<(Ostream& os, const mixtureAungierRedlichKwong& ark)
{
os << static_cast<const specie&>(pr)<< tab
<< pr.pcrit_ << tab<< pr.Tcrit_<< tab << pr.azentricFactor_;
os << static_cast<const specie&>(ark)<< token::SPACE;
os.check("Ostream& operator<<(Ostream& os, const pengRobinson& st)");
os.check("Ostream& operator<<(Ostream& os, const mixtureAungierRedlichKwong& st)");
return os;
}

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

@ -0,0 +1,164 @@
/*---------------------------------------------------------------------------*\
========= |
\\ / 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 Executable file
View file

@ -0,0 +1,212 @@
/*---------------------------------------------------------------------------*\
========= |
\\ / 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 Normal file
View file

@ -0,0 +1,157 @@
/*---------------------------------------------------------------------------*\
========= |
\\ / 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),
numOfComp(1),
singleComponent(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
// ************************************************************************* //

47
src/thermophysicalModels/specie/equationOfState/mixturePengRobinson/mixturePengRobinson.H → src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixturePengRobinson/mixturePengRobinson.H Executable file → Normal file
View file

@ -83,15 +83,6 @@ protected:
//CL: needs to be multiplied by this->W() to get the molar fractions
mutable DynamicList<scalar> weigths;
//CL: stores the values of a(T) of all componentes
mutable DynamicList<scalar> aComponents;
//CL: stores the values of the derivatives da/dT of all componentes
mutable DynamicList<scalar> daComponents;
//CL: stores the values of the second order derivatives d2a/dT2 of all componentes
mutable DynamicList<scalar> d2aComponents;
//CL: saves a pointer to the pure component classes of the mixture
mutable DynamicList<mixturePengRobinson*> mixtureComponents;
@ -101,8 +92,23 @@ protected:
//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
@ -119,7 +125,9 @@ public:
scalar b,
scalar Tcrit,
scalar n,
scalar rhostd
scalar rhostd,
scalar rhoMin,
scalar rhoMax
);
//- Construct from components
@ -129,12 +137,17 @@ public:
const pengRobinson& pr,
label numOfComp,
DynamicList<scalar> weigths,
DynamicList<mixturePengRobinson*> mixtureComponents
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&);
@ -146,6 +159,13 @@ public:
// 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
@ -209,6 +229,11 @@ public:
const scalar rho0
) const;
// I-O
//- Write to Ostream
//void write(Ostream& os) const;
// Member operators
inline void operator+=(const mixturePengRobinson&);

134
src/thermophysicalModels/specie/equationOfState/mixturePengRobinson/mixturePengRobinsonI.H → src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixturePengRobinson/mixturePengRobinsonI.H Executable file → Normal file
View file

@ -51,7 +51,9 @@ inline mixturePengRobinson::mixturePengRobinson
scalar b,
scalar Tcrit,
scalar n,
scalar rhostd
scalar rhostd,
scalar rhoMin,
scalar rhoMax
)
:
pengRobinson(pr),
@ -65,6 +67,8 @@ inline mixturePengRobinson::mixturePengRobinson
Tcrit_=Tcrit;
n_=n;
rhostd_=rhostd;
rhoMin_=rhoMin;
rhoMax_=rhoMax;
}
// Construct from components
@ -74,7 +78,9 @@ inline mixturePengRobinson::mixturePengRobinson
const pengRobinson& pr,
label numOfComp,
DynamicList<scalar> weigths,
DynamicList<mixturePengRobinson*> mixtureComponents
DynamicList<mixturePengRobinson*> mixtureComponents,
scalar rhoMin,
scalar rhoMax
)
:
pengRobinson(pr),
@ -85,11 +91,8 @@ inline mixturePengRobinson::mixturePengRobinson
{
TSave=0.0;
//CL: following three DynamicList have no size in the new object
//CL: resize DynamicList
aComponents.resize(numOfComp);
daComponents.resize(numOfComp);
d2aComponents.resize(numOfComp);
rhoMin_=rhoMin;
rhoMax_=rhoMax;
rhostd_=this->rho(Pstd, Tstd, Pstd*this->W()/(Tstd*this->R()));
}
@ -125,49 +128,47 @@ inline void mixturePengRobinson::updateModelCoefficients(const scalar T) const
// Checking if the mixture coefficient were already calculated for this temperature
if(TSave!=T)
{
label i,j;
label i,j,k;
aSave=0;
daSave=0;
d2aSave=0;
b_=0;
//CL: filling vector a, dadT and d2adT2
for (i=0;i<numOfComp;i++)
{
aComponents[i]=mixtureComponents[i]->a(T);
daComponents[i]=mixtureComponents[i]->dadT(T);
d2aComponents[i]=mixtureComponents[i]->d2adT2(T);
}
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
//CL: TODO: Include possibility to use coupling cofficients k_ij (see paper reference)
for (j=0;j<numOfComp;j++)
{
aSave=aSave+weigths[i]*weigths[j]*pow(aComponents[i]*aComponents[j],0.5)*this->W()*this->W();
// first and second order temperature derivative of the van der waals mixing rule for a(T)
if(i==j)
//CL: use mixture correction cofficients k_ij (see paper reference)
if(mixtureComponents[0]->realMixtureCorr_==true)
{
daSave=daSave+weigths[i]*weigths[i]*daComponents[i]*this->W()*this->W();
d2aSave=d2aSave+weigths[i]*weigths[i]*d2aComponents[i]*this->W()*this->W();
// 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
else
{
daSave=daSave+0.5*weigths[i]*weigths[j]*this->W()*this->W()
*(pow(aComponents[i]/aComponents[j],0.5)*daComponents[j]+pow(aComponents[j]/aComponents[i],0.5)*daComponents[i]);
d2aSave=d2aSave+0.5*weigths[i]*weigths[j]*this->W()*this->W()*
(
pow(aComponents[i]/aComponents[j],0.5)*d2aComponents[i]+pow(aComponents[j]/aComponents[i],0.5)*d2aComponents[j]
+0.5*pow(aComponents[i]*aComponents[j],-0.5)*(pow(daComponents[i],2)+pow(daComponents[j],2))
-0.5*daComponents[i]*daComponents[j]*(pow(aComponents[i]/aComponents[j],0.5)/aComponents[j]
+pow(aComponents[j]/aComponents[i],0.5)/aComponents[i])
);
}
aSave=aSave+amix(T,i,j);
daSave=daSave+dadTmix(T,i,j);
d2aSave=d2aSave+d2adT2mix(T,i,j);
}
}
//CL: getting b for the mixture
@ -177,11 +178,57 @@ inline void mixturePengRobinson::updateModelCoefficients(const scalar T) const
//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
@ -387,14 +434,15 @@ inline void mixturePengRobinson::operator+=(const mixturePengRobinson& pr)
//CL: increase number of Components by 1
numOfComp=numOfComp+1;
//CL: resize DynamicList so that they have a defined size in the mixture object
aComponents.resize(numOfComp);
daComponents.resize(numOfComp);
d2aComponents.resize(numOfComp);
//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(Pstd, Tstd, Pstd*this->W()/(Tstd*this->R()));
}
@ -424,7 +472,7 @@ inline mixturePengRobinson operator+
mixtureComponents[pr1.numOfComp]=pr2.mixtureComponents[0];
return mixturePengRobinson(static_cast<const pengRobinson&>(pr1)+static_cast<const pengRobinson&>(pr2),
pr1.numOfComp+1, weigths, mixtureComponents);
pr1.numOfComp+1, weigths, mixtureComponents, min(pr1.rhoMin_,pr2.rhoMin_), max(pr1.rhoMax_,pr2.rhoMax_));
}
@ -440,7 +488,7 @@ inline mixturePengRobinson operator*
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.mixtureComponents,pr.a0_,pr.b_,pr.Tcrit_,pr.n_,pr.rhostd_, pr.rhoMin_, pr.rhoMax_);
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

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

@ -0,0 +1,154 @@
/*---------------------------------------------------------------------------*\
========= |
\\ / 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
// ************************************************************************* //

34
src/thermophysicalModels/specie/equationOfState/mixtureRedlichKwong/mixtureRedlichKwong.H → src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureRedlichKwong/mixtureRedlichKwong.H Executable file → Normal file
View file

@ -76,7 +76,8 @@ class mixtureRedlichKwong
// Private functions
//CL: function updates the model coefficients (a,b) of the mixture
//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:
@ -91,6 +92,20 @@ protected:
//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
@ -105,7 +120,9 @@ public:
DynamicList<mixtureRedlichKwong*> mixtureComponents,
scalar a,
scalar b,
scalar rhostd
scalar rhostd,
scalar rhoMin,
scalar rhoMax
);
//- Construct from components
@ -115,12 +132,17 @@ public:
const redlichKwong& rK,
label numOfComp,
DynamicList<scalar> weigths,
DynamicList<mixtureRedlichKwong*> mixtureComponents
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&);
@ -130,6 +152,12 @@ public:
// 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&);

