diff --git a/applications/solvers/compressible/realFluidPisoFoam/Make/files b/applications/solvers/compressible/realFluidPisoFoam/Make/files new file mode 100644 index 000000000..9e9cf08de --- /dev/null +++ b/applications/solvers/compressible/realFluidPisoFoam/Make/files @@ -0,0 +1,3 @@ +realFluidPisoFoam.C + +EXE = $(FOAM_APPBIN)/realFluidPisoFoam diff --git a/applications/solvers/compressible/realFluidPisoFoam/Make/options b/applications/solvers/compressible/realFluidPisoFoam/Make/options new file mode 100644 index 000000000..3ae0c0cb7 --- /dev/null +++ b/applications/solvers/compressible/realFluidPisoFoam/Make/options @@ -0,0 +1,14 @@ +EXE_INC = \ + -I$(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 diff --git a/applications/solvers/compressible/realFluidPisoFoam/UEqn.H b/applications/solvers/compressible/realFluidPisoFoam/UEqn.H new file mode 100644 index 000000000..64dd52b1b --- /dev/null +++ b/applications/solvers/compressible/realFluidPisoFoam/UEqn.H @@ -0,0 +1,11 @@ + fvVectorMatrix UEqn + ( + fvm::ddt(rho, U) + + fvm::div(phi, U) + + turbulence->divDevRhoReff(U) + ); + + if (momentumPredictor) + { + solve(UEqn == -fvc::grad(p)); + } diff --git a/applications/solvers/compressible/realFluidPisoFoam/createFields.H b/applications/solvers/compressible/realFluidPisoFoam/createFields.H new file mode 100644 index 000000000..f514ce6e5 --- /dev/null +++ b/applications/solvers/compressible/realFluidPisoFoam/createFields.H @@ -0,0 +1,61 @@ + Info<< "Reading thermophysical properties\n" << endl; + + autoPtr 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("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 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); diff --git a/applications/solvers/compressible/realFluidPisoFoam/hEqn.H b/applications/solvers/compressible/realFluidPisoFoam/hEqn.H new file mode 100644 index 000000000..ae60d3316 --- /dev/null +++ b/applications/solvers/compressible/realFluidPisoFoam/hEqn.H @@ -0,0 +1,12 @@ +{ + solve + ( + fvm::ddt(rho, h) + + fvm::div(phi, h) + - fvm::laplacian(turbulence->alphaEff(), h) + == + DpDt + ); + + thermo.correct(); +} diff --git a/applications/solvers/compressible/realFluidPisoFoam/pEqn.H b/applications/solvers/compressible/realFluidPisoFoam/pEqn.H new file mode 100644 index 000000000..2e884a146 --- /dev/null +++ b/applications/solvers/compressible/realFluidPisoFoam/pEqn.H @@ -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); diff --git a/applications/solvers/compressible/realFluidPisoFoam/realFluidPisoFoam.C b/applications/solvers/compressible/realFluidPisoFoam/realFluidPisoFoam.C new file mode 100644 index 000000000..29b423ddf --- /dev/null +++ b/applications/solvers/compressible/realFluidPisoFoam/realFluidPisoFoam.C @@ -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; +} + + +// ************************************************************************* // diff --git a/applications/solvers/compressible/rhoPisoFoam/createFields.H b/applications/solvers/compressible/rhoPisoFoam/createFields.H index f514ce6e5..fdb706a14 100644 --- a/applications/solvers/compressible/rhoPisoFoam/createFields.H +++ b/applications/solvers/compressible/rhoPisoFoam/createFields.H @@ -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("realFluid",false); volScalarField rho ( diff --git a/applications/solvers/compressible/rhoPisoFoam/pEqn.H b/applications/solvers/compressible/rhoPisoFoam/pEqn.H index 2e884a146..280842ecc 100644 --- a/applications/solvers/compressible/rhoPisoFoam/pEqn.H +++ b/applications/solvers/compressible/rhoPisoFoam/pEqn.H @@ -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" diff --git a/src/thermophysicalModels/specie/Make/files b/src/thermophysicalModels/specie/Make/files index 7f4ccccfe..af8c9669a 100644 --- a/src/thermophysicalModels/specie/Make/files +++ b/src/thermophysicalModels/specie/Make/files @@ -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 diff --git a/src/thermophysicalModels/specie/equationOfState/aungierRedlichKwong/aungierRedlichKwong.C b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/aungierRedlichKwong/aungierRedlichKwong.C similarity index 50% rename from src/thermophysicalModels/specie/equationOfState/aungierRedlichKwong/aungierRedlichKwong.C rename to src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/aungierRedlichKwong/aungierRedlichKwong.C index d6d76596d..034fcbc32 100755 --- a/src/thermophysicalModels/specie/equationOfState/aungierRedlichKwong/aungierRedlichKwong.C +++ b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/aungierRedlichKwong/aungierRedlichKwong.C @@ -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(ark)<< tab + os << static_cast(ark)<< token::SPACE << ark.pcrit_ << tab<< ark.Tcrit_<< tab<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::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(pr1) + + static_cast(pr2) + ); +} + +inline aungierRedlichKwong operator* +( + const scalar s, + const aungierRedlichKwong& pr +) +{ + return aungierRedlichKwong(s*static_cast(pr)); +} + // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // } // End namespace Foam diff --git a/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/README b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/README new file mode 100644 index 000000000..b30bb2b76 --- /dev/null +++ b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/README @@ -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 diff --git a/src/thermophysicalModels/specie/equationOfState/pengRobinson/pengRobinson.C b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureAungierRedlichKwong/mixtureAungierRedlichKwong.C similarity index 62% rename from src/thermophysicalModels/specie/equationOfState/pengRobinson/pengRobinson.C rename to src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureAungierRedlichKwong/mixtureAungierRedlichKwong.C index 0474ae1d9..1150ef93a 100755 --- a/src/thermophysicalModels/specie/equationOfState/pengRobinson/pengRobinson.C +++ b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureAungierRedlichKwong/mixtureAungierRedlichKwong.C @@ -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(pr)<< tab - << pr.pcrit_ << tab<< pr.Tcrit_<< tab << pr.azentricFactor_; + os << static_cast(ark)<< token::SPACE; - os.check("Ostream& operator<<(Ostream& os, const pengRobinson& st)"); + os.check("Ostream& operator<<(Ostream& os, const