From 4ce8687b97ffaad2457bc87eb434985c7fa6e64b Mon Sep 17 00:00:00 2001 From: Christian Lucas Date: Sun, 23 Aug 2015 16:26:27 +0200 Subject: [PATCH 001/597] included real gas thermo in extend 3.1 --- .../compressible/realFluidPisoFoam/Make/files | 3 + .../realFluidPisoFoam/Make/options | 14 + .../compressible/realFluidPisoFoam/UEqn.H | 11 + .../realFluidPisoFoam/createFields.H | 57 ++ .../compressible/realFluidPisoFoam/hEqn.H | 12 + .../compressible/realFluidPisoFoam/pEqn.H | 37 + .../realFluidPisoFoam/realFluidPisoFoam.C | 96 +++ src/thermophysicalModels/basic/Make/files | 2 + .../mixtures/basicMixture/basicMixtures.C | 154 ++++ .../mixtures/basicMixture/makeBasicMixture.H | 11 + .../psiThermo/basicPsiThermo/basicPsiThermo.C | 15 + .../psiThermo/basicPsiThermo/basicPsiThermo.H | 6 + .../basicPsiThermo/makeBasicPsiThermo.H | 22 + .../psiThermo/realGasEThermo/realGasEThermo.C | 516 ++++++++++++++ .../psiThermo/realGasEThermo/realGasEThermo.H | 203 ++++++ .../realGasEThermo/realGasEThermos.C | 237 ++++++ .../psiThermo/realGasHThermo/realGasHThermo.C | 517 ++++++++++++++ .../psiThermo/realGasHThermo/realGasHThermo.H | 203 ++++++ .../realGasHThermo/realGasHThermos.C | 235 ++++++ .../IAPWS_Waterproperties/Allwmake | 26 + .../IAPWSThermo/IAPWS-IF97.C | 602 ++++++++++++++++ .../IAPWSThermo/IAPWS-IF97.H | 231 ++++++ .../IAPWSThermo/IAPWSThermo.C | 476 +++++++++++++ .../IAPWSThermo/IAPWSThermo.H | 198 +++++ .../IAPWSThermo/IAPWSThermos.C | 74 ++ .../IAPWS_Waterproperties/IAPWSThermo/steam.H | 56 ++ .../IAPWS_Waterproperties/Make/files | 4 + .../IAPWS_Waterproperties/Make/options | 8 + src/thermophysicalModels/specie/Make/files | 4 + .../aungierRedlichKwong/aungierRedlichKwong.C | 85 +++ .../aungierRedlichKwong/aungierRedlichKwong.H | 308 ++++++++ .../aungierRedlichKwongI.H | 674 ++++++++++++++++++ .../pengRobinson/pengRobinson.C | 79 ++ .../pengRobinson/pengRobinson.H | 296 ++++++++ .../pengRobinson/pengRobinsonI.H | 646 +++++++++++++++++ .../redlichKwong/redlichKwong.C | 71 ++ .../redlichKwong/redlichKwong.H | 240 +++++++ .../redlichKwong/redlichKwongI.H | 533 ++++++++++++++ .../soaveRedlichKwong/soaveRedlichKwong.C | 78 ++ .../soaveRedlichKwong/soaveRedlichKwong.H | 281 ++++++++ .../soaveRedlichKwong/soaveRedlichKwongI.H | 606 ++++++++++++++++ .../constantHeatCapacity.C | 71 ++ .../constantHeatCapacity.H | 256 +++++++ .../constantHeatCapacityI.H | 402 +++++++++++ .../nasaHeatCapacityPolynomial.C | 76 ++ .../nasaHeatCapacityPolynomial.H | 274 +++++++ .../nasaHeatCapacityPolynomialI.H | 501 +++++++++++++ .../realGasSpecieThermo/realGasSpecieThermo.C | 63 ++ .../realGasSpecieThermo/realGasSpecieThermo.H | 276 +++++++ .../realGasSpecieThermoI.H | 382 ++++++++++ .../constRealGas/constRealGasTransport.C | 56 ++ .../constRealGas/constRealGasTransport.H | 202 ++++++ .../constRealGas/constRealGasTransportI.H | 182 +++++ .../sutherlandRealGasTransport.C | 62 ++ .../sutherlandRealGasTransport.H | 227 ++++++ .../sutherlandRealGasTransportI.H | 266 +++++++ .../realFluidPisoFoam/ras/backStep/0/T | 49 ++ .../realFluidPisoFoam/ras/backStep/0/U | 51 ++ .../realFluidPisoFoam/ras/backStep/0/epsilon | 60 ++ .../realFluidPisoFoam/ras/backStep/0/k | 53 ++ .../realFluidPisoFoam/ras/backStep/0/p | 54 ++ .../realFluidPisoFoam/ras/backStep/Allrun | 9 + .../ras/backStep/constant/RASProperties | 25 + .../backStep/constant/polyMesh/blockMeshDict | 173 +++++ .../constant/thermophysicalProperties | 68 ++ .../backStep/constant/turbulenceProperties | 20 + .../ras/backStep/system/controlDict | 55 ++ .../ras/backStep/system/fvSchemes | 75 ++ .../ras/backStep/system/fvSolution | 97 +++ .../ras/backStep_IAPWS97/0.org/T | 49 ++ .../ras/backStep_IAPWS97/0.org/U | 51 ++ .../ras/backStep_IAPWS97/0.org/epsilon | 58 ++ .../ras/backStep_IAPWS97/0.org/k | 53 ++ .../ras/backStep_IAPWS97/0.org/p | 49 ++ .../ras/backStep_IAPWS97/0/T | 49 ++ .../ras/backStep_IAPWS97/0/U | 51 ++ .../ras/backStep_IAPWS97/0/epsilon | 58 ++ .../ras/backStep_IAPWS97/0/k | 53 ++ .../ras/backStep_IAPWS97/0/p | 49 ++ .../ras/backStep_IAPWS97/Allrun | 9 + .../ras/backStep_IAPWS97/README | 48 ++ .../backStep_IAPWS97/constant/RASProperties | 25 + .../constant/polyMesh/blockMeshDict | 173 +++++ .../constant/polyMesh/boundary | 52 ++ .../constant/thermophysicalProperties | 23 + .../constant/turbulenceProperties | 21 + .../ras/backStep_IAPWS97/system/controlDict | 61 ++ .../ras/backStep_IAPWS97/system/fvSchemes | 75 ++ .../ras/backStep_IAPWS97/system/fvSolution | 97 +++ .../ras/cavity_IAPWS97/0.org/T | 39 + .../ras/cavity_IAPWS97/0.org/U | 43 ++ .../ras/cavity_IAPWS97/0.org/epsilon | 49 ++ .../ras/cavity_IAPWS97/0.org/k | 41 ++ .../ras/cavity_IAPWS97/0.org/p | 39 + .../realFluidPisoFoam/ras/cavity_IAPWS97/0/T | 39 + .../realFluidPisoFoam/ras/cavity_IAPWS97/0/U | 43 ++ .../ras/cavity_IAPWS97/0/epsilon | 49 ++ .../realFluidPisoFoam/ras/cavity_IAPWS97/0/k | 41 ++ .../realFluidPisoFoam/ras/cavity_IAPWS97/0/p | 39 + .../ras/cavity_IAPWS97/Allrun | 9 + .../ras/cavity_IAPWS97/README | 48 ++ .../ras/cavity_IAPWS97/constant/RASProperties | 25 + .../constant/polyMesh/blockMeshDict | 75 ++ .../cavity_IAPWS97/constant/polyMesh/boundary | 40 ++ .../constant/thermophysicalProperties | 23 + .../constant/turbulenceProperties | 21 + .../ras/cavity_IAPWS97/system/controlDict | 62 ++ .../ras/cavity_IAPWS97/system/fvSchemes | 75 ++ .../ras/cavity_IAPWS97/system/fvSolution | 97 +++ .../realFluidPisoFoam/ras/t-junction/0/T | 48 ++ .../realFluidPisoFoam/ras/t-junction/0/U | 47 ++ .../ras/t-junction/0/epsilon | 58 ++ .../realFluidPisoFoam/ras/t-junction/0/k | 52 ++ .../realFluidPisoFoam/ras/t-junction/0/p | 46 ++ .../realFluidPisoFoam/ras/t-junction/Allrun | 9 + .../ras/t-junction/constant/RASProperties | 25 + .../constant/polyMesh/blockMeshDict | 144 ++++ .../constant/thermophysicalProperties | 68 ++ .../t-junction/constant/turbulenceProperties | 20 + .../ras/t-junction/system/controlDict | 55 ++ .../ras/t-junction/system/fvSchemes | 73 ++ .../ras/t-junction/system/fvSolution | 88 +++ 122 files changed, 14746 insertions(+) create mode 100644 applications/solvers/compressible/realFluidPisoFoam/Make/files create mode 100644 applications/solvers/compressible/realFluidPisoFoam/Make/options create mode 100644 applications/solvers/compressible/realFluidPisoFoam/UEqn.H create mode 100644 applications/solvers/compressible/realFluidPisoFoam/createFields.H create mode 100644 applications/solvers/compressible/realFluidPisoFoam/hEqn.H create mode 100644 applications/solvers/compressible/realFluidPisoFoam/pEqn.H create mode 100644 applications/solvers/compressible/realFluidPisoFoam/realFluidPisoFoam.C create mode 100755 src/thermophysicalModels/basic/psiThermo/realGasEThermo/realGasEThermo.C create mode 100755 src/thermophysicalModels/basic/psiThermo/realGasEThermo/realGasEThermo.H create mode 100755 src/thermophysicalModels/basic/psiThermo/realGasEThermo/realGasEThermos.C create mode 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tutorials/compressible/realFluidPisoFoam/ras/t-junction/constant/RASProperties create mode 100644 tutorials/compressible/realFluidPisoFoam/ras/t-junction/constant/polyMesh/blockMeshDict create mode 100755 tutorials/compressible/realFluidPisoFoam/ras/t-junction/constant/thermophysicalProperties create mode 100755 tutorials/compressible/realFluidPisoFoam/ras/t-junction/constant/turbulenceProperties create mode 100755 tutorials/compressible/realFluidPisoFoam/ras/t-junction/system/controlDict create mode 100644 tutorials/compressible/realFluidPisoFoam/ras/t-junction/system/fvSchemes create mode 100755 tutorials/compressible/realFluidPisoFoam/ras/t-junction/system/fvSolution 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..10110a0f5 --- /dev/null +++ b/applications/solvers/compressible/realFluidPisoFoam/createFields.H @@ -0,0 +1,57 @@ + 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(); + + 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..096076618 --- /dev/null +++ b/applications/solvers/compressible/realFluidPisoFoam/pEqn.H @@ -0,0 +1,37 @@ +rho = thermo.rho(); + +volScalarField rUA = 1.0/UEqn.A(); +U = rUA*UEqn.H(); + +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(); + } +} + +#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..d67064aef --- /dev/null +++ b/applications/solvers/compressible/realFluidPisoFoam/realFluidPisoFoam.C @@ -0,0 +1,96 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / 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 + realFluidPisoFoam + +Description + Transient PISO solver for compressible, laminar or turbulent flow o + of real fluids e.g. real gases (cubic equations of state) + + Solver cannot be used with perfect gas library + +\*---------------------------------------------------------------------------*/ + +#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/src/thermophysicalModels/basic/Make/files b/src/thermophysicalModels/basic/Make/files index 80bd1f7cf..029c83333 100644 --- a/src/thermophysicalModels/basic/Make/files +++ b/src/thermophysicalModels/basic/Make/files @@ -8,6 +8,8 @@ psiThermo/basicPsiThermo/newBasicPsiThermo.C psiThermo/hPsiThermo/hPsiThermos.C psiThermo/hsPsiThermo/hsPsiThermos.C psiThermo/ePsiThermo/ePsiThermos.C +psiThermo/realGasHThermo/realGasHThermos.C +psiThermo/realGasEThermo/realGasEThermos.C rhoThermo/basicRhoThermo/basicRhoThermo.C rhoThermo/basicRhoThermo/newBasicRhoThermo.C diff --git a/src/thermophysicalModels/basic/mixtures/basicMixture/basicMixtures.C b/src/thermophysicalModels/basic/mixtures/basicMixture/basicMixtures.C index 380940518..7862d4b11 100644 --- a/src/thermophysicalModels/basic/mixtures/basicMixture/basicMixtures.C +++ b/src/thermophysicalModels/basic/mixtures/basicMixture/basicMixtures.C @@ -32,15 +32,24 @@ Description #include "makeBasicMixture.H" #include "perfectGas.H" +#include "redlichKwong.H" +#include "pengRobinson.H" +#include "aungierRedlichKwong.H" +#include "soaveRedlichKwong.H" #include "eConstThermo.H" #include "hConstThermo.H" #include "janafThermo.H" +#include "nasaHeatCapacityPolynomial.H" +#include "constantHeatCapacity.H" #include "specieThermo.H" +#include "realGasSpecieThermo.H" #include "constTransport.H" #include "sutherlandTransport.H" +#include "constRealGasTransport.H" +#include "sutherlandRealGasTransport.H" #include "pureMixture.H" @@ -93,6 +102,151 @@ makeBasicMixture perfectGas ); +//CL: Real Gas Mixtures +makeBasicRealFluidMixture +( + pureMixture, + sutherlandRealGasTransport, + realGasSpecieThermo, + nasaHeatCapacityPolynomial, + redlichKwong +); + +makeBasicRealFluidMixture +( + pureMixture, + sutherlandRealGasTransport, + realGasSpecieThermo, + nasaHeatCapacityPolynomial, + pengRobinson +); + +makeBasicRealFluidMixture +( + pureMixture, + sutherlandRealGasTransport, + realGasSpecieThermo, + nasaHeatCapacityPolynomial, + aungierRedlichKwong +); + +makeBasicRealFluidMixture +( + pureMixture, + sutherlandRealGasTransport, + realGasSpecieThermo, + nasaHeatCapacityPolynomial, + soaveRedlichKwong +); + +makeBasicRealFluidMixture +( + pureMixture, + constRealGasTransport, + realGasSpecieThermo, + nasaHeatCapacityPolynomial, + redlichKwong +); + +makeBasicRealFluidMixture +( + pureMixture, + constRealGasTransport, + realGasSpecieThermo, + nasaHeatCapacityPolynomial, + pengRobinson +); + +makeBasicRealFluidMixture +( + pureMixture, + constRealGasTransport, + realGasSpecieThermo, + nasaHeatCapacityPolynomial, + aungierRedlichKwong +); + +makeBasicRealFluidMixture +( + pureMixture, + constRealGasTransport, + realGasSpecieThermo, + nasaHeatCapacityPolynomial, + soaveRedlichKwong +); + +makeBasicRealFluidMixture +( + pureMixture, + sutherlandRealGasTransport, + realGasSpecieThermo, + constantHeatCapacity, + redlichKwong +); + +makeBasicRealFluidMixture +( + pureMixture, + sutherlandRealGasTransport, + realGasSpecieThermo, + constantHeatCapacity, + pengRobinson +); + +makeBasicRealFluidMixture +( + pureMixture, + sutherlandRealGasTransport, + realGasSpecieThermo, + constantHeatCapacity, + aungierRedlichKwong +); + +makeBasicRealFluidMixture +( + pureMixture, + sutherlandRealGasTransport, + realGasSpecieThermo, + constantHeatCapacity, + soaveRedlichKwong +); + +makeBasicRealFluidMixture +( + pureMixture, + constRealGasTransport, + realGasSpecieThermo, + constantHeatCapacity, + redlichKwong +); + +makeBasicRealFluidMixture +( + pureMixture, + constRealGasTransport, + realGasSpecieThermo, + constantHeatCapacity, + pengRobinson +); + +makeBasicRealFluidMixture +( + pureMixture, + constRealGasTransport, + realGasSpecieThermo, + constantHeatCapacity, + aungierRedlichKwong +); + +makeBasicRealFluidMixture +( + pureMixture, + constRealGasTransport, + realGasSpecieThermo, + constantHeatCapacity, + soaveRedlichKwong +); + // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // } // End namespace Foam diff --git a/src/thermophysicalModels/basic/mixtures/basicMixture/makeBasicMixture.H b/src/thermophysicalModels/basic/mixtures/basicMixture/makeBasicMixture.H index 6dd52fc72..bf9334804 100644 --- a/src/thermophysicalModels/basic/mixtures/basicMixture/makeBasicMixture.H +++ b/src/thermophysicalModels/basic/mixtures/basicMixture/makeBasicMixture.H @@ -46,6 +46,17 @@ defineTemplateTypeNameAndDebugWithName \ // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // +#define makeBasicRealFluidMixture(Mixture,Transport,SpecieThermo,Thermo,EqnOfState) \ + \ +typedef Mixture > > > \ + Mixture##Transport##SpecieThermo##Thermo##EqnOfState; \ + \ +defineTemplateTypeNameAndDebugWithName \ + (Mixture##Transport##SpecieThermo##Thermo##EqnOfState, \ + #Mixture"<"#Transport"<"#SpecieThermo"<"#Thermo"<"#EqnOfState">>>>", 0) + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + #endif // ************************************************************************* // diff --git a/src/thermophysicalModels/basic/psiThermo/basicPsiThermo/basicPsiThermo.C b/src/thermophysicalModels/basic/psiThermo/basicPsiThermo/basicPsiThermo.C index 5cbc60369..e5f8d733b 100644 --- a/src/thermophysicalModels/basic/psiThermo/basicPsiThermo/basicPsiThermo.C +++ b/src/thermophysicalModels/basic/psiThermo/basicPsiThermo/basicPsiThermo.C @@ -48,4 +48,19 @@ Foam::basicPsiThermo::~basicPsiThermo() {} +// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * // + +const Foam::volScalarField& Foam::basicPsiThermo::drhodh() const +{ + notImplemented("basicPsiThermo::drhodh()"); + return const_cast(volScalarField::null()); +} + +const Foam::volScalarField& Foam::basicPsiThermo::drhode() const +{ + notImplemented("basicPsiThermo::drhode()"); + return const_cast(volScalarField::null()); +} + + // ************************************************************************* // diff --git a/src/thermophysicalModels/basic/psiThermo/basicPsiThermo/basicPsiThermo.H b/src/thermophysicalModels/basic/psiThermo/basicPsiThermo/basicPsiThermo.H index 41a1e3613..4b8b04e0c 100644 --- a/src/thermophysicalModels/basic/psiThermo/basicPsiThermo/basicPsiThermo.H +++ b/src/thermophysicalModels/basic/psiThermo/basicPsiThermo/basicPsiThermo.H @@ -108,6 +108,12 @@ public: { return p_*psi(); } + + //CL: drhodh needed for pressure equation of the real gas solver + virtual const volScalarField& drhodh() const; + + //CL: drhode needed for pressure equation of the real gas solver + virtual const volScalarField& drhode() const; }; diff --git a/src/thermophysicalModels/basic/psiThermo/basicPsiThermo/makeBasicPsiThermo.H b/src/thermophysicalModels/basic/psiThermo/basicPsiThermo/makeBasicPsiThermo.H index 2b23c26ed..61fd8bd86 100644 --- a/src/thermophysicalModels/basic/psiThermo/basicPsiThermo/makeBasicPsiThermo.H +++ b/src/thermophysicalModels/basic/psiThermo/basicPsiThermo/makeBasicPsiThermo.H @@ -60,6 +60,28 @@ addToRunTimeSelectionTable \ // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // +#define makeBasicRealGasThermo(Cthermo,Mixture,Transport,SpecieThermo,Thermo,EqnOfState)\ + \ +typedef Cthermo > > > > \ + Cthermo##Mixture##Transport##SpecieThermo##Thermo##EqnOfState; \ + \ +defineTemplateTypeNameAndDebugWithName \ +( \ + Cthermo##Mixture##Transport##SpecieThermo##Thermo##EqnOfState, \ + #Cthermo \ + "<"#Mixture"<"#Transport"<"#SpecieThermo"<"#Thermo"<"#EqnOfState">>>>>", \ + 0 \ +); \ + \ +addToRunTimeSelectionTable \ +( \ + basicPsiThermo, \ + Cthermo##Mixture##Transport##SpecieThermo##Thermo##EqnOfState, \ + fvMesh \ +) + + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // #endif // ************************************************************************* // diff --git a/src/thermophysicalModels/basic/psiThermo/realGasEThermo/realGasEThermo.C b/src/thermophysicalModels/basic/psiThermo/realGasEThermo/realGasEThermo.C new file mode 100755 index 000000000..ef9a384fe --- /dev/null +++ b/src/thermophysicalModels/basic/psiThermo/realGasEThermo/realGasEThermo.C @@ -0,0 +1,516 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +------------------------------------------------------------------------------- +License + This file is part of foam-extend. + + foam-extend is free software: you can redistribute it and/or modify it + under the terms of the GNU General Public License as published by the + Free Software Foundation, either version 3 of the License, or (at your + option) any later version. + + foam-extend is distributed in the hope that it will be useful, but + WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + General Public License for more details. + + You should have received a copy of the GNU General Public License + along with foam-extend. If not, see . + +Author +Christian Lucas +Institut für Thermodynamik +Technische Universität Braunschweig +Germany + +\*---------------------------------------------------------------------------*/ + +#include "realGasEThermo.H" + +// * * * * * * * * * * * * * Private Member Functions * * * * * * * * * * * // + +template +void Foam::realGasEThermo::calculate() +{ + const scalarField& eCells = e_.internalField(); + const scalarField& pCells = this->p_.internalField(); + + scalarField& TCells = this->T_.internalField(); + scalarField& rhoCells= this->rho_.internalField(); + scalarField& psiCells = this->psi_.internalField(); + scalarField& drhodeCells = this->drhode_.internalField(); + scalarField& muCells = this->mu_.internalField(); + scalarField& alphaCells = this->alpha_.internalField(); + + + forAll(TCells, celli) + { + const typename MixtureType::thermoType& mixture_ = + this->cellMixture(celli); + + mixture_.TE(eCells[celli], TCells[celli], pCells[celli], rhoCells[celli]); + psiCells[celli]=mixture_.psiE(rhoCells[celli], TCells[celli]); + drhodeCells[celli]=mixture_.drhodE(rhoCells[celli], TCells[celli]); + muCells[celli] = mixture_.mu(TCells[celli]); + alphaCells[celli] = mixture_.alpha(rhoCells[celli], TCells[celli]); + } + + + forAll(T_.boundaryField(), patchi) + { + fvPatchScalarField& pp = this->p_.boundaryField()[patchi]; + fvPatchScalarField& pT = this->T_.boundaryField()[patchi]; + fvPatchScalarField& ppsi = this->psi_.boundaryField()[patchi]; + fvPatchScalarField& pdrhode = this->drhode_.boundaryField()[patchi]; + fvPatchScalarField& prho = this->rho_.boundaryField()[patchi]; + fvPatchScalarField& pe = e_.boundaryField()[patchi]; + fvPatchScalarField& pmu = this->mu_.boundaryField()[patchi]; + fvPatchScalarField& palpha = this->alpha_.boundaryField()[patchi]; + + + if (pT.fixesValue()) + { + + forAll(pT, facei) + { + const typename MixtureType::thermoType& mixture_ = + this->patchFaceMixture(patchi, facei); + + prho[facei] = mixture_.rho(pp[facei], pT[facei],prho[facei]); + ppsi[facei]=mixture_.psiE(prho[facei],pT[facei]); + pdrhode[facei]=mixture_.drhodE(prho[facei],pT[facei]); + pe[facei] = mixture_.E(prho[facei], pT[facei]); + pmu[facei] = mixture_.mu(pT[facei]); + palpha[facei] = mixture_.alpha(prho[facei],pT[facei]); + } + } + else + { + forAll(pT, facei) + { + const typename MixtureType::thermoType& mixture_ = + this->patchFaceMixture(patchi, facei); + mixture_.TE(pe[facei], pT[facei],pp[facei],prho[facei]); + pmu[facei] = mixture_.mu(pT[facei]); + ppsi[facei]=mixture_.psiE(prho[facei],pT[facei]); + pdrhode[facei]=mixture_.drhodE(prho[facei],pT[facei]); + palpha[facei] = mixture_.alpha(prho[facei],pT[facei]); + } + } + } +} + + +// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * // + +template +Foam::realGasEThermo::realGasEThermo +( + const fvMesh& mesh, + const objectRegistry& obj +) +: + basicPsiThermo(mesh, obj), + MixtureType(*this, mesh, obj), + + e_ + ( + IOobject + ( + "e", + mesh.time().timeName(), + mesh, + IOobject::NO_READ, + IOobject::NO_WRITE + ), + mesh, + dimensionSet(0, 2, -2, 0, 0), + this->eBoundaryTypes() + ), + + rho_ + ( + IOobject + ( + "rhoThermo", + mesh.time().timeName(), + mesh, + IOobject::READ_IF_PRESENT, + IOobject::NO_WRITE + ), + mesh, + dimDensity + ), + + drhode_ + ( + IOobject + ( + "drhode", + mesh.time().timeName(), + mesh, + IOobject::NO_READ, + IOobject::NO_WRITE + ), + mesh, + dimensionSet(1, -5, 2, 0, 0) + ) +{ + + scalarField& eCells = e_.internalField(); + const scalarField& TCells = this->T_.internalField(); + const scalarField& pCells =this->p_.internalField(); + scalarField& rhoCells =this->rho_.internalField(); + + + forAll(rhoCells, celli) + { + rhoCells[celli]=this->cellMixture(celli).rho(pCells[celli],TCells[celli]); + } + + + forAll(rho_.boundaryField(), patchi) + { + rho_.boundaryField()[patchi] == + rho(this->T_.boundaryField()[patchi], patchi); + } + + + forAll(eCells, celli) + { + eCells[celli] = this->cellMixture(celli).E(rhoCells[celli],TCells[celli]); + } + + + forAll(e_.boundaryField(), patchi) + { + e_.boundaryField()[patchi] == + e(this->T_.boundaryField()[patchi], patchi); + } + + eBoundaryCorrection(e_); + calculate(); + + // Switch on saving old time + this->psi_.oldTime(); + +} + + +// * * * * * * * * * * * * * * * * Destructor * * * * * * * * * * * * * * * // + +template +Foam::realGasEThermo::~realGasEThermo() +{} + + +// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * // + +template +void Foam::realGasEThermo::correct() +{ + if (debug) + { + Info<< "entering realGasEThermo::correct()" << endl; + } + + // force the saving of the old-time values + this->psi_.oldTime(); + + calculate(); + + if (debug) + { + Info<< "exiting realGasEThermo::correct()" << endl; + } +} + + +template +Foam::tmp Foam::realGasEThermo::e +( + const scalarField& T, + const labelList& cells +) const +{ + //CL: need the pressure of the internal field to calculate the realGas internal energy + //CL: this is done this way to assure compatibility to old OF Thermo-Versions + const scalarField& pCells = this->p_.internalField(); + + tmp te(new scalarField(T.size())); + scalarField& e = te(); + + forAll(T, celli) + { + e[celli] = this->cellMixture(cells[celli]).E(this->cellMixture(cells[celli]).rho(pCells[cells[celli]],T[celli]),T[celli]); + } + + return te; +} + + +template +Foam::tmp Foam::realGasEThermo::e +( + const scalarField& T, + const label patchi +) const +{ + //CL: need the pressure at the patch to calculate the realGas internal energy + //CL: this is done this way to assure compatibility to old OF Thermo-Versions + const fvPatchScalarField& pp = this->p_.boundaryField()[patchi]; + + tmp te(new scalarField(T.size())); + scalarField& e = te(); + + forAll(T, facei) + { + e[facei] = this->patchFaceMixture(patchi, facei).E(this->patchFaceMixture(patchi, facei).rho(pp[facei], T[facei]),T[facei]); + } + + return te; +} + + +template +Foam::tmp Foam::realGasEThermo::rho +( + const scalarField& T, + const label patchi +) const +{ + //CL: need the pressure at the patch to calculate the realGas density + //CL: this is done this way to assure compatibility to old OF Thermo-Versions + const fvPatchScalarField& pp = this->p_.boundaryField()[patchi]; + + tmp trho(new scalarField(T.size())); + scalarField& rho = trho(); + + forAll(T, facei) + { + rho[facei] = this->patchFaceMixture(patchi, facei).rho(pp[facei], T[facei]); + } + + return trho; +} + + +template +Foam::tmp Foam::realGasEThermo::Cp +( + const scalarField& T, + const label patchi +) const +{ + //CL: need the pressure at the patch to calculate the realGas cp + //CL: this is done this way to assure compatibility to old OF Thermo-Versions + const fvPatchScalarField& pp = this->p_.boundaryField()[patchi]; + + tmp tCp(new scalarField(T.size())); + scalarField& cp = tCp(); + + forAll(T, facei) + { + cp[facei] = this->patchFaceMixture(patchi, facei).Cp(this->patchFaceMixture(patchi, facei).rho(pp[facei], T[facei]),T[facei]); + } + + return tCp; +} + + +template +Foam::tmp Foam::realGasEThermo::Cp() const +{ + const fvMesh& mesh = this->T_.mesh(); + + tmp tCp + ( + new volScalarField + ( + IOobject + ( + "Cp", + mesh.time().timeName(), + mesh, + IOobject::NO_READ, + IOobject::AUTO_WRITE + ), + mesh, + dimensionSet(0, 2, -2, -1, 0), + this->T_.boundaryField().types() + ) + ); + + volScalarField& cp = tCp(); + + forAll(this->T_, celli) + { + cp[celli] = this->cellMixture(celli).Cp(this->rho_[celli], this->T_[celli]); + } + + forAll(this->T_.boundaryField(), patchi) + { + const fvPatchScalarField& pT = this->T_.boundaryField()[patchi]; + const fvPatchScalarField& prho = this->rho_.boundaryField()[patchi]; + fvPatchScalarField& pCp = cp.boundaryField()[patchi]; + + forAll(pT, facei) + { + pCp[facei] = this->patchFaceMixture(patchi, facei).Cp(prho[facei], pT[facei]); + } + } + + return tCp; +} + + +template +Foam::tmp Foam::realGasEThermo::Cv +( + const scalarField& T, + const label patchi +) const +{ + //CL: need the pressure at the patch to calculate the realGas internal energy + //CL: this is done this way to assure compatibility to old OF Thermo-Versions + const fvPatchScalarField& pp = this->p_.boundaryField()[patchi]; + + tmp tCv(new scalarField(T.size())); + scalarField& cv = tCv(); + + forAll(T, facei) + { + cv[facei] = this->patchFaceMixture(patchi, facei).Cv(this->patchFaceMixture(patchi, facei).rho(pp[facei], T[facei]), T[facei]); + } + + return