70
src/thermophysicalModels/specie/equationOfState/mixtureRedlichKwong/mixtureRedlichKwongI.H → src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureRedlichKwong/mixtureRedlichKwongI.H Executable file → Normal file
View file

@ -49,7 +49,9 @@ inline mixtureRedlichKwong::mixtureRedlichKwong
DynamicList<mixtureRedlichKwong*> mixtureComponents,
scalar a,
scalar b,
scalar rhostd
scalar rhostd,
scalar rhoMin,
scalar rhoMax
)
:
redlichKwong(rK),
@ -59,7 +61,14 @@ inline mixtureRedlichKwong::mixtureRedlichKwong
{
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
@ -69,7 +78,9 @@ inline mixtureRedlichKwong::mixtureRedlichKwong
const redlichKwong& rK,
label numOfComp,
DynamicList<scalar> weigths,
DynamicList<mixtureRedlichKwong*> mixtureComponents
DynamicList<mixtureRedlichKwong*> mixtureComponents,
scalar rhoMin,
scalar rhoMax
)
:
redlichKwong(rK),
@ -79,6 +90,12 @@ inline mixtureRedlichKwong::mixtureRedlichKwong
{
//CL: update model coefficients
updateModelCoefficients();
//CL:setting rho boundaries
rhoMin_=rhoMin;
rhoMax_=rhoMax;
//CL: calculating rho @ std
rhostd_=this->rho(Pstd, Tstd, Pstd/(Tstd*this->R()));
}
@ -110,7 +127,7 @@ inline autoPtr<mixtureRedlichKwong> mixtureRedlichKwong::New(Istream& is)
//CL: uses the van der waals mixing rule
inline void mixtureRedlichKwong::updateModelCoefficients() const
{
label i,j;
label i,j,k;
a_=0;
b_=0;
@ -119,16 +136,38 @@ inline void mixtureRedlichKwong::updateModelCoefficients() const
{
//CL: getting a for the mixture
//CL: using van der waals mixing rule
//CL: TODO: Include possibility to use coupling cofficients k_ij (see paper reference)
for (j=0;j<numOfComp;j++)
{
a_=a_+weigths[i]*weigths[j]*pow(mixtureComponents[i]->a()*mixtureComponents[j]->a(),0.5)*this->W()*this->W();
//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();
}
//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 * * * * * * * * * * * * * //
@ -155,7 +194,13 @@ inline void mixtureRedlichKwong::operator+=(const mixtureRedlichKwong& rK)
//CL: update model coefficients
updateModelCoefficients();
rhostd_=this->rho(Pstd, Tstd, Pstd/(Tstd*this->R()));
//CL:setting rho boundaries
rhoMin_=min(rhoMin_,rK.rhoMin_);
rhoMax_=max(rhoMax_,rK.rhoMax_);
//CL: calculating rho @ std
rhostd_=this->rho(Pstd, Tstd, Pstd*this->W()/(Tstd*this->R()));
}
// * * * * * * * * * * * * * * * Friend Operators * * * * * * * * * * * * * //
@ -184,7 +229,7 @@ inline mixtureRedlichKwong operator+
mixtureComponents[rK1.numOfComp]=rK2.mixtureComponents[0];
return mixtureRedlichKwong(static_cast<const redlichKwong&>(rK1)+static_cast<const redlichKwong&>(rK2),
rK1.numOfComp+1, weigths, mixtureComponents);
rK1.numOfComp+1, weigths, mixtureComponents, min(rK1.rhoMin_,rK2.rhoMin_), max(rK1.rhoMax_,rK2.rhoMax_));
}
@ -198,7 +243,8 @@ inline mixtureRedlichKwong operator*
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_);
return mixtureRedlichKwong(s*static_cast<const redlichKwong&>(rK), rK.numOfComp, weigths,
rK.mixtureComponents,rK.a_,rK.b_,rK.rhostd_, rK.rhoMin_, rK.rhoMax_);
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

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

@ -0,0 +1,157 @@
/*---------------------------------------------------------------------------*\
========= |
\\ / 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),
numOfComp(1),
singleComponent(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
// ************************************************************************* //

46
src/thermophysicalModels/specie/equationOfState/mixtureSoaveRedlichKwong/mixtureSoaveRedlichKwong.H → src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureSoaveRedlichKwong/mixtureSoaveRedlichKwong.H Executable file → Normal file
View file

@ -83,15 +83,6 @@ protected:
//CL: needs to be multiplied by this->W() to get the molar fractions
mutable DynamicList<scalar> weigths;
//CL: stores the values of a(T) of all componentes
mutable DynamicList<scalar> aComponents;
//CL: stores the values of the derivatives of da/dT of all componentes
mutable DynamicList<scalar> daComponents;
//CL: stores the values of the second order derivatives of d2a/dT2 of all componentes
mutable DynamicList<scalar> d2aComponents;
//CL: saves a pointer to the pure component classes of the mixture
mutable DynamicList<mixtureSoaveRedlichKwong*> mixtureComponents;
@ -103,6 +94,20 @@ protected:
//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
@ -119,7 +124,9 @@ public:
scalar b,
scalar Tcrit,
scalar n,
scalar rhostd
scalar rhostd,
scalar rhoMin,
scalar rhoMax
);
//- Construct from components
@ -129,12 +136,17 @@ public:
const soaveRedlichKwong& srk,
label numOfComp,
DynamicList<scalar> weigths,
DynamicList<mixtureSoaveRedlichKwong*> mixtureComponents
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&);
@ -146,6 +158,13 @@ public:
// 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
@ -209,6 +228,11 @@ public:
const scalar rho0
) const;
// I-O
//- Write to Ostream
//void write(Ostream& os) const;
// Member operators
inline void operator+=(const mixtureSoaveRedlichKwong&);

129
src/thermophysicalModels/specie/equationOfState/mixtureSoaveRedlichKwong/mixtureSoaveRedlichKwongI.H → src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureSoaveRedlichKwong/mixtureSoaveRedlichKwongI.H Executable file → Normal file
View file

@ -51,7 +51,9 @@ inline mixtureSoaveRedlichKwong::mixtureSoaveRedlichKwong
scalar b,
scalar Tcrit,
scalar n,
scalar rhostd
scalar rhostd,
scalar rhoMin,
scalar rhoMax
)
:
soaveRedlichKwong(srk),
@ -65,6 +67,8 @@ inline mixtureSoaveRedlichKwong::mixtureSoaveRedlichKwong
Tcrit_=Tcrit;
n_=n;
rhostd_=rhostd;
rhoMin_=rhoMin;
rhoMax_=rhoMax;
}
@ -75,7 +79,9 @@ inline mixtureSoaveRedlichKwong::mixtureSoaveRedlichKwong
const soaveRedlichKwong& srk,
label numOfComp,
DynamicList<scalar> weigths,
DynamicList<mixtureSoaveRedlichKwong*> mixtureComponents
DynamicList<mixtureSoaveRedlichKwong*> mixtureComponents,
scalar rhoMin,
scalar rhoMax
)
:
soaveRedlichKwong(srk),
@ -86,11 +92,8 @@ inline mixtureSoaveRedlichKwong::mixtureSoaveRedlichKwong
{
TSave=0.0;
//CL: following three DynamicList have no size in the new object
//CL: resize DynamicList
aComponents.resize(numOfComp);
daComponents.resize(numOfComp);
d2aComponents.resize(numOfComp);
rhoMin_=rhoMin;
rhoMax_=rhoMax;
rhostd_=this->rho(Pstd, Tstd, Pstd*this->W()/(Tstd*this->R()));
}
@ -128,49 +131,47 @@ inline void mixtureSoaveRedlichKwong::updateModelCoefficients(const scalar T) c
// Checking if the mixture coefficient were already calculated for this temperature
if(TSave!=T)
{
label i,j;
label i,j,k;
aSave=0;
daSave=0;
d2aSave=0;
b_=0;
//CL: filling vector a, dadT and d2adT2
for (i=0;i<numOfComp;i++)
{
aComponents[i]=mixtureComponents[i]->a(T);
daComponents[i]=mixtureComponents[i]->dadT(T);
d2aComponents[i]=mixtureComponents[i]->d2adT2(T);
}
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
//CL: TODO: Include possibility to use coupling cofficients k_ij (see paper reference)
for (j=0;j<numOfComp;j++)
{
aSave=aSave+weigths[i]*weigths[j]*pow(aComponents[i]*aComponents[j],0.5)*this->W()*this->W();
// first and second order temperature derivative of the van der waals mixing rule for a(T)
if(i==j)
//CL: use mixture correction cofficients k_ij (see paper reference)
if(mixtureComponents[0]->realMixtureCorr_==true)
{
daSave=daSave+weigths[i]*weigths[i]*daComponents[i]*this->W()*this->W();
d2aSave=d2aSave+weigths[i]*weigths[i]*d2aComponents[i]*this->W()*this->W();
// 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
else
{
daSave=daSave+0.5*weigths[i]*weigths[j]*this->W()*this->W()
*(pow(aComponents[i]/aComponents[j],0.5)*daComponents[j]+pow(aComponents[j]/aComponents[i],0.5)*daComponents[i]);
d2aSave=d2aSave+0.5*weigths[i]*weigths[j]*this->W()*this->W()*
(
pow(aComponents[i]/aComponents[j],0.5)*d2aComponents[i]+pow(aComponents[j]/aComponents[i],0.5)*d2aComponents[j]
+0.5*pow(aComponents[i]*aComponents[j],-0.5)*(pow(daComponents[i],2)+pow(daComponents[j],2))
-0.5*daComponents[i]*daComponents[j]*(pow(aComponents[i]/aComponents[j],0.5)/aComponents[j]
+pow(aComponents[j]/aComponents[i],0.5)/aComponents[i])
);
}
aSave=aSave+amix(T,i,j);
daSave=daSave+dadTmix(T,i,j);
d2aSave=d2aSave+d2adT2mix(T,i,j);
}
}
//CL: getting b for the mixture
@ -180,10 +181,53 @@ inline void mixtureSoaveRedlichKwong::updateModelCoefficients(const scalar T) c
//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
@ -390,14 +434,15 @@ inline void mixtureSoaveRedlichKwong::operator+=(const mixtureSoaveRedlichKwong&
//CL: increase number of Components by 1
numOfComp=numOfComp+1;
//CL: resize DynamicList so that they have a defined size in the mixture object
aComponents.resize(numOfComp);
daComponents.resize(numOfComp);
d2aComponents.resize(numOfComp);
//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(Pstd, Tstd, Pstd*this->W()/(Tstd*this->R()));
}
@ -428,7 +473,7 @@ inline mixtureSoaveRedlichKwong operator+
mixtureComponents[srk1.numOfComp]=srk2.mixtureComponents[0];
return mixtureSoaveRedlichKwong(static_cast<const soaveRedlichKwong&>(srk1)+static_cast<const soaveRedlichKwong&>(srk2),
srk1.numOfComp+1, weigths, mixtureComponents);
srk1.numOfComp+1, weigths, mixtureComponents, min(srk1.rhoMin_,srk2.rhoMin_), max(srk1.rhoMax_,srk2.rhoMax_));
}
@ -444,7 +489,7 @@ inline mixtureSoaveRedlichKwong operator*
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.mixtureComponents,srk.a0_,srk.b_,srk.Tcrit_,srk.n_,srk.rhostd_, srk.rhoMin_, srk.rhoMax_);
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