mixtureAungierRedlichKwong& st)"); return os; } diff --git a/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureAungierRedlichKwong/mixtureAungierRedlichKwong.H b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureAungierRedlichKwong/mixtureAungierRedlichKwong.H new file mode 100755 index 000000000..e0407fe5f --- /dev/null +++ b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureAungierRedlichKwong/mixtureAungierRedlichKwong.H @@ -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 weigths; + + //CL: saves a pointer to the pure component classes of the mixture + // mutable DynamicList 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 clone() const; + + // Selector from Istream + inline static autoPtr 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 + +// ************************************************************************* // diff --git a/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureAungierRedlichKwong/mixtureAungierRedlichKwongI.H b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureAungierRedlichKwong/mixtureAungierRedlichKwongI.H new file mode 100755 index 000000000..9e959e02e --- /dev/null +++ b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureAungierRedlichKwong/mixtureAungierRedlichKwongI.H @@ -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::clone() const +{ + return autoPtr(new mixtureAungierRedlichKwong(*this)); +} + + +// Selector from Istream +inline autoPtr mixtureAungierRedlichKwong::New(Istream& is) +{ + return autoPtr(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(pr1) + +static_cast(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(pr), + pr.Tcrit_, + pr.azentricFactor_, + pr.Vcrit_, + pr.Zcrit_, + pr.rhoMin_, + pr.rhoMax_ + ); +} + + + + +} // End namespace Foam + +// ************************************************************************* // diff --git a/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixturePengRobinson/mixturePengRobinson.C b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixturePengRobinson/mixturePengRobinson.C new file mode 100644 index 000000000..2b1ef84ae --- /dev/null +++ b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixturePengRobinson/mixturePengRobinson.C @@ -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(pr)<< token::SPACE ; + + os.check("Ostream& operator<<(Ostream& os, const mixturePengRobinson& st)"); + return os; +} + + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +} // End namespace Foam + +// ************************************************************************* // diff --git a/src/thermophysicalModels/specie/equationOfState/mixturePengRobinson/mixturePengRobinson.H b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixturePengRobinson/mixturePengRobinson.H old mode 100755 new mode 100644 similarity index 84% rename from src/thermophysicalModels/specie/equationOfState/mixturePengRobinson/mixturePengRobinson.H rename to src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixturePengRobinson/mixturePengRobinson.H index b5de5d229..27ced59e6 --- a/src/thermophysicalModels/specie/equationOfState/mixturePengRobinson/mixturePengRobinson.H +++ b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixturePengRobinson/mixturePengRobinson.H @@ -83,15 +83,6 @@ protected: //CL: needs to be multiplied by this->W() to get the molar fractions mutable DynamicList weigths; - //CL: stores the values of a(T) of all componentes - mutable DynamicList aComponents; - - //CL: stores the values of the derivatives da/dT of all componentes - mutable DynamicList daComponents; - - //CL: stores the values of the second order derivatives d2a/dT2 of all componentes - mutable DynamicList d2aComponents; - //CL: saves a pointer to the pure component classes of the mixture mutable DynamicList 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 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 weigths, - DynamicList mixtureComponents + DynamicList 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&); diff --git a/src/thermophysicalModels/specie/equationOfState/mixturePengRobinson/mixturePengRobinsonI.H b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixturePengRobinson/mixturePengRobinsonI.H old mode 100755 new mode 100644 similarity index 73% rename from src/thermophysicalModels/specie/equationOfState/mixturePengRobinson/mixturePengRobinsonI.H rename to src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixturePengRobinson/mixturePengRobinsonI.H index 527cbdac4..7cf527189 --- a/src/thermophysicalModels/specie/equationOfState/mixturePengRobinson/mixturePengRobinsonI.H +++ b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixturePengRobinson/mixturePengRobinsonI.H @@ -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 weigths, - DynamicList mixtureComponents + DynamicList 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;ia(T); - daComponents[i]=mixtureComponents[i]->dadT(T); - d2aComponents[i]=mixtureComponents[i]->d2adT2(T); - } - for (i=0;iW()*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(pr1)+static_cast(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(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_); } // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // diff --git a/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureRedlichKwong/mixtureRedlichKwong.C b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureRedlichKwong/mixtureRedlichKwong.C new file mode 100644 index 000000000..b3abea406 --- /dev/null +++ b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureRedlichKwong/mixtureRedlichKwong.C @@ -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(rk)<< token::SPACE ; + + os.check("Ostream& operator<<(Ostream& os, const mixtureRedlichKwong& st)"); + return os; +} + + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +} // End namespace Foam + +// ************************************************************************* // diff --git a/src/thermophysicalModels/specie/equationOfState/mixtureRedlichKwong/mixtureRedlichKwong.H b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureRedlichKwong/mixtureRedlichKwong.H old mode 100755 new mode 100644 similarity index 82% rename from src/thermophysicalModels/specie/equationOfState/mixtureRedlichKwong/mixtureRedlichKwong.H rename to