tCv; +} + + +// CL: Maybe this function should be changed so that it is not "const" function anymore +template +Foam::tmp Foam::realGasEThermo::rho() const +{ + + const fvMesh& mesh = this->T_.mesh(); + + //CL: create an rho Field, which will be return + //CL: the problem is that this function is "const", + //CL: so a new variabel is needed + tmp trho + ( + new volScalarField + ( + IOobject + ( + "rhoFunctionThermo", + mesh.time().timeName(), + mesh, + IOobject::NO_READ, + IOobject::NO_WRITE + ), + mesh, + dimDensity + ) + ); + + //CL: copy "old" rho value onto the new rho field as start point + //CL: for the newton solver used in this->TE( ... ) + trho()=rho_; + + volScalarField& rho = trho(); + + const scalarField& eCells = e_.internalField(); + const scalarField& pCells = this->p_.internalField(); + scalarField TCells = this->T_.internalField(); + + forAll(pCells, celli) + { + const typename MixtureType::thermoType& mixture_ = + this->cellMixture(celli); + + // getting the new rho Field + mixture_.TE(eCells[celli], TCells[celli], pCells[celli], rho[celli]); + } + + forAll(p_.boundaryField(), patchi) + { + fvPatchScalarField pp = this->p_.boundaryField()[patchi]; + fvPatchScalarField pe = e_.boundaryField()[patchi]; + fvPatchScalarField pT = this->T_.boundaryField()[patchi]; + + fvPatchScalarField& prho_ = rho.boundaryField()[patchi]; + + forAll(pp, facei) + { + const typename MixtureType::thermoType& mixture_ = + this->patchFaceMixture(patchi, facei); + + // getting the new rho patch Field + mixture_.TE(pe[facei], pT[facei],pp[facei],prho_[facei]); + } + } + return trho; +} + + +template +Foam::tmp Foam::realGasEThermo::Cv() const +{ + + const fvMesh& mesh = this->T_.mesh(); + + tmp tCv + ( + new volScalarField + ( + IOobject + ( + "Cv", + mesh.time().timeName(), + mesh, + IOobject::NO_READ, + IOobject::AUTO_WRITE + ), + mesh, + dimensionSet(0, 2, -2, -1, 0) + ) + ); + + volScalarField& cv = tCv(); + + forAll(this->T_, celli) + { + cv[celli] = this->cellMixture(celli).Cv(this->rho_[celli], this->T_[celli]); + } + + forAll(this->T_.boundaryField(), patchi) + { + cv.boundaryField()[patchi] = + Cv(this->T_.boundaryField()[patchi], patchi); + } + + return tCv; +} + + +template +bool Foam::realGasEThermo::read() +{ + if (basicPsiThermo::read()) + { + MixtureType::read(*this); + return true; + } + else + { + return false; + } +} + + +// ************************************************************************* // diff --git a/src/thermophysicalModels/basic/psiThermo/realGasEThermo/realGasEThermo.H b/src/thermophysicalModels/basic/psiThermo/realGasEThermo/realGasEThermo.H new file mode 100755 index 000000000..df1aa4570 --- /dev/null +++ b/src/thermophysicalModels/basic/psiThermo/realGasEThermo/realGasEThermo.H @@ -0,0 +1,203 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +------------------------------------------------------------------------------- +License + This file is part of foam-extend. + + foam-extend is free software: you can redistribute it and/or modify it + under the terms of the GNU General Public License as published by the + Free Software Foundation, either version 3 of the License, or (at your + option) any later version. + + foam-extend is distributed in the hope that it will be useful, but + WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + General Public License for more details. + + You should have received a copy of the GNU General Public License + along with foam-extend. If not, see . + +Class + Foam::realGasEThermo + +Description + Internal energy for a real gas fluid libary + + +SourceFiles + realGasEThermo.C + +Author +Christian Lucas +Institut für Thermodynamik +Technische Universität Braunschweig +Germany + +\*---------------------------------------------------------------------------*/ + +#ifndef realGasEThermo_H +#define realGasEThermo_H + +#include "basicPsiThermo.H" +#include "basicMixture.H" + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +namespace Foam +{ + +/*---------------------------------------------------------------------------*\ + Class realGasEThermo Declaration +\*---------------------------------------------------------------------------*/ + +template +class realGasEThermo +: + public basicPsiThermo, + public MixtureType +{ + // Private data + + //- Enthalpy field + volScalarField e_; + + //- DensityField + volScalarField rho_; + + //- drhode_Field + volScalarField drhode_; + + // Private member functions + + //- Calculate the thermo variables + void calculate(); + + //- Construct as copy (not implemented) + realGasEThermo(const realGasEThermo&); + + +public: + + //- Runtime type information + TypeName("realGasEThermo"); + + + // Constructors + + //- Construct from mesh + realGasEThermo(const fvMesh&, const objectRegistry& obj); + + //- Destructor + virtual ~realGasEThermo(); + + + // Member functions + + //- Return the compostion of the mixture + virtual basicMixture& composition() + { + return *this; + } + + //- Return the compostion of the mixture + virtual const basicMixture& composition() const + { + return *this; + } + + //- Update properties + virtual void correct(); + + + // Access