125
src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/pengRobinson/pengRobinson.C Executable file
View file

@ -0,0 +1,125 @@
/*---------------------------------------------------------------------------*\
========= |
\\ / 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 Robinson equation of state.
Author
Christian Lucas
Institut für Thermodynamik
Technische Universität Braunschweig
Germany
\*---------------------------------------------------------------------------*/
#include "pengRobinson.H"
#include "IOstreams.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
namespace Foam
{
// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
pengRobinson::pengRobinson(Istream& is)
:
specie(is),
pcrit_(readScalar(is)),
Tcrit_(readScalar(is)),
azentricFactor_(readScalar(is)),
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)),
TSave(0.0),
rhostd_(this->rho(Pstd,Tstd,Pstd/(Tstd*this->R()))),
//CL: Only uses the default values
rhoMin_(1e-3),
rhoMax_(1500),
b2_(pow(b_,2)),
b3_(pow(b_,3)),
b4_(pow(b_,4)),
b5_(pow(b_,5))
{
is.check("pengRobinson::pengRobinson(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
/*
pengRobinson::pengRobinson(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"))),
//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)),
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)),
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())))
{}
// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
void Foam::pengRobinson::write(Ostream& os) const
{
specie::write(os);
dictionary dict("equationOfState");
dict.add("pCritical", pcrit_);
dict.add("TCritical", Tcrit_);
dict.add("azentricFactor", azentricFactor_);
dict.add("rhoMin", rhoMin_);
dict.add("rhoMax", rhoMax_);
os << indent << dict.dictName() << dict;
}
*/
// * * * * * * * * * * * * * * * Ostream Operator * * * * * * * * * * * * * //
Ostream& operator<<(Ostream& os, const pengRobinson& pr)
{
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)");
return os;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
} // End namespace Foam
// ************************************************************************* //

35
src/thermophysicalModels/specie/equationOfState/pengRobinson/pengRobinson.H → src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/pengRobinson/pengRobinson.H
View file

@ -68,12 +68,6 @@ class pengRobinson
public specie
{
// Static Private data
//should be read from the fvSolution file where rhoMax and rhoMin values must be defined (for rhoSimpleFoam)
//HR: Don't know, yet. Let's make these static for starters
static const scalar rhoMax_;
static const scalar rhoMin_;
protected:
// Protected data
@ -86,6 +80,15 @@ protected:
scalar a0_;
mutable scalar b_;
//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_;
//CL: rhoMin and rhoMax are only used as boundaries for the bisection methode (see rho function)
scalar rhoMax_;
scalar rhoMin_;
//CL: Variables to save the values of a, dadT and d2adT2 of the mixture
//CL: Variables must corrected for changing temperatures
@ -99,7 +102,6 @@ protected:
//- 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;
@ -118,6 +120,9 @@ public:
//- Construct from Istream
pengRobinson(Istream&);
//- Construct from dictionary
//pengRobinson(const dictionary& dict);
//- Construct as named copy
inline pengRobinson(const word& name,const pengRobinson&);
@ -139,12 +144,22 @@ public:
//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 b()const;
inline scalar n()const;
//CL: return power of constants b_
inline scalar b2()const;
inline scalar b3()const;
inline scalar b4()const;
inline scalar b5()const;
//CL: Equation of state
inline scalar p(const scalar rho, const scalar T) const;
@ -214,6 +229,12 @@ public:
) const;
// I-O
//- Write to Ostream
//void write(Ostream& os) const;
// Member operators
inline void operator+=(const pengRobinson&);

76
src/thermophysicalModels/specie/equationOfState/pengRobinson/pengRobinsonI.H → src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/pengRobinson/pengRobinsonI.H
View file

@ -61,7 +61,11 @@ inline pengRobinson::pengRobinson(const word& name, const pengRobinson& pr)
b_(pr.b_),
n_(pr.n_),
rhostd_(pr.rhostd_),
TSave(0)
TSave(0),
b2_(pr.b2_),
b3_(pr.b3_),
b4_(pr.b4_),
b5_(pr.b5_)
{}
@ -166,13 +170,33 @@ 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
{
scalar Vm = this->W()/rho;
return this->RR*T/(Vm-b_)-a(T)/(pow(Vm,2)+2*b_*Vm-pow(b_,2));
return this->RR*T/(Vm-b())-a(T)/(pow(Vm,2)+2*b()*Vm-b2());
}
@ -181,19 +205,21 @@ inline scalar pengRobinson::p(const scalar rho,const scalar T) const
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;
return(
2*a(T)*
(
pow(b_,3)-pow(b_,2)*Vm-b_*pow(Vm,2)+pow(Vm,3)
b3()-b2()*Vm-b()*Vm2+Vm3
)
-this->RR*T*
(
pow(b_,4)-4*pow(b_,3)*Vm+2*pow(b_,2)*pow(Vm,2)
+4*b_*pow(Vm,3)+pow(Vm,4)
b4()-4*b3()*Vm+2*b2()*Vm2
+4*b()*Vm3+pow(Vm,4)
)
)
/(pow(b_-Vm,2)*pow(pow(b_,2)-2*b_*Vm-pow(Vm,2),2));
/(pow(b()-Vm,2)*pow(b2()-2*b()*Vm-Vm2,2));
}
@ -203,7 +229,7 @@ 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-pow(b_,2));
return this->RR/(Vm-b())-dadT(T)/(pow(Vm,2)+2*b()*Vm-b2());
}
@ -229,7 +255,8 @@ inline scalar pengRobinson::integral_p_dv(const scalar rho,const scalar T) const
{
scalar Vm = this->W()/rho;
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 -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());
}
@ -239,7 +266,8 @@ inline scalar pengRobinson::integral_dpdT_dv(const scalar rho,const scalar T) co
{
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_);
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());
}
@ -248,7 +276,7 @@ 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-pow(b_,2));
return -d2adT2(T)/(pow(Vm,2)+2*b()*Vm-b2());
}
@ -256,20 +284,24 @@ inline scalar pengRobinson::d2pdT2(const scalar rho,const scalar T) const
inline scalar pengRobinson::d2pdv2(const scalar rho,const scalar T) const
{
scalar Vm = this->W()/rho;
scalar Vm2 = Vm*Vm;
scalar Vm3 = Vm*Vm*Vm;
scalar Vm4 = Vm*Vm*Vm*Vm;
scalar Vm5 = Vm*Vm*Vm*Vm*Vm;
return 2*
(
a(T)*
(
5*pow(b_,5)-9*pow(b_,4)*Vm+4*pow(b_,2)*pow(Vm,3)+3*b_*pow(Vm,4)-3*pow(Vm,5)
5*b5()-9*b4()*Vm+4*b2()*Vm3+3*b()*Vm4-3*Vm5
)
-this->RR*T*
(
pow(b_,6)-6*pow(b_,5)*Vm+9*pow(b_,4)*pow(Vm,2)+4*pow(b_,3)*pow(Vm,3)
-9*pow(b_,2)*pow(Vm,4)-6*b_*pow(Vm,5)-pow(Vm,6)
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(pow(b_,2)-2*b_*Vm-pow(Vm,2),3));
/(pow(b()-Vm,3)*pow(b2()-2*b()*Vm-Vm2,3));
}
@ -291,19 +323,21 @@ inline scalar pengRobinson::d2vdT2(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)*
(
pow(b_,3)-pow(b_,2)*Vm-b_*pow(Vm,2)+pow(Vm,3)
b3()-b2()*Vm-b()*Vm2+Vm3
)
-this->RR*
(
pow(b_,4)-4*pow(b_,3)*Vm+2*pow(b_,2)*pow(Vm,2)
+4*b_*pow(Vm,3)+pow(Vm,4)
b4()-4*b3()*Vm+2*b2()*Vm2
+4*b()*Vm3+pow(Vm,4)
)
)
/(pow(b_-Vm,2)*pow(pow(b_,2)-2*b_*Vm-pow(Vm,2),2));
/(pow(b()-Vm,2)*pow(b2()-2*b()*Vm-Vm2,2));
}
@ -313,7 +347,7 @@ inline scalar pengRobinson::integral_d2pdT2_dv(const scalar rho,const scalar T)
{
scalar Vm = this->W()/rho;
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 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());
}
@ -342,7 +376,7 @@ inline scalar pengRobinson::rho(
const scalar rho0
) const
{
scalar molarVolumePrevIteration;
scalar molarVolume;
label iter=0;
@ -415,7 +449,7 @@ inline scalar pengRobinson::rho(
{
FatalErrorIn
(
"inline scalar redlichKwong::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);
}