src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureRedlichKwong/mixtureRedlichKwong.H index 8b9d5ebe3..5b9839b30 --- a/src/thermophysicalModels/specie/equationOfState/mixtureRedlichKwong/mixtureRedlichKwong.H +++ b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureRedlichKwong/mixtureRedlichKwong.H @@ -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 realMixtureCorrCoef_; + public: // Constructors @@ -105,7 +120,9 @@ public: DynamicList 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 weigths, - DynamicList mixtureComponents + DynamicList 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 New(Istream& is); + // I-O + + //- Write to Ostream + //void write(Ostream& os) const; + + // Member operators inline void operator+=(const mixtureRedlichKwong&); diff --git a/src/thermophysicalModels/specie/equationOfState/mixtureRedlichKwong/mixtureRedlichKwongI.H b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureRedlichKwong/mixtureRedlichKwongI.H old mode 100755 new mode 100644 similarity index 74% rename from src/thermophysicalModels/specie/equationOfState/mixtureRedlichKwong/mixtureRedlichKwongI.H rename to src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureRedlichKwong/mixtureRedlichKwongI.H index fcaa9e9e5..a48f2cab1 --- a/src/thermophysicalModels/specie/equationOfState/mixtureRedlichKwong/mixtureRedlichKwongI.H +++ b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureRedlichKwong/mixtureRedlichKwongI.H @@ -49,7 +49,9 @@ inline mixtureRedlichKwong::mixtureRedlichKwong DynamicList 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 weigths, - DynamicList mixtureComponents + DynamicList 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::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;ja()*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(rK1)+static_cast(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 weigths=rK.weigths; weigths[rK.numOfComp-1]=s*rK.nMoles(); - return mixtureRedlichKwong(s*static_cast(rK), rK.numOfComp, weigths, rK.mixtureComponents,rK.a_,rK.b_,rK.rhostd_); + return mixtureRedlichKwong(s*static_cast(rK), rK.numOfComp, weigths, + rK.mixtureComponents,rK.a_,rK.b_,rK.rhostd_, rK.rhoMin_, rK.rhoMax_); } // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // diff --git a/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureSoaveRedlichKwong/mixtureSoaveRedlichKwong.C b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureSoaveRedlichKwong/mixtureSoaveRedlichKwong.C new file mode 100644 index 000000000..214432bcc --- /dev/null +++ b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureSoaveRedlichKwong/mixtureSoaveRedlichKwong.C @@ -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(srk)<< token::SPACE ; + + os.check("Ostream& operator<<(Ostream& os, const mixtureSoaveRedlichKwong& st)"); + return os; +} + + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +} // End namespace Foam + +// ************************************************************************* // diff --git a/src/thermophysicalModels/specie/equationOfState/mixtureSoaveRedlichKwong/mixtureSoaveRedlichKwong.H b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureSoaveRedlichKwong/mixtureSoaveRedlichKwong.H old mode 100755 new mode 100644 similarity index 85% rename from src/thermophysicalModels/specie/equationOfState/mixtureSoaveRedlichKwong/mixtureSoaveRedlichKwong.H rename to src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureSoaveRedlichKwong/mixtureSoaveRedlichKwong.H index ec9e1a7b7..7dbd69c2a --- a/src/thermophysicalModels/specie/equationOfState/mixtureSoaveRedlichKwong/mixtureSoaveRedlichKwong.H +++ b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureSoaveRedlichKwong/mixtureSoaveRedlichKwong.H @@ -83,15 +83,6 @@ protected: //CL: needs to be multiplied by this->W() to get the molar fractions mutable DynamicList weigths; - //CL: stores the values of a(T) of all componentes - mutable DynamicList aComponents; - - //CL: stores the values of the derivatives of da/dT of all componentes - mutable DynamicList daComponents; - - //CL: stores the values of the second order derivatives of d2a/dT2 of all componentes - mutable DynamicList d2aComponents; - //CL: saves a pointer to the pure component classes of the mixture mutable DynamicList 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 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 weigths, - DynamicList mixtureComponents + DynamicList 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&); diff --git a/src/thermophysicalModels/specie/equationOfState/mixtureSoaveRedlichKwong/mixtureSoaveRedlichKwongI.H b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureSoaveRedlichKwong/mixtureSoaveRedlichKwongI.H old mode 100755 new mode 100644 similarity index 74% rename from src/thermophysicalModels/specie/equationOfState/mixtureSoaveRedlichKwong/mixtureSoaveRedlichKwongI.H rename to src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureSoaveRedlichKwong/mixtureSoaveRedlichKwongI.H index b713eaa49..82ef4ab6d --- a/src/thermophysicalModels/specie/equationOfState/mixtureSoaveRedlichKwong/mixtureSoaveRedlichKwongI.H +++ b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/mixtures/mixtureSoaveRedlichKwong/mixtureSoaveRedlichKwongI.H @@ -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 weigths, - DynamicList mixtureComponents + DynamicList 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;ia(T); - daComponents[i]=mixtureComponents[i]->dadT(T); - d2aComponents[i]=mixtureComponents[i]->d2adT2(T); - } - for (i=0;iW()*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(srk1)+static_cast(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(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_); } // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // diff --git a/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/pengRobinson/pengRobinson.C b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/pengRobinson/pengRobinson.C new file mode 100755 index 000000000..e6fb2b170 --- /dev/null +++ b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/pengRobinson/pengRobinson.C @@ -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(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 + +// ************************************************************************* // diff --git a/src/thermophysicalModels/specie/equationOfState/pengRobinson/pengRobinson.H