62
src/thermophysicalModels/specie/equationOfState/redlichKwong/redlichKwong.C → src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/redlichKwong/redlichKwong.C
View file

@ -41,18 +41,6 @@ Germany
namespace Foam
{
/* * * * * * * * * * * * * * * Private static data * * * * * * * * * * * * * */
const scalar redlichKwong::rhoMin_
(
debug::tolerances("redlichKwongRhoMin", 1e-3)
);
const scalar redlichKwong::rhoMax_
(
debug::tolerances("redlichKwongRhoMax", 1500)
);
// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
redlichKwong::redlichKwong(Istream& is)
@ -62,25 +50,67 @@ redlichKwong::redlichKwong(Istream& is)
Tcrit_(readScalar(is)),
a_(0.42748*pow(this->RR,2)*pow(Tcrit_,2.5)/pcrit_),
b_(0.08664*this->RR*Tcrit_/pcrit_),
// Starting GUESS for the density by ideal gas law
rhostd_(this->rho(Pstd, Tstd, Pstd/(Tstd*this->R())))
//CL: Only uses the default values
rhoMin_(1e-3),
rhoMax_(1500),
b2_(pow(b_,2)),
b3_(pow(b_,3)),
b5_(pow(b_,5)),
// Starting GUESS for the density by ideal gas law
rhostd_(this->rho(Pstd, Tstd, Pstd/(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)
:
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)),
// Starting GUESS for the density by ideal gas law
rhostd_(this->rho(Pstd, Tstd, Pstd/(Tstd*this->R())))
{}
// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
void Foam::redlichKwong::write(Ostream& os) const
{
specie::write(os);
dictionary dict("equationOfState");
dict.add("pCritical", pcrit_);
dict.add("TCritical", Tcrit_);
dict.add("rhoMin", rhoMin_);
dict.add("rhoMax", rhoMax_);
os << indent << dict.dictName() << dict;
}
*/
// * * * * * * * * * * * * * * * Ostream Operator * * * * * * * * * * * * * //
Ostream& operator<<(Ostream& os, const redlichKwong& rk)
{
os << static_cast<const specie&>(rk)<< tab
os << static_cast<const specie&>(rk)<< token::SPACE
<< rk.pcrit_ << tab<< rk.Tcrit_;
os.check("Ostream& operator<<(Ostream& os, const redlichKwong& st)");
return os;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
} // End namespace Foam

32
src/thermophysicalModels/specie/equationOfState/redlichKwong/redlichKwong.H → src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/redlichKwong/redlichKwong.H
View file

@ -59,22 +59,27 @@ class redlichKwong
:
public specie
{
// Static Private data
//should be read from the fvSolution file where rhoMax and rhoMin values must be defined (for rhoSimpleFoam)
//HR: Don't know, yet. Let's make these static for starters
static const scalar rhoMax_;
static const scalar rhoMin_;
protected:
// Protected data
scalar pcrit_;
scalar Tcrit_;
//CL: rhoMin and rhoMax are only used as boundaries for the bisection methode (see rho function)
scalar rhoMax_;
scalar rhoMin_;
//-Redlich Kwong factors
mutable scalar a_;
mutable 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_;
//- Density @STD, initialise after a, b!
mutable scalar rhostd_;
@ -91,6 +96,9 @@ public:
//- Construct from Istream
redlichKwong(Istream&);
//- Construct from dictionary
//redlichKwong(const dictionary& dict);
//- Construct as named copy
inline redlichKwong(const word& name, const redlichKwong&);
@ -104,12 +112,20 @@ public:
inline scalar rhostd() const;
//Return Redlich Kwong factors
inline scalar a() const;
inline scalar b() const;
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;
@ -173,6 +189,12 @@ public:
) const;
// I-O
//- Write to Ostream
//void write(Ostream& os) const;
// Member operators
inline void operator+=(const redlichKwong&);

57
src/thermophysicalModels/specie/equationOfState/redlichKwong/redlichKwongI.H → src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/redlichKwong/redlichKwongI.H
View file

@ -57,7 +57,10 @@ inline redlichKwong::redlichKwong(const word& name, const redlichKwong& rk)
Tcrit_(rk.Tcrit_),
a_(rk.a_),
b_(rk.b_),
rhostd_(rk.rhostd_)
rhostd_(rk.rhostd_),
b2_(rk.b2_),
b3_(rk.b3_),
b5_(rk.b5_)
{}
@ -94,6 +97,22 @@ 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
@ -108,9 +127,11 @@ inline scalar redlichKwong::p(const scalar rho, const scalar T) const
inline scalar redlichKwong::dpdv(const scalar rho, const scalar T) const
{
scalar Vm = this->W()/rho;
return (a_*(pow(b_,3) - 3*b_*pow(Vm,2) + 2*pow(Vm,3))
- this->RR*pow(T,1.5)*pow(Vm,2)*(pow(b_,2) + 2*b_*Vm + pow(Vm,2)))
/(sqrt(T)*pow(Vm,2)*pow((b_ + Vm),2)*pow( (b_ - Vm),2));
scalar Vm2 = Vm*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));
}
@ -182,19 +203,22 @@ inline scalar redlichKwong::d2pdT2(const scalar rho, const scalar T) const
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;
return
(
2*(
a_*(
pow(b_,5)-3*pow(b_,3)*pow(Vm,2)
- pow(b_,2)*pow(Vm,3)
b5()-3*b3()*Vm2
- b2()*Vm3
+ 6*b_*pow(Vm,4)-3*pow(Vm,5)
)
+ this->RR*pow(T,1.5)*pow(Vm,3)*(pow(b_,3)
+ 3*pow(b_,2)*Vm
+ 3*b_*pow(Vm,2)+pow(Vm,3))
+ this->RR*pow(T,1.5)*Vm3*(b3()
+ 3*b2()*Vm
+ 3*b_*Vm2+Vm3)
)
/(sqrt(T)*pow(Vm,3)*pow((b_ + Vm),3)*pow(Vm-b_,3))
/(sqrt(T)*Vm3*pow((b_ + Vm),3)*pow(Vm-b_,3))
);
}
@ -217,13 +241,14 @@ inline scalar redlichKwong::d2vdT2(const scalar rho, const scalar T) const
inline scalar redlichKwong::d2pdvdT(const scalar rho, const scalar T) const
{
scalar Vm = this->W()/rho;
scalar Vm2 = Vm*Vm;
return
-(0.5*(
a_*(pow(b_,3) - 3*b_*pow(Vm,2) + 2*pow(Vm,3))
+ 2*this->RR*pow(T,1.5)*pow(Vm,2)*(pow(b_,2) + 2*b_*Vm + pow(Vm,2))
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)*pow(Vm,2)*pow(b_ + Vm,2)*pow(b_ - Vm,2));
/(pow(T,1.5)*Vm2*pow(b_ + Vm,2)*pow(b_ - Vm,2));
}
@ -266,7 +291,7 @@ inline scalar redlichKwong::isothermalCompressiblity
}
//- Return density [kg/m^3]on
//- Return density [kg/m^3]
inline scalar redlichKwong::rho
(
const scalar p,
@ -292,6 +317,7 @@ inline scalar redlichKwong::rho
label i=0;
do
{
//CL: modified Newton solver
molarVolume=molarVolumePrevIteration
-(
(this->p((this->W()/molarVolumePrevIteration),T) - p)
@ -302,8 +328,7 @@ inline scalar redlichKwong::rho
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;

64
src/thermophysicalModels/specie/equationOfState/soaveRedlichKwong/soaveRedlichKwong.C → src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/soaveRedlichKwong/soaveRedlichKwong.C
View file

@ -41,17 +41,6 @@ Germany
namespace Foam
{
/* * * * * * * * * * * * * * * Private static data * * * * * * * * * * * * * */
const scalar soaveRedlichKwong::rhoMin_
(
debug::tolerances("soaveRedlichKwongRhoMin", 1e-3)
);
const scalar soaveRedlichKwong::rhoMax_
(
debug::tolerances("soaveRedlichKwongRhoMax", 1500)
);
// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
soaveRedlichKwong::soaveRedlichKwong(Istream& is)
@ -63,18 +52,65 @@ soaveRedlichKwong::soaveRedlichKwong(Istream& is)
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)),
// Starting GUESS for the density by ideal gas law
rhostd_(this->rho(Pstd,Tstd,Pstd/(Tstd*this->R())))
TSave(0.0),
//CL: Only uses the default values
rhoMin_(1e-3),
rhoMax_(1500),
b2_(pow(b_,2)),
b3_(pow(b_,3)),
b5_(pow(b_,5)),
// Starting GUESS for the density by ideal gas law
rhostd_(this->rho(Pstd,Tstd,Pstd/(Tstd*this->R())))
{
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
/*
soaveRedlichKwong::soaveRedlichKwong(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"))),
//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)),
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(Pstd,Tstd,Pstd/(Tstd*this->R())))
{}
// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
void Foam::soaveRedlichKwong::write(Ostream& os) const
{
specie::write(os);
dictionary dict("equationOfState");
dict.add("pCritical", pcrit_);
dict.add("TCritical", Tcrit_);
dict.add("azentricFactor", azentricFactor_);
dict.add("rhoMin", rhoMin_);
dict.add("rhoMax", rhoMax_);
os << indent << dict.dictName() << dict;
}
*/
// * * * * * * * * * * * * * * * Ostream Operator * * * * * * * * * * * * * //
Ostream& operator<<(Ostream& os, const soaveRedlichKwong& srk)
{
os << static_cast<const specie&>(srk)<< tab
os << static_cast<const specie&>(srk)<< token::SPACE
<< srk.pcrit_ << tab<< srk.Tcrit_<<tab<<srk.azentricFactor_;
os.check("Ostream& operator<<(Ostream& os, const soaveRedlichKwong& st)");

32
src/thermophysicalModels/specie/equationOfState/soaveRedlichKwong/soaveRedlichKwong.H → src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/soaveRedlichKwong/soaveRedlichKwong.H
View file

@ -66,13 +66,6 @@ class soaveRedlichKwong
public specie
{
// Static Private data
//should be read from the fvSolution file where rhoMax and rhoMin values must be defined (for rhoSimpleFoam)
//HR: Don't know, yet. Let's make these static for starters
static const scalar rhoMax_;
static const scalar rhoMin_;
protected:
// Protected data
@ -85,6 +78,14 @@ protected:
scalar a0_;
mutable 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_;
//CL: rhoMin and rhoMax are only used as boundaries for the bisection methode (see rho function)
scalar rhoMax_;
scalar rhoMin_;
//CL: Variables to save the values of a, dadT and d2adT2 of the mixture
//CL: Variables must corrected for changing temperatures
@ -117,6 +118,9 @@ public:
//- Construct from Istream
soaveRedlichKwong(Istream&);
//- Construct from dictionary
//soaveRedlichKwong(const dictionary& dict);
//- Construct as named copy
inline soaveRedlichKwong(const word& name,const soaveRedlichKwong&);
@ -138,12 +142,20 @@ public:
//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 b()const;
inline scalar n()const;
//CL: return power of constants b_
inline scalar b2()const;
inline scalar b3()const;
inline scalar b5()const;
//CL: Equation of state
inline scalar p(const scalar rho, const scalar T) const;
@ -209,6 +221,12 @@ public:
) const;
// I-O
//- Write to Ostream
//void write(Ostream& os) const;
// Member operators

47
src/thermophysicalModels/specie/equationOfState/soaveRedlichKwong/soaveRedlichKwongI.H → src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/soaveRedlichKwong/soaveRedlichKwongI.H
View file

@ -62,7 +62,10 @@ inline soaveRedlichKwong::soaveRedlichKwong(const word& name,const soaveRedlich
b_(srk.b_),
n_(srk.n_),
rhostd_(srk.rhostd_),
TSave(0)
TSave(0),
b2_(srk.b2_),
b3_(srk.b3_),
b5_(srk.b5_)
{}
@ -167,6 +170,22 @@ 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
@ -186,13 +205,14 @@ inline scalar soaveRedlichKwong::p(const scalar rho,const scalar T) const
inline scalar soaveRedlichKwong::dpdv(const scalar rho, const scalar T) const
{
scalar Vm = this->W()/rho;
scalar Vm2 = Vm*Vm;
return
(
a(T)*(pow(b_,3)-3*b_*pow(Vm,2)+2*pow(Vm,3))
-this->RR*T*pow(Vm,2)*(pow(b_,2)+2*b_*Vm+pow(Vm,2))
a(T)*(b3()-3*b_*Vm2+2*pow(Vm,3))
-this->RR*T*Vm2*(b2()+2*b_*Vm+Vm2)
)
/(pow(Vm,2)*pow(b_+Vm,2)*pow(b_-Vm,2));
/(Vm2*pow(b_+Vm,2)*pow(b_-Vm,2));
}
@ -260,20 +280,22 @@ inline scalar soaveRedlichKwong::d2pdT2(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;
return
2*
(
a(T)*
(
pow(b_,5)-3*pow(b_,3)*pow(Vm,2)-pow(b_,2)*pow(Vm,3)+6*b_*pow(Vm,4)-3*pow(Vm,5)
b5()-3*b3()*Vm2-b2()*Vm3+6*b_*pow(Vm,4)-3*pow(Vm,5)
)
+this->RR*T*pow(Vm,3)*
+this->RR*T*Vm3*
(
pow(b_,3)+3*pow(b_,2)*Vm+3*b_*pow(Vm,2)+pow(Vm,3)
b3()+3*b2()*Vm+3*b_*Vm2+Vm3
)
)
/(pow(Vm,3)*pow(b_+Vm,3)*pow(Vm-b_,3));
/(Vm3*pow(b_+Vm,3)*pow(Vm-b_,3));
}
@ -295,13 +317,14 @@ inline scalar soaveRedlichKwong::d2vdT2(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;
return
(
dadT(T)*(pow(b_,3)-3*b_*pow(Vm,2)+2*pow(Vm,3))
-this->RR*pow(Vm,2)*(pow(b_,2)+2*b_*Vm+pow(Vm,2))
dadT(T)*(b3()-3*b_*Vm2+2*pow(Vm,3))
-this->RR*Vm2*(b2()+2*b_*Vm+Vm2)
)
/(pow(Vm,2)*pow(b_+Vm,2)*pow(b_-Vm,2));
/(Vm2*pow(b_+Vm,2)*pow(b_-Vm,2));
}
@ -411,7 +434,7 @@ inline scalar soaveRedlichKwong::rho(
{
FatalErrorIn
(
"inline scalar redlichKwong::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);
}

83
src/thermophysicalModels/specie/equationOfState/mixturePengRobinson/mixturePengRobinson.C
View file

@ -1,83 +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),
numOfComp(1),
singleComponent(1)
{
//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);
aComponents.setSize(10);
daComponents.setSize(10);
d2aComponents.setSize(10);
//Save a pointer of this object in the mixtureComponents array
mixtureComponents[0]=this;
is.check("mixturePengRobinson::mixturePengRobinson(Istream& is)");
}
// * * * * * * * * * * * * * * * Ostream Operator * * * * * * * * * * * * * //
Ostream& operator<<(Ostream& os, const mixturePengRobinson& pr)
{
os << static_cast<const pengRobinson&>(pr)<< tab;
os.check("Ostream& operator<<(Ostream& os, const mixturePengRobinson& st)");
return os;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
} // End namespace Foam
// ************************************************************************* //

78
src/thermophysicalModels/specie/equationOfState/mixtureRedlichKwong/mixtureRedlichKwong.C
View file