b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/pengRobinson/pengRobinson.H similarity index 91% rename from src/thermophysicalModels/specie/equationOfState/pengRobinson/pengRobinson.H rename to src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/pengRobinson/pengRobinson.H index fdbfa73ee..ce876b7f7 100755 --- a/src/thermophysicalModels/specie/equationOfState/pengRobinson/pengRobinson.H +++ b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/pengRobinson/pengRobinson.H @@ -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&); diff --git a/src/thermophysicalModels/specie/equationOfState/pengRobinson/pengRobinsonI.H b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/pengRobinson/pengRobinsonI.H similarity index 85% rename from src/thermophysicalModels/specie/equationOfState/pengRobinson/pengRobinsonI.H rename to src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/pengRobinson/pengRobinsonI.H index 529207d1f..407691ebb 100755 --- a/src/thermophysicalModels/specie/equationOfState/pengRobinson/pengRobinsonI.H +++ b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/pengRobinson/pengRobinsonI.H @@ -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); } diff --git a/src/thermophysicalModels/specie/equationOfState/redlichKwong/redlichKwong.C b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/redlichKwong/redlichKwong.C similarity index 56% rename from src/thermophysicalModels/specie/equationOfState/redlichKwong/redlichKwong.C rename to src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/redlichKwong/redlichKwong.C index b546fc15a..06116bf72 100755 --- a/src/thermophysicalModels/specie/equationOfState/redlichKwong/redlichKwong.C +++ b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/redlichKwong/redlichKwong.C @@ -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(rk)<< tab + os << static_cast(rk)<< token::SPACE << rk.pcrit_ << tab<< rk.Tcrit_; os.check("Ostream& operator<<(Ostream& os, const redlichKwong& st)"); return os; } - // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // } // End namespace Foam diff --git a/src/thermophysicalModels/specie/equationOfState/redlichKwong/redlichKwong.H b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/redlichKwong/redlichKwong.H similarity index 90% rename from src/thermophysicalModels/specie/equationOfState/redlichKwong/redlichKwong.H rename to src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/redlichKwong/redlichKwong.H index 9901e8d42..2202c39d4 100755 --- a/src/thermophysicalModels/specie/equationOfState/redlichKwong/redlichKwong.H +++ b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/redlichKwong/redlichKwong.H @@ -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&); diff --git a/src/thermophysicalModels/specie/equationOfState/redlichKwong/redlichKwongI.H b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/redlichKwong/redlichKwongI.H similarity index 90% rename from src/thermophysicalModels/specie/equationOfState/redlichKwong/redlichKwongI.H rename to src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/redlichKwong/redlichKwongI.H index 95be706f6..db9b48c29 100755 --- a/src/thermophysicalModels/specie/equationOfState/redlichKwong/redlichKwongI.H +++ b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/redlichKwong/redlichKwongI.H @@ -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; diff --git a/src/thermophysicalModels/specie/equationOfState/soaveRedlichKwong/soaveRedlichKwong.C b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/soaveRedlichKwong/soaveRedlichKwong.C similarity index 55% rename from src/thermophysicalModels/specie/equationOfState/soaveRedlichKwong/soaveRedlichKwong.C rename to src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/soaveRedlichKwong/soaveRedlichKwong.C index 997bbe85f..834f53042 100755 --- a/src/thermophysicalModels/specie/equationOfState/soaveRedlichKwong/soaveRedlichKwong.C +++ b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/soaveRedlichKwong/soaveRedlichKwong.C @@ -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(srk)<< tab + os << static_cast(srk)<< token::SPACE << srk.pcrit_ << tab<< srk.Tcrit_<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); } diff --git a/src/thermophysicalModels/specie/equationOfState/mixturePengRobinson/mixturePengRobinson.C b/src/thermophysicalModels/specie/equationOfState/mixturePengRobinson/mixturePengRobinson.C deleted file mode 100755 index 39afb89d0..000000000 --- a/src/thermophysicalModels/specie/equationOfState/mixturePengRobinson/mixturePengRobinson.C +++ /dev/null @@ -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(pr)<< tab; - - os.check("Ostream& operator<<(Ostream& os, const mixturePengRobinson& st)"); - return os; -} - - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -} // End namespace Foam - -// ************************************************************************* // diff --git a/src/thermophysicalModels/specie/equationOfState/mixtureRedlichKwong/mixtureRedlichKwong.C b/src/thermophysicalModels/specie/equationOfState/mixtureRedlichKwong/mixtureRedlichKwong.C deleted file mode 100755 index 820354d6c..000000000 --- a/src/thermophysicalModels/specie/equationOfState/mixtureRedlichKwong/mixtureRedlichKwong.C +++ /dev/null @@ -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(rk)<< tab; - - os.check("Ostream& operator<<(Ostream& os, const mixtureRedlichKwong& st)"); - return os; -} - - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -} // End namespace Foam - -// ************************************************************************* // diff --git a/src/thermophysicalModels/specie/equationOfState/mixtureSoaveRedlichKwong/mixtureSoaveRedlichKwong.C b/src/thermophysicalModels/specie/equationOfState/mixtureSoaveRedlichKwong/mixtureSoaveRedlichKwong.C deleted file mode 100755 index f5c9e0136..000000000 --- a/src/thermophysicalModels/specie/equationOfState/mixtureSoaveRedlichKwong/mixtureSoaveRedlichKwong.C +++ /dev/null @@ -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(srk)<< tab; - - os.check("Ostream& operator<<(Ostream& os, const mixtureSoaveRedlichKwong& st)"); - return os; -} - - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -} // End namespace Foam - -// ************************************************************************* // diff --git