@ -1,78 +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: set size of weigths and 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("mixtureRedlichKwong::mixtureRedlichKwong(Istream& is)");
}
// * * * * * * * * * * * * * * * Ostream Operator * * * * * * * * * * * * * //
Ostream& operator<<(Ostream& os, const mixtureRedlichKwong& rk)
{
os << static_cast<const redlichKwong&>(rk)<< tab;
os.check("Ostream& operator<<(Ostream& os, const mixtureRedlichKwong& st)");
return os;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
} // End namespace Foam
// ************************************************************************* //

82
src/thermophysicalModels/specie/equationOfState/mixtureSoaveRedlichKwong/mixtureSoaveRedlichKwong.C
View file

@ -1,82 +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),
numOfComp(1),
singleComponent(1)
{
//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);
aComponents.setSize(10);
daComponents.setSize(10);
d2aComponents.setSize(10);
//Save a pointer of this object in the mixtureComponents array
mixtureComponents[0]=this;
is.check("mixtureSoaveRedlichKwong::mixtureSoaveRedlichKwong(Istream& is)");
}
// * * * * * * * * * * * * * * * Ostream Operator * * * * * * * * * * * * * //
Ostream& operator<<(Ostream& os, const mixtureSoaveRedlichKwong& srk)
{
os << static_cast<const soaveRedlichKwong&>(srk)<< tab;
os.check("Ostream& operator<<(Ostream& os, const mixtureSoaveRedlichKwong& st)");
return os;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
} // End namespace Foam
// ************************************************************************* //

0
src/thermophysicalModels/specie/thermo/nasaHeatCapacityPolynomial/nasaHeatCapacityPolynomial.C → src/thermophysicalModels/specie/thermo/realGasThermo/nasaHeatCapacityPolynomial/nasaHeatCapacityPolynomial.C
View file

0
src/thermophysicalModels/specie/thermo/nasaHeatCapacityPolynomial/nasaHeatCapacityPolynomial.H → src/thermophysicalModels/specie/thermo/realGasThermo/nasaHeatCapacityPolynomial/nasaHeatCapacityPolynomial.H
View file

0
src/thermophysicalModels/specie/thermo/nasaHeatCapacityPolynomial/nasaHeatCapacityPolynomialI.H → src/thermophysicalModels/specie/thermo/realGasThermo/nasaHeatCapacityPolynomial/nasaHeatCapacityPolynomialI.H
View file

0
src/thermophysicalModels/specie/thermo/realGasSpecieThermo/realGasSpecieThermo.C → src/thermophysicalModels/specie/thermo/realGasThermo/realGasSpecieThermo/realGasSpecieThermo.C
View file

0
src/thermophysicalModels/specie/thermo/realGasSpecieThermo/realGasSpecieThermo.H → src/thermophysicalModels/specie/thermo/realGasThermo/realGasSpecieThermo/realGasSpecieThermo.H
View file

0
src/thermophysicalModels/specie/thermo/realGasSpecieThermo/realGasSpecieThermoI.H → src/thermophysicalModels/specie/thermo/realGasThermo/realGasSpecieThermo/realGasSpecieThermoI.H
View file

10
tutorials/compressible/rhoPisoFoam/ras/pipe/0/T → tutorials/compressible/realFluidPisoFoam/ras/backStep/0.org/T
View file

@ -21,25 +21,25 @@ internalField uniform 333.15;
boundaryField
{
INLET
inlet
{
type fixedValue;
value uniform 333.15;
}
OUTLET
outlet
{
type zeroGradient;
}
WALL_1
upperWall
{
type zeroGradient;
}
WALL_2
lowerWall
{
type zeroGradient;
}
frontAndBackPlanes
frontAndBack
{
type empty;
}

17
tutorials/compressible/rhoPisoFoam/ras/pipe/0/U → tutorials/compressible/realFluidPisoFoam/ras/backStep/0.org/U
View file

@ -17,32 +17,31 @@ FoamFile
dimensions [0 1 -1 0 0 0 0];
internalField uniform (5 0 0);
internalField uniform (0 0 0);
boundaryField
{
INLET
inlet
{
type inletOutlet;
inletValue uniform (5 0 0);
value uniform (5 0 0);
type pressureInletVelocity;
value uniform (3.5 0 0);
}
OUTLET
outlet
{
type zeroGradient;
}
WALL_1
upperWall
{
type fixedValue;
value uniform (0 0 0);
}
WALL_2
lowerWall
{
type fixedValue;
value uniform (0 0 0);
}
frontAndBackPlanes
frontAndBack
{
type empty;
}

16
tutorials/compressible/rhoPisoFoam/ras/pipe/0/epsilon → tutorials/compressible/realFluidPisoFoam/ras/backStep/0.org/epsilon Executable file → Normal file
View file

@ -1,8 +1,8 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM Extend Project: Open source CFD |
| \\ / O peration | Version: 1.6-ext |
| \\ / A nd | Web: www.extend-project.de |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.1.1 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
@ -21,7 +21,7 @@ internalField uniform 1120;
boundaryField
{
WALL_1
upperWall
{
type compressible::epsilonWallFunction;
Cmu 0.09;
@ -29,7 +29,7 @@ boundaryField
E 9.8;
value uniform 1120;
}
WALL_2
lowerWall
{
type compressible::epsilonWallFunction;
Cmu 0.09;
@ -37,18 +37,18 @@ boundaryField
E 9.8;
value uniform 1120;
}
INLET
inlet
{
type fixedValue;
value uniform 1120;
}
OUTLET
outlet
{
type inletOutlet;
inletValue uniform 1120;
value uniform 1120;
}
frontAndBackPlanes
frontAndBack
{
type empty;
}

18
tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/0/k → tutorials/compressible/realFluidPisoFoam/ras/backStep/0.org/k Executable file → Normal file
View file

@ -1,8 +1,8 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM Extend Project: Open source CFD |
| \\ / O peration | Version: 1.6-ext |
| \\ / A nd | Web: www.extend-project.de |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.1.1 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
@ -21,27 +21,29 @@ internalField uniform 5;
boundaryField
{
WALL_1
upperWall
{
type compressible::kqRWallFunction;
value uniform 5;
}
WALL_2
lowerWall
{
type compressible::kqRWallFunction;
value uniform 5;
}
INLET
inlet
{
type turbulentIntensityKineticEnergyInlet;
intensity 0.01;
U U;
phi phi;
value uniform 5;
}
OUTLET
outlet
{
type zeroGradient;
}
frontAndBackPlanes
frontAndBack
{
type empty;
}

14
tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/0/p → tutorials/compressible/realFluidPisoFoam/ras/backStep/0.org/p
View file

@ -21,30 +21,30 @@ internalField uniform 80e5;
boundaryField
{
INLET
inlet
{
type totalPressure;
rho rho;
psi none;
gamma 1.4;
p0 uniform 8.01e+06;
value uniform 8.01e+06;
p0 uniform 80.01e5;
value uniform 80.01e5;
}
OUTLET
outlet
{
type fixedValue;
value uniform 8e+06;
}
WALL_1
upperWall
{
type zeroGradient;
}
WALL_2
lowerWall
{
type zeroGradient;
}
frontAndBackPlanes
frontAndBack
{
type empty;
}

24
tutorials/compressible/rhoPisoFoam/ras/pipe/0/p → tutorials/compressible/realFluidPisoFoam/ras/backStep/0/T
View file

@ -11,35 +11,35 @@ FoamFile
format ascii;
class volScalarField;
location "0";
object p;
object T;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [1 -1 -2 0 0 0 0];
dimensions [0 0 0 1 0 0 0];
internalField uniform 80e5;
internalField uniform 333.15;
boundaryField
{
INLET
{
type zeroGradient;
}
OUTLET
inlet
{
type fixedValue;
value uniform 8e+06;
value uniform 333.15;
}
outlet
{
type zeroGradient;
}
WALL_1
upperWall
{
type zeroGradient;
}
WALL_2
lowerWall
{
type zeroGradient;
}
frontAndBackPlanes
frontAndBack
{
type empty;
}

18
tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/0/U → tutorials/compressible/realFluidPisoFoam/ras/backStep/0/U
View file

@ -17,33 +17,31 @@ FoamFile
dimensions [0 1 -1 0 0 0 0];
internalField uniform (4.8 0 0);
internalField uniform (0 0 0);
boundaryField
{
INLET
inlet
{
type pressureInletVelocity;
value uniform (4.8 0 0);
value uniform (3.5 0 0);
}
OUTLET
outlet
{
type inletOutlet;
inletValue uniform (0 0 0);
value uniform (4.8 0 0);
type zeroGradient;
}
WALL_1
upperWall
{
type fixedValue;
value uniform (0 0 0);
}
WALL_2
lowerWall
{
type fixedValue;
value uniform (0 0 0);
}
frontAndBackPlanes
frontAndBack
{
type empty;
}

16
tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/0/epsilon → tutorials/compressible/realFluidPisoFoam/ras/backStep/0/epsilon Executable file → Normal file
View file

@ -1,8 +1,8 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM Extend Project: Open source CFD |
| \\ / O peration | Version: 1.6-ext |
| \\ / A nd | Web: www.extend-project.de |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.1.1 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
@ -21,7 +21,7 @@ internalField uniform 1120;
boundaryField
{
WALL_1
upperWall
{
type compressible::epsilonWallFunction;
Cmu 0.09;
@ -29,7 +29,7 @@ boundaryField
E 9.8;
value uniform 1120;
}
WALL_2
lowerWall
{
type compressible::epsilonWallFunction;
Cmu 0.09;
@ -37,18 +37,18 @@ boundaryField
E 9.8;
value uniform 1120;
}
INLET
inlet
{
type fixedValue;
value uniform 1120;
}
OUTLET
outlet
{
type inletOutlet;
inletValue uniform 1120;
value uniform 1120;
}
frontAndBackPlanes
frontAndBack
{
type empty;
}

18
tutorials/compressible/rhoPisoFoam/ras/pipe/0/k → tutorials/compressible/realFluidPisoFoam/ras/backStep/0/k Executable file → Normal file
View file

@ -1,8 +1,8 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM Extend Project: Open source CFD |
| \\ / O peration | Version: 1.6-ext |
| \\ / A nd | Web: www.extend-project.de |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.1.1 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
@ -21,27 +21,29 @@ internalField uniform 5;
boundaryField
{
WALL_1
upperWall
{
type compressible::kqRWallFunction;
value uniform 5;
}
WALL_2
lowerWall
{
type compressible::kqRWallFunction;
value uniform 5;
}
INLET
inlet
{
type turbulentIntensityKineticEnergyInlet;
intensity 0.01;
U U;
phi phi;
value uniform 5;
}
OUTLET
outlet
{
type zeroGradient;
}
frontAndBackPlanes
frontAndBack
{
type empty;
}

31
tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/0/T → tutorials/compressible/realFluidPisoFoam/ras/backStep/0/p
View file

@ -11,37 +11,40 @@ FoamFile
format ascii;
class volScalarField;
location "0";
object T;
object p;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 0 0 1 0 0 0];
dimensions [1 -1 -2 0 0 0 0];
internalField uniform 533.15;
internalField uniform 80e5;
boundaryField
{
INLET
inlet
{
type totalPressure;
rho rho;
psi none;
gamma 1.4;
p0 uniform 80.01e5;
value uniform 80.01e5;
}
outlet
{
type fixedValue;
value uniform 533.15;
}
OUTLET
{
type inletOutlet;
inletValue uniform 533.15;
value uniform 533.15;
value uniform 8e+06;
}
WALL_1
upperWall
{
type zeroGradient;
}
WALL_2
lowerWall
{
type zeroGradient;
}
frontAndBackPlanes
frontAndBack
{
type empty;
}

9
tutorials/compressible/realFluidPisoFoam/ras/backStep/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`

0
tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/constant/RASProperties → tutorials/compressible/realFluidPisoFoam/ras/backStep/constant/RASProperties
View file

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

@ -0,0 +1,173 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.1.1 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ 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
(
);
// ************************************************************************* //

48
tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/constant/polyMesh/boundary → tutorials/compressible/realFluidPisoFoam/ras/backStep/constant/polyMesh/boundary Executable file → Normal file
View file

@ -1,8 +1,8 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM Extend Project: Open source CFD |
| \\ / O peration | Version: 1.6-ext |
| \\ / A nd | Web: www.extend-project.de |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.1.1 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
@ -17,35 +17,35 @@ FoamFile
5
(
WALL_1
{
type wall;
nFaces 99;
startFace 3644;
}
WALL_2
{
type wall;
nFaces 99;
startFace 3743;
}
INLET
inlet
{
type patch;
nFaces 19;
startFace 3842;
nFaces 30;
startFace 24170;
}
OUTLET
outlet
{
type patch;
nFaces 19;
startFace 3861;
nFaces 57;
startFace 24200;
}
frontAndBackPlanes
upperWall
{
type wall;
nFaces 223;
startFace 24257;
}
lowerWall
{
type wall;
nFaces 250;
startFace 24480;
}
frontAndBack
{
type empty;
nFaces 3762;
startFace 3880;
nFaces 24450;
startFace 24730;
}
)

0
tutorials/compressible/rhoPisoFoam/ras/pipe/constant/thermophysicalProperties → tutorials/compressible/realFluidPisoFoam/ras/backStep/constant/thermophysicalProperties
View file

0
tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/constant/turbulenceProperties → tutorials/compressible/realFluidPisoFoam/ras/backStep/constant/turbulenceProperties
View file

8
tutorials/compressible/rhoPisoFoam/ras/pipe/system/controlDict → tutorials/compressible/realFluidPisoFoam/ras/backStep/system/controlDict
View file

@ -15,12 +15,10 @@ FoamFile
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
application rhoPisoFoam;
application realFluidPisoFoam;
startFrom latestTime;
//startTime 0;
stopAt endTime;
endTime 0.5;
@ -29,7 +27,7 @@ deltaT 1e-5;
writeControl runTime;
writeInterval 1e-2;
writeInterval 1e-2;
purgeWrite 0;
@ -45,7 +43,7 @@ timePrecision 10;
adjustTimeStep yes;
maxCo 0.5;
maxCo 0.5;
maxDeltaT 1e-2;

2
tutorials/compressible/rhoPisoFoam/ras/pipe/system/fvSchemes → tutorials/compressible/realFluidPisoFoam/ras/backStep/system/fvSchemes
View file

@ -28,7 +28,7 @@ gradSchemes
divSchemes
{
default none;
default Gauss linear;
div(phi,U) Gauss limitedLinearV 1;
div(phid,p) Gauss limitedLinear 1;
div(phiU,p) Gauss linear;

0
tutorials/compressible/rhoPisoFoam/ras/pipe/system/fvSolution → tutorials/compressible/realFluidPisoFoam/ras/backStep/system/fvSolution
View file

39
tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0.org/T Normal file
View file

@ -0,0 +1,39 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.1.x |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
object T;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 0 0 1 0 0 0];
internalField uniform 300;
boundaryField
{
movingWall
{
type zeroGradient;
}
fixedWalls
{
type zeroGradient;
}
frontAndBack
{
type empty;
}
}
// ************************************************************************* //

43
tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0.org/U Normal file
View file

@ -0,0 +1,43 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.1.x |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volVectorField;
object U;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 1 -1 0 0 0 0];
internalField uniform (0 0 0);
boundaryField
{
movingWall
{
type fixedValue;
// Field Value
value uniform (1 0 0);
}
fixedWalls
{
type fixedValue;
// Field Value
value uniform (0 0 0);
}
frontAndBack
{
type empty;
}
}
// ************************************************************************* //

43
tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0.org/epsilon Normal file
View file

@ -0,0 +1,43 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.1.x |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object epsilon;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [ 0 2 -3 0 0 0 0 ];
internalField uniform 0.000765;
boundaryField
{
movingWall
{
type compressible::epsilonWallFunction;
value uniform 0;
}
fixedWalls
{
type compressible::epsilonWallFunction;
value uniform 0;
}
frontAndBack
{
type empty;
}
}
// ************************************************************************* //

41
tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0.org/k Normal file
View file

@ -0,0 +1,41 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.1.x |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object k;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 2 -2 0 0 0 0];
internalField uniform 0.00325;
boundaryField
{
movingWall
{
type compressible::kqRWallFunction;
value uniform 0.00325;
}
fixedWalls
{
type compressible::kqRWallFunction;
value uniform 0.00325;
}
frontAndBack
{
type empty;
}
}
// ************************************************************************* //

47
tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0.org/omega Normal file
View file

@ -0,0 +1,47 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.1.x |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object omega;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 0 -1 0 0 0 0];
internalField uniform 2.6;
boundaryField
{
movingWall
{
type compressible::omegaWallFunction;
Cmu 0.09;
kappa 0.41;
E 9.8;
value uniform 2.6;
}
fixedWalls
{
type compressible::omegaWallFunction;
Cmu 0.09;
kappa 0.41;
E 9.8;
value uniform 2.6;
}
frontAndBack
{
type empty;
}
}
// ************************************************************************* //

39
tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0.org/p Normal file
View file

@ -0,0 +1,39 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.1.x |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
object p;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [1 -1 -2 0 0 0 0];
internalField uniform 100000;
boundaryField
{
movingWall
{
type zeroGradient;
}
fixedWalls
{
type zeroGradient;
}
frontAndBack
{
type empty;
}
}
// ************************************************************************* //

39
tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0/T Normal file
View file

@ -0,0 +1,39 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.1.x |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
object T;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 0 0 1 0 0 0];
internalField uniform 300;
boundaryField
{
movingWall
{
type zeroGradient;
}
fixedWalls
{
type zeroGradient;
}
frontAndBack
{
type empty;
}
}
// ************************************************************************* //

43
tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0/U Normal file
View file

@ -0,0 +1,43 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.1.x |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volVectorField;
object U;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 1 -1 0 0 0 0];
internalField uniform (0 0 0);
boundaryField
{
movingWall
{
type fixedValue;
// Field Value
value uniform (1 0 0);
}
fixedWalls
{
type fixedValue;
// Field Value
value uniform (0 0 0);
}
frontAndBack
{
type empty;
}
}
// ************************************************************************* //