a/src/thermophysicalModels/specie/thermo/nasaHeatCapacityPolynomial/nasaHeatCapacityPolynomial.C b/src/thermophysicalModels/specie/thermo/realGasThermo/nasaHeatCapacityPolynomial/nasaHeatCapacityPolynomial.C similarity index 100% rename from src/thermophysicalModels/specie/thermo/nasaHeatCapacityPolynomial/nasaHeatCapacityPolynomial.C rename to src/thermophysicalModels/specie/thermo/realGasThermo/nasaHeatCapacityPolynomial/nasaHeatCapacityPolynomial.C diff --git a/src/thermophysicalModels/specie/thermo/nasaHeatCapacityPolynomial/nasaHeatCapacityPolynomial.H b/src/thermophysicalModels/specie/thermo/realGasThermo/nasaHeatCapacityPolynomial/nasaHeatCapacityPolynomial.H similarity index 100% rename from src/thermophysicalModels/specie/thermo/nasaHeatCapacityPolynomial/nasaHeatCapacityPolynomial.H rename to src/thermophysicalModels/specie/thermo/realGasThermo/nasaHeatCapacityPolynomial/nasaHeatCapacityPolynomial.H diff --git a/src/thermophysicalModels/specie/thermo/nasaHeatCapacityPolynomial/nasaHeatCapacityPolynomialI.H b/src/thermophysicalModels/specie/thermo/realGasThermo/nasaHeatCapacityPolynomial/nasaHeatCapacityPolynomialI.H similarity index 100% rename from src/thermophysicalModels/specie/thermo/nasaHeatCapacityPolynomial/nasaHeatCapacityPolynomialI.H rename to src/thermophysicalModels/specie/thermo/realGasThermo/nasaHeatCapacityPolynomial/nasaHeatCapacityPolynomialI.H diff --git a/src/thermophysicalModels/specie/thermo/realGasSpecieThermo/realGasSpecieThermo.C b/src/thermophysicalModels/specie/thermo/realGasThermo/realGasSpecieThermo/realGasSpecieThermo.C similarity index 100% rename from src/thermophysicalModels/specie/thermo/realGasSpecieThermo/realGasSpecieThermo.C rename to src/thermophysicalModels/specie/thermo/realGasThermo/realGasSpecieThermo/realGasSpecieThermo.C diff --git a/src/thermophysicalModels/specie/thermo/realGasSpecieThermo/realGasSpecieThermo.H b/src/thermophysicalModels/specie/thermo/realGasThermo/realGasSpecieThermo/realGasSpecieThermo.H similarity index 100% rename from src/thermophysicalModels/specie/thermo/realGasSpecieThermo/realGasSpecieThermo.H rename to src/thermophysicalModels/specie/thermo/realGasThermo/realGasSpecieThermo/realGasSpecieThermo.H diff --git a/src/thermophysicalModels/specie/thermo/realGasSpecieThermo/realGasSpecieThermoI.H b/src/thermophysicalModels/specie/thermo/realGasThermo/realGasSpecieThermo/realGasSpecieThermoI.H similarity index 100% rename from src/thermophysicalModels/specie/thermo/realGasSpecieThermo/realGasSpecieThermoI.H rename to src/thermophysicalModels/specie/thermo/realGasThermo/realGasSpecieThermo/realGasSpecieThermoI.H diff --git a/tutorials/compressible/rhoPisoFoam/ras/pipe/0/T b/tutorials/compressible/realFluidPisoFoam/ras/backStep/0.org/T similarity index 94% rename from tutorials/compressible/rhoPisoFoam/ras/pipe/0/T rename to tutorials/compressible/realFluidPisoFoam/ras/backStep/0.org/T index b71cb876b..ceeeae899 100755 --- a/tutorials/compressible/rhoPisoFoam/ras/pipe/0/T +++ b/tutorials/compressible/realFluidPisoFoam/ras/backStep/0.org/T @@ -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; } diff --git a/tutorials/compressible/rhoPisoFoam/ras/pipe/0/U b/tutorials/compressible/realFluidPisoFoam/ras/backStep/0.org/U similarity index 84% rename from tutorials/compressible/rhoPisoFoam/ras/pipe/0/U rename to tutorials/compressible/realFluidPisoFoam/ras/backStep/0.org/U index c5a31aca6..4eeb59065 100755 --- a/tutorials/compressible/rhoPisoFoam/ras/pipe/0/U +++ b/tutorials/compressible/realFluidPisoFoam/ras/backStep/0.org/U @@ -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; } diff --git a/tutorials/compressible/rhoPisoFoam/ras/pipe/0/epsilon b/tutorials/compressible/realFluidPisoFoam/ras/backStep/0.org/epsilon old mode 100755 new mode 100644 similarity index 83% rename from tutorials/compressible/rhoPisoFoam/ras/pipe/0/epsilon rename to tutorials/compressible/realFluidPisoFoam/ras/backStep/0.org/epsilon index 381b88669..bc5ec76b0 --- a/tutorials/compressible/rhoPisoFoam/ras/pipe/0/epsilon +++ b/tutorials/compressible/realFluidPisoFoam/ras/backStep/0.org/epsilon @@ -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; } diff --git a/tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/0/k b/tutorials/compressible/realFluidPisoFoam/ras/backStep/0.org/k old mode 100755 new mode 100644 similarity index 77% rename from tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/0/k rename to tutorials/compressible/realFluidPisoFoam/ras/backStep/0.org/k index 5e6de985a..e17091353 --- a/tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/0/k +++ b/tutorials/compressible/realFluidPisoFoam/ras/backStep/0.org/k @@ -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; } diff --git a/tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/0/p b/tutorials/compressible/realFluidPisoFoam/ras/backStep/0.org/p similarity index 89% rename from tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/0/p rename to tutorials/compressible/realFluidPisoFoam/ras/backStep/0.org/p index cbc7fd109..532c994bb 100755 --- a/tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/0/p +++ b/tutorials/compressible/realFluidPisoFoam/ras/backStep/0.org/p @@ -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; } diff --git a/tutorials/compressible/rhoPisoFoam/ras/pipe/0/p b/tutorials/compressible/realFluidPisoFoam/ras/backStep/0/T similarity index 82% rename from tutorials/compressible/rhoPisoFoam/ras/pipe/0/p rename to tutorials/compressible/realFluidPisoFoam/ras/backStep/0/T index ed10138df..ceeeae899 100755 --- a/tutorials/compressible/rhoPisoFoam/ras/pipe/0/p +++ b/tutorials/compressible/realFluidPisoFoam/ras/backStep/0/T @@ -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; } diff --git a/tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/0/U b/tutorials/compressible/realFluidPisoFoam/ras/backStep/0/U similarity index 81% rename from tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/0/U rename to tutorials/compressible/realFluidPisoFoam/ras/backStep/0/U index 0a85d15ad..4eeb59065 100755 --- a/tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/0/U +++ b/tutorials/compressible/realFluidPisoFoam/ras/backStep/0/U @@ -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; } diff --git a/tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/0/epsilon