43
tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0/epsilon Normal file
View file

@ -0,0 +1,43 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.1.x |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object epsilon;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [ 0 2 -3 0 0 0 0 ];
internalField uniform 0.000765;
boundaryField
{
movingWall
{
type compressible::epsilonWallFunction;
value uniform 0;
}
fixedWalls
{
type compressible::epsilonWallFunction;
value uniform 0;
}
frontAndBack
{
type empty;
}
}
// ************************************************************************* //

41
tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0/k Normal file
View file

@ -0,0 +1,41 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.1.x |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object k;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 2 -2 0 0 0 0];
internalField uniform 0.00325;
boundaryField
{
movingWall
{
type compressible::kqRWallFunction;
value uniform 0.00325;
}
fixedWalls
{
type compressible::kqRWallFunction;
value uniform 0.00325;
}
frontAndBack
{
type empty;
}
}
// ************************************************************************* //

47
tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0/omega Normal file
View file

@ -0,0 +1,47 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.1.x |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object omega;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 0 -1 0 0 0 0];
internalField uniform 2.6;
boundaryField
{
movingWall
{
type compressible::omegaWallFunction;
Cmu 0.09;
kappa 0.41;
E 9.8;
value uniform 2.6;
}
fixedWalls
{
type compressible::omegaWallFunction;
Cmu 0.09;
kappa 0.41;
E 9.8;
value uniform 2.6;
}
frontAndBack
{
type empty;
}
}
// ************************************************************************* //

39
tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0/p Normal file
View file

@ -0,0 +1,39 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.1.x |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
object p;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [1 -1 -2 0 0 0 0];
internalField uniform 100000;
boundaryField
{
movingWall
{
type zeroGradient;
}
fixedWalls
{
type zeroGradient;
}
frontAndBack
{
type empty;
}
}
// ************************************************************************* //

9
tutorials/compressible/realFluidPisoFoam/ras/cavity_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`

2
tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/README → tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/README
View file

@ -14,7 +14,7 @@ Important files in this case:
1. fvSolution
PISO subdict --> see the realFluid --> this must be true (see modification in the pEqn of rhoPisoFoam)
PISO subdict --> see the realFluid --> this must be true (see modification in the pEqn of realFluidPisoFoam)
2. controlDict:

0
tutorials/compressible/rhoPisoFoam/ras/pipe/constant/RASProperties → tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/constant/RASProperties
View file

75
tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/constant/polyMesh/blockMeshDict Normal file
View file

@ -0,0 +1,75 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.1.x |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
object blockMeshDict;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
convertToMeters 0.1;
vertices
(
(0 0 0)
(1 0 0)
(1 1 0)
(0 1 0)
(0 0 0.1)
(1 0 0.1)
(1 1 0.1)
(0 1 0.1)
);
blocks
(
hex (0 1 2 3 4 5 6 7) (20 20 1) simpleGrading (1 1 1)
);
edges
(
);
boundary
(
movingWall
{
type wall;
faces
(
(3 7 6 2)
);
}
fixedWalls
{
type wall;
faces
(
(0 4 7 3)
(2 6 5 1)
(1 5 4 0)
);
}
frontAndBack
{
type empty;
faces
(
(0 3 2 1)
(4 5 6 7)
);
}
);
mergePatchPairs
(
);
// ************************************************************************* //

40
tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/constant/polyMesh/boundary Normal file
View file

@ -0,0 +1,40 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.1.1 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class polyBoundaryMesh;
location "constant/polyMesh";
object boundary;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
3
(
movingWall
{
type wall;
nFaces 20;
startFace 760;
}
fixedWalls
{
type wall;
nFaces 60;
startFace 780;
}
frontAndBack
{
type empty;
nFaces 800;
startFace 840;
}
)
// ************************************************************************* //

0
tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/constant/thermophysicalProperties → tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/constant/thermophysicalProperties
View file

0
tutorials/compressible/rhoPisoFoam/ras/pipe/constant/turbulenceProperties → tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/constant/turbulenceProperties
View file

12
tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/system/controlDict → tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/system/controlDict
View file

@ -15,21 +15,20 @@ FoamFile
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
application rhoPisoFoam;
application realFluidPisoFoam;
startFrom latestTime;
//startTime 0;
stopAt endTime;
endTime 2.5;
endTime 0.5;
deltaT 1e-5;
writeControl runTime;
writeInterval 1e-2;
writeInterval 0.1ls
;
purgeWrite 0;
@ -45,12 +44,13 @@ timePrecision 10;
adjustTimeStep yes;
maxCo 0.5;
maxCo 0.5;
maxDeltaT 1e-3;
runTimeModifiable yes;
//CL: load libraries need for the water properties
libs
(
"libIAPWSThermo.so"

2
tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/system/fvSchemes → tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/system/fvSchemes
View file

@ -28,7 +28,7 @@ gradSchemes
divSchemes
{
default none;
default Gauss linear;
div(phi,U) Gauss limitedLinearV 0.5;
div(phid,p) Gauss limitedLinear 0.5;
div(phiU,p) Gauss limitedLinear 0.5;

0
tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/system/fvSolution → tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/system/fvSolution
View file

BIN
tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/constant/.RASProperties.swp
View file

Binary file not shown.

21
tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/constant/polyMesh/cellZones
View file

@ -1,21 +0,0 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM Extend Project: Open source CFD |
| \\ / O peration | Version: 1.6-ext |
| \\ / A nd | Web: www.extend-project.de |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class regIOobject;
location "constant/polyMesh";
object cellZones;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
0
()
// ************************************************************************* //

21
tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/constant/polyMesh/faceZones
View file

@ -1,21 +0,0 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM Extend Project: Open source CFD |
| \\ / O peration | Version: 1.6-ext |
| \\ / A nd | Web: www.extend-project.de |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class regIOobject;
location "constant/polyMesh";
object faceZones;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
0
()
// ************************************************************************* //

7666
tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/constant/polyMesh/faces
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3669
tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/constant/polyMesh/neighbour
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7667
tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/constant/polyMesh/owner
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File diff suppressed because it is too large Load diff

21
tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/constant/polyMesh/pointZones
View file

@ -1,21 +0,0 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM Extend Project: Open source CFD |
| \\ / O peration | Version: 1.6-ext |
| \\ / A nd | Web: www.extend-project.de |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class regIOobject;
location "constant/polyMesh";
object pointZones;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
0
()
// ************************************************************************* //

4024
tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/constant/polyMesh/points
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40
tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/constant/polyMesh/zoneToPatchName
View file

@ -1,40 +0,0 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM Extend Project: Open source CFD |
| \\ / O peration | Version: 1.6-ext |
| \\ / A nd | Web: www.extend-project.de |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class wordList;
location "constant/polyMesh";
object zoneToPatchName;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
16
(
unknown
unknown
unknown
unknown
unknown
unknown
unknown
unknown
unknown
unknown
unknown
int_SOLID
WALL_1
WALL_2
INLET
OUTLET
)
// ************************************************************************* //

52
tutorials/compressible/rhoPisoFoam/ras/pipe/constant/polyMesh/boundary
View file

@ -1,52 +0,0 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM Extend Project: Open source CFD |
| \\ / O peration | Version: 1.6-ext |
| \\ / A nd | Web: www.extend-project.de |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class polyBoundaryMesh;
location "constant/polyMesh";
object boundary;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
5
(
WALL_1
{
type wall;
nFaces 99;
startFace 3644;
}
WALL_2
{
type wall;
nFaces 99;
startFace 3743;
}
INLET
{
type patch;
nFaces 19;
startFace 3842;
}
OUTLET
{
type patch;
nFaces 19;
startFace 3861;
}
frontAndBackPlanes
{
type empty;
nFaces 3762;
startFace 3880;
}
)
// ************************************************************************* //

21
tutorials/compressible/rhoPisoFoam/ras/pipe/constant/polyMesh/cellZones
View file

@ -1,21 +0,0 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM Extend Project: Open source CFD |
| \\ / O peration | Version: 1.6-ext |
| \\ / A nd | Web: www.extend-project.de |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class regIOobject;
location "constant/polyMesh";
object cellZones;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
0
()
// ************************************************************************* //

21
tutorials/compressible/rhoPisoFoam/ras/pipe/constant/polyMesh/faceZones
View file

@ -1,21 +0,0 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM Extend Project: Open source CFD |
| \\ / O peration | Version: 1.6-ext |
| \\ / A nd | Web: www.extend-project.de |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class regIOobject;
location "constant/polyMesh";
object faceZones;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
0
()
// ************************************************************************* //

7666
tutorials/compressible/rhoPisoFoam/ras/pipe/constant/polyMesh/faces
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3669
tutorials/compressible/rhoPisoFoam/ras/pipe/constant/polyMesh/neighbour
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7667
tutorials/compressible/rhoPisoFoam/ras/pipe/constant/polyMesh/owner
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