b/tutorials/compressible/realFluidPisoFoam/ras/backStep/0/epsilon old mode 100755 new mode 100644 similarity index 83% rename from tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/0/epsilon rename to tutorials/compressible/realFluidPisoFoam/ras/backStep/0/epsilon index 381b88669..bc5ec76b0 --- a/tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/0/epsilon +++ b/tutorials/compressible/realFluidPisoFoam/ras/backStep/0/epsilon @@ -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; } diff --git a/tutorials/compressible/rhoPisoFoam/ras/pipe/0/k b/tutorials/compressible/realFluidPisoFoam/ras/backStep/0/k old mode 100755 new mode 100644 similarity index 77% rename from tutorials/compressible/rhoPisoFoam/ras/pipe/0/k rename to tutorials/compressible/realFluidPisoFoam/ras/backStep/0/k index 5e6de985a..e17091353 --- a/tutorials/compressible/rhoPisoFoam/ras/pipe/0/k +++ b/tutorials/compressible/realFluidPisoFoam/ras/backStep/0/k @@ -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; } diff --git a/tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/0/T b/tutorials/compressible/realFluidPisoFoam/ras/backStep/0/p similarity index 72% rename from tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/0/T rename to tutorials/compressible/realFluidPisoFoam/ras/backStep/0/p index c80d17527..532c994bb 100755 --- a/tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/0/T +++ b/tutorials/compressible/realFluidPisoFoam/ras/backStep/0/p @@ -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; } diff --git a/tutorials/compressible/realFluidPisoFoam/ras/backStep/Allrun b/tutorials/compressible/realFluidPisoFoam/ras/backStep/Allrun new file mode 100755 index 000000000..30b386dfe --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/backStep/Allrun @@ -0,0 +1,9 @@ +#!/bin/sh +cd ${0%/*} || exit 1 # run from this directory + + +# Source tutorial run functions +. $WM_PROJECT_DIR/bin/tools/RunFunctions + +runApplication blockMesh +runApplication `getApplication` diff --git a/tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/constant/RASProperties b/tutorials/compressible/realFluidPisoFoam/ras/backStep/constant/RASProperties similarity index 100% rename from tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/constant/RASProperties rename to tutorials/compressible/realFluidPisoFoam/ras/backStep/constant/RASProperties diff --git a/tutorials/compressible/realFluidPisoFoam/ras/backStep/constant/polyMesh/blockMeshDict b/tutorials/compressible/realFluidPisoFoam/ras/backStep/constant/polyMesh/blockMeshDict new file mode 100644 index 000000000..ddea96f98 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/backStep/constant/polyMesh/blockMeshDict @@ -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 +( +); + +// ************************************************************************* // diff --git a/tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/constant/polyMesh/boundary b/tutorials/compressible/realFluidPisoFoam/ras/backStep/constant/polyMesh/boundary old mode 100755 new mode 100644 similarity index 60% rename from tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/constant/polyMesh/boundary rename to tutorials/compressible/realFluidPisoFoam/ras/backStep/constant/polyMesh/boundary index 7a59636ef..cb1db5976 --- a/tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/constant/polyMesh/boundary +++ b/tutorials/compressible/realFluidPisoFoam/ras/backStep/constant/polyMesh/boundary @@ -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; } ) diff --git a/tutorials/compressible/rhoPisoFoam/ras/pipe/constant/thermophysicalProperties b/tutorials/compressible/realFluidPisoFoam/ras/backStep/constant/thermophysicalProperties similarity index 100% rename from tutorials/compressible/rhoPisoFoam/ras/pipe/constant/thermophysicalProperties rename to tutorials/compressible/realFluidPisoFoam/ras/backStep/constant/thermophysicalProperties diff --git a/tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/constant/turbulenceProperties b/tutorials/compressible/realFluidPisoFoam/ras/backStep/constant/turbulenceProperties similarity index 100% rename from tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/constant/turbulenceProperties rename to tutorials/compressible/realFluidPisoFoam/ras/backStep/constant/turbulenceProperties diff --git a/tutorials/compressible/rhoPisoFoam/ras/pipe/system/controlDict b/tutorials/compressible/realFluidPisoFoam/ras/backStep/system/controlDict similarity index 92% rename from tutorials/compressible/rhoPisoFoam/ras/pipe/system/controlDict rename to tutorials/compressible/realFluidPisoFoam/ras/backStep/system/controlDict index 57a0bc712..dbd153965 100755 --- a/tutorials/compressible/rhoPisoFoam/ras/pipe/system/controlDict +++ b/tutorials/compressible/realFluidPisoFoam/ras/backStep/system/controlDict @@ -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; diff --git a/tutorials/compressible/rhoPisoFoam/ras/pipe/system/fvSchemes b/tutorials/compressible/realFluidPisoFoam/ras/backStep/system/fvSchemes similarity index 98% rename from tutorials/compressible/rhoPisoFoam/ras/pipe/system/fvSchemes rename to tutorials/compressible/realFluidPisoFoam/ras/backStep/system/fvSchemes index 7b89eff9d..4610afa95 100644 --- a/tutorials/compressible/rhoPisoFoam/ras/pipe/system/fvSchemes +++ b/tutorials/compressible/realFluidPisoFoam/ras/backStep/system/fvSchemes @@ -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; diff --git a/tutorials/compressible/rhoPisoFoam/ras/pipe/system/fvSolution b/tutorials/compressible/realFluidPisoFoam/ras/backStep/system/fvSolution similarity index 100% rename from tutorials/compressible/rhoPisoFoam/ras/pipe/system/fvSolution rename to tutorials/compressible/realFluidPisoFoam/ras/backStep/system/fvSolution diff --git a/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0.org/T b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0.org/T new file mode 100644 index 000000000..079d97f63 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0.org/T @@ -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; + } +} + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0.org/U b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0.org/U new file mode 100644 index 000000000..71dda0db9 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0.org/U @@ -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; + } +} + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0.org/epsilon b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0.org/epsilon new file mode 100644 index 000000000..70315bc76 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0.org/epsilon @@ -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; + } +} + + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0.org/k b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0.org/k new file mode 100644 index 000000000..ed80a0488 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0.org/k @@ -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; + } +} + + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0.org/omega b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0.org/omega new file mode 100644 index 000000000..63e1b3d75 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0.org/omega @@ -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; + } +} + + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0.org/p b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0.org/p new file mode 100644 index 000000000..1771a7ded --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0.org/p @@ -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; + } +} + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0/T b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0/T new file mode 100644 index 000000000..079d97f63 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0/T @@ -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; + } +} + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0/U b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0/U new file mode 100644 index 000000000..71dda0db9 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0/U @@ -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; + } +} + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0/epsilon b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0/epsilon new file mode 100644 index 000000000..70315bc76 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0/epsilon @@ -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; + } +} + + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0/k b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0/k new file mode 100644 index 000000000..ed80a0488 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0/k @@ -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; + } +} + + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0/omega b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0/omega new file mode 100644 index 000000000..63e1b3d75 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0/omega @@ -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; + } +} + + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0/p b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0/p new file mode 100644 index 000000000..1771a7ded --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0/p @@ -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; + } +} + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/Allrun b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/Allrun new file mode 100755 index 000000000..30b386dfe --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/Allrun @@ -0,0 +1,9 @@ +#!/bin/sh +cd ${0%/*} || exit 1 # run from this directory + + +# Source tutorial run functions +. $WM_PROJECT_DIR/bin/tools/RunFunctions + +runApplication blockMesh +runApplication `getApplication` diff --git a/tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/README b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/README similarity index 97% rename from tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/README rename to tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/README index 480e7610e..8aec44ea4 100644 --- a/tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/README +++ b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/README @@ -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: diff --git a/tutorials/compressible/rhoPisoFoam/ras/pipe/constant/RASProperties b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/constant/RASProperties similarity index 100% rename from tutorials/compressible/rhoPisoFoam/ras/pipe/constant/RASProperties rename to tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/constant/RASProperties diff --git a/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/constant/polyMesh/blockMeshDict b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/constant/polyMesh/blockMeshDict new file mode 100644 index 000000000..0d902e2a3 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/constant/polyMesh/blockMeshDict @@ -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 +( +); + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/constant/polyMesh/boundary b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/constant/polyMesh/boundary new file mode 100644 index 000000000..fe2671f34 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/constant/polyMesh/boundary @@ -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; + } +) + +// ************************************************************************* // diff --git a/tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/constant/thermophysicalProperties b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/constant/thermophysicalProperties similarity index 100% rename from tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/constant/thermophysicalProperties rename to tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/constant/thermophysicalProperties diff --git a/tutorials/compressible/rhoPisoFoam/ras/pipe/constant/turbulenceProperties b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/constant/turbulenceProperties similarity index 100% rename from tutorials/compressible/rhoPisoFoam/ras/pipe/constant/turbulenceProperties rename to tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/constant/turbulenceProperties diff --git a/tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/system/controlDict b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/system/controlDict similarity index 89% rename from tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/system/controlDict rename to tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/system/controlDict index 2666107ee..57bf40c09 100755 --- a/tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/system/controlDict +++ b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/system/controlDict @@ -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" diff --git a/tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/system/fvSchemes b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/system/fvSchemes similarity index 98% rename from tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/system/fvSchemes rename to tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/system/fvSchemes index 1e9cfe831..f3e0e04b1 100755 --- a/tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/system/fvSchemes +++ b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/system/fvSchemes @@ -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; diff --git a/tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/system/fvSolution b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/system/fvSolution similarity index 100% rename from tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/system/fvSolution rename to tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/system/fvSolution diff --git a/tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/constant/.RASProperties.swp b/tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/constant/.RASProperties.swp deleted file mode 100755 index 35d19163d..000000000 Binary files a/tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/constant/.RASProperties.swp and /dev/null differ diff --git a/tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/constant/polyMesh/cellZones b/tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/constant/polyMesh/cellZones deleted file mode 100755 index 965611ab5..000000000 --- a/tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/constant/polyMesh/cellZones +++ /dev/null @@ -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 -() - -// ************************************************************************* // diff --git a/tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/constant/polyMesh/faceZones b/tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/constant/polyMesh/faceZones deleted file mode 100755 index 6469973da..000000000 --- a/tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/constant/polyMesh/faceZones +++ /dev/null @@ -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 -() - -// ************************************************************************* // diff --git a/tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/constant/polyMesh/faces b/tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/constant/polyMesh/faces deleted file mode 100755 index d2a85b7dd..000000000 --- a/tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/constant/polyMesh/faces +++ /dev/null @@ -1,7666 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM Extend Project: Open source CFD | -| \\ / O peration | Version: 1.6-ext | -| \\ / A nd | Web: www.extend-project.de | 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0.002838575912 -0.00050009999) -(0.5 0.004235474916 -0.00050009999) -(0.5 0.005764525084 -0.00050009999) -(0.5 0.007161424088 -0.00050009999) -(0.5 0.008241980085 -0.00050009999) -(0.5 0.008975162042 -0.00050009999) -(0.5 0.009429475607 -0.00050009999) -(0.5 0.009695336429 -0.00050009999) -(0.5 0.00984573433 -0.00050009999) -(0.5 0.009929188095 -0.00050009999) -(0.5 0.009975 -0.00050009999) -(0.5 0.01 -0.00050009999) -) - - -// ************************************************************************* // diff --git a/tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/constant/polyMesh/zoneToPatchName b/tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/constant/polyMesh/zoneToPatchName deleted file mode 100755 index 929cab1d7..000000000 --- a/tutorials/compressible/rhoPisoFoam/ras/IAPWS97_Pipe/constant/polyMesh/zoneToPatchName +++ /dev/null @@ -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 -) - - -// ************************************************************************* // diff --git a/tutorials/compressible/rhoPisoFoam/ras/pipe/constant/polyMesh/boundary b/tutorials/compressible/rhoPisoFoam/ras/pipe/constant/polyMesh/boundary deleted file mode 100755 index 7a59636ef..000000000 --- a/tutorials/compressible/rhoPisoFoam/ras/pipe/constant/polyMesh/boundary +++ /dev/null @@ -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; - } -) - -// ************************************************************************* // diff --git a/tutorials/compressible/rhoPisoFoam/ras/pipe/constant/polyMesh/cellZones b/tutorials/compressible/rhoPisoFoam/ras/pipe/constant/polyMesh/cellZones deleted file mode 100755 index 965611ab5..000000000 --- a/tutorials/compressible/rhoPisoFoam/ras/pipe/constant/polyMesh/cellZones +++ /dev/null @@ -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 -() - -// ************************************************************************* // diff --git a/tutorials/compressible/rhoPisoFoam/ras/pipe/constant/polyMesh/faceZones b/tutorials/compressible/rhoPisoFoam/ras/pipe/constant/polyMesh/faceZones deleted file mode 100755 index 6469973da..000000000 --- a/tutorials/compressible/rhoPisoFoam/ras/pipe/constant/polyMesh/faceZones +++ /dev/null @@ -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 -() - -// ************************************************************************* // diff --git 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+++ /dev/null @@ -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 -() - -// ************************************************************************* // diff --git a/tutorials/compressible/rhoPisoFoam/ras/pipe/constant/polyMesh/points b/tutorials/compressible/rhoPisoFoam/ras/pipe/constant/polyMesh/points deleted file mode 100755 index dae0fb5e8..000000000 --- a/tutorials/compressible/rhoPisoFoam/ras/pipe/constant/polyMesh/points +++ /dev/null @@ -1,4024 +0,0 @@ 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b/tutorials/compressible/rhoPisoFoam/ras/pipe/constant/polyMesh/zoneToPatchName deleted file mode 100755 index 929cab1d7..000000000 --- a/tutorials/compressible/rhoPisoFoam/ras/pipe/constant/polyMesh/zoneToPatchName +++ /dev/null @@ -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 -) - - -// ************************************************************************* //