to thermodynamic state variables + + //- Enthalpy [J/kg] + // Non-const access allowed for transport equations + virtual volScalarField& e() + { + return e_; + } + + //- Enthalpy [J/kg] + virtual const volScalarField& e() const + { + return e_; + } + + //CL: drhode needed for pressure equation of the real gas solver + virtual const volScalarField& drhode() const + { + return drhode_; + } + + // Fields derived from thermodynamic state variables + + //- Enthalpy for cell-set [J/kg] + virtual tmp e + ( + const scalarField& T, + const labelList& cells + ) const; + + //- Enthalpy for patch [J/kg] + virtual tmp e + ( + const scalarField& T, + const label patchi + ) const; + + //- Density for patch [J/kg] + virtual tmp rho + ( + const scalarField& T, + const label patchi + ) const; + + //- Heat capacity at constant pressure for patch [J/kg/K] + virtual tmp Cp + ( + const scalarField& T, + const label patchi + ) const; + + //- Heat capacity at constant pressure [J/kg/K] + virtual tmp Cp() const; + + //- Heat capacity at constant volume for patch [J/kg/K] + virtual tmp Cv + ( + const scalarField& T, + const label patchi + ) const; + + //- Heat capacity at constant volume [J/kg/K] + virtual tmp Cv() const; + + //- Density [kg/m^3] - uses current value of pressure + virtual tmp rho() const; + + + //- Read thermophysicalProperties dictionary + virtual bool read(); +}; + + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +} // End namespace Foam + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * + +#ifdef NoRepository +# include "realGasEThermo.C" +#endif + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +#endif + +// ************************************************************************* // diff --git a/src/thermophysicalModels/basic/psiThermo/realGasEThermo/realGasEThermos.C b/src/thermophysicalModels/basic/psiThermo/realGasEThermo/realGasEThermos.C new file mode 100755 index 000000000..3d9ac2678 --- /dev/null +++ b/src/thermophysicalModels/basic/psiThermo/realGasEThermo/realGasEThermos.C @@ -0,0 +1,237 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +------------------------------------------------------------------------------- +License + This file is part of foam-extend. + + foam-extend is free software: you can redistribute it and/or modify it + under the terms of the GNU General Public License as published by the + Free Software Foundation, either version 3 of the License, or (at your + option) any later version. + + foam-extend is distributed in the hope that it will be useful, but + WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + General Public License for more details. + + You should have received a copy of the GNU General Public License + along with foam-extend. If not, see . + +Author +Christian Lucas +Institut für Thermodynamik +Technische Universität Braunschweig +Germany + +\*---------------------------------------------------------------------------*/ + + +#include "makeBasicPsiThermo.H" + +#include "redlichKwong.H" +#include "pengRobinson.H" +#include "aungierRedlichKwong.H" +#include "soaveRedlichKwong.H" +#include "nasaHeatCapacityPolynomial.H" +#include "realGasSpecieThermo.H" +#include "constTransport.H" +#include "constRealGasTransport.H" +#include "sutherlandTransport.H" +#include "sutherlandRealGasTransport.H" +#include "constantHeatCapacity.H" +#include "pureMixture.H" +#include "realGasEThermo.H" + + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +namespace Foam +{ + +/* * * * * * * * * * * * * * * private static data * * * * * * * * * * * * * */ + +makeBasicRealGasThermo +( + realGasEThermo, + pureMixture, + sutherlandRealGasTransport, + realGasSpecieThermo, + nasaHeatCapacityPolynomial, + pengRobinson +); + + +makeBasicRealGasThermo +( + realGasEThermo, + pureMixture, + sutherlandRealGasTransport, + realGasSpecieThermo, + nasaHeatCapacityPolynomial, + aungierRedlichKwong +); + + +makeBasicRealGasThermo +( + realGasEThermo, + pureMixture, + sutherlandRealGasTransport, + realGasSpecieThermo, + nasaHeatCapacityPolynomial, + redlichKwong +); + + +makeBasicRealGasThermo +( + realGasEThermo, + pureMixture, + sutherlandRealGasTransport, + realGasSpecieThermo, + nasaHeatCapacityPolynomial, + soaveRedlichKwong +); + + +makeBasicRealGasThermo +( + realGasEThermo, + pureMixture, + constRealGasTransport, + realGasSpecieThermo, + nasaHeatCapacityPolynomial, + pengRobinson +); + + +makeBasicRealGasThermo +( + realGasEThermo, + pureMixture, + constRealGasTransport, + realGasSpecieThermo, + nasaHeatCapacityPolynomial, + aungierRedlichKwong +); + + +makeBasicRealGasThermo +( + realGasEThermo, + pureMixture, + constRealGasTransport, + realGasSpecieThermo, + nasaHeatCapacityPolynomial, + redlichKwong +); + + +makeBasicRealGasThermo +( + realGasEThermo, + pureMixture, + constRealGasTransport, + realGasSpecieThermo, + nasaHeatCapacityPolynomial, + soaveRedlichKwong +); + + +makeBasicRealGasThermo +( + realGasEThermo, + pureMixture, + sutherlandRealGasTransport, + realGasSpecieThermo, + constantHeatCapacity, + pengRobinson +); + + +makeBasicRealGasThermo +( + realGasEThermo, + pureMixture, + sutherlandRealGasTransport, + realGasSpecieThermo, + constantHeatCapacity, + aungierRedlichKwong +); + + +makeBasicRealGasThermo +( + realGasEThermo, + pureMixture, + sutherlandRealGasTransport, + realGasSpecieThermo, + constantHeatCapacity, + redlichKwong +); + + +makeBasicRealGasThermo +( + realGasEThermo, + pureMixture, + sutherlandRealGasTransport, + realGasSpecieThermo, + constantHeatCapacity, + soaveRedlichKwong +); + + +makeBasicRealGasThermo +( + realGasEThermo, + pureMixture, + constRealGasTransport, + realGasSpecieThermo, + constantHeatCapacity, + pengRobinson +); + + +makeBasicRealGasThermo +( + realGasEThermo, + pureMixture, + constRealGasTransport, + realGasSpecieThermo, + constantHeatCapacity, + aungierRedlichKwong +); + + +makeBasicRealGasThermo +( + realGasEThermo, + pureMixture, + constRealGasTransport, + realGasSpecieThermo, + constantHeatCapacity, + redlichKwong +); + + +makeBasicRealGasThermo +( + realGasEThermo, + pureMixture, + constRealGasTransport, + realGasSpecieThermo, + constantHeatCapacity, + soaveRedlichKwong +); + + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +} // End namespace Foam + +// ************************************************************************* // diff --git a/src/thermophysicalModels/basic/psiThermo/realGasHThermo/realGasHThermo.C b/src/thermophysicalModels/basic/psiThermo/realGasHThermo/realGasHThermo.C new file mode 100755 index 000000000..970194f6a --- /dev/null +++ b/src/thermophysicalModels/basic/psiThermo/realGasHThermo/realGasHThermo.C @@ -0,0 +1,517 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +------------------------------------------------------------------------------- +License + This file is part of foam-extend. + + foam-extend is free software: you can redistribute it and/or modify it + under the terms of the GNU General Public License as published by the + Free Software Foundation, either version 3 of the License, or (at your + option) any later version. + + foam-extend is distributed in the hope that it will be useful, but + WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + General Public License for more details. + + You should have received a copy of the GNU General Public License + along with foam-extend. If not, see . + +Author +Christian Lucas +Institut für Thermodynamik +Technische Universität Braunschweig +Germany + +\*---------------------------------------------------------------------------*/ + +#include "realGasHThermo.H" + +// * * * * * * * * * * * * * Private Member Functions * * * * * * * * * * * // + +template +void Foam::realGasHThermo::calculate() +{ + const scalarField& hCells = h_.internalField(); + const scalarField& pCells = this->p_.internalField(); + + scalarField& TCells = this->T_.internalField(); + scalarField& rhoCells= this->rho_.internalField(); + scalarField& psiCells = this->psi_.internalField(); + scalarField& drhodhCells = this->drhodh_.internalField(); + scalarField& muCells = this->mu_.internalField(); + scalarField& alphaCells = this->alpha_.internalField(); + + + forAll(TCells, celli) + { + const typename MixtureType::thermoType& mixture_ = + this->cellMixture(celli); + + mixture_.TH(hCells[celli], TCells[celli], pCells[celli], rhoCells[celli]); + psiCells[celli]=mixture_.psi(rhoCells[celli], TCells[celli]); + drhodhCells[celli]=mixture_.drhodH(rhoCells[celli], TCells[celli]); + muCells[celli] = mixture_.mu(TCells[celli]); + alphaCells[celli] = mixture_.alpha(rhoCells[celli], TCells[celli]); + } + + + forAll(T_.boundaryField(), patchi) + { + fvPatchScalarField& pp = this->p_.boundaryField()[patchi]; + fvPatchScalarField& pT = this->T_.boundaryField()[patchi]; + fvPatchScalarField& ppsi = this->psi_.boundaryField()[patchi]; + fvPatchScalarField& pdrhodh = this->drhodh_.boundaryField()[patchi]; + fvPatchScalarField& prho = this->rho_.boundaryField()[patchi]; + fvPatchScalarField& ph = h_.boundaryField()[patchi]; + fvPatchScalarField& pmu = this->mu_.boundaryField()[patchi]; + fvPatchScalarField& palpha = this->alpha_.boundaryField()[patchi]; + + + if (pT.fixesValue()) + { + + forAll(pT, facei) + { + const typename MixtureType::thermoType& mixture_ = + this->patchFaceMixture(patchi, facei); + + prho[facei] = mixture_.rho(pp[facei], pT[facei],prho[facei]); + ppsi[facei]=mixture_.psi(prho[facei],pT[facei]); + pdrhodh[facei]=mixture_.drhodH(prho[facei],pT[facei]); + ph[facei] = mixture_.H(prho[facei], pT[facei]); + pmu[facei] = mixture_.mu(pT[facei]); + palpha[facei] = mixture_.alpha(prho[facei],pT[facei]); + } + } + else + { + forAll(pT, facei) + { + const typename MixtureType::thermoType& mixture_ = + this->patchFaceMixture(patchi, facei); + + mixture_.TH(ph[facei], pT[facei],pp[facei],prho[facei]); + pmu[facei] = mixture_.mu(pT[facei]); + ppsi[facei]=mixture_.psi(prho[facei],pT[facei]); + pdrhodh[facei]=mixture_.drhodH(prho[facei],pT[facei]); + palpha[facei] = mixture_.alpha(prho[facei],pT[facei]); + } + } + } +} + + +// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * // + +template +Foam::realGasHThermo::realGasHThermo +( + const fvMesh& mesh, + const objectRegistry& obj +) +: + basicPsiThermo(mesh, obj), + MixtureType(*this, mesh, obj), + + h_ + ( + IOobject + ( + "h", + mesh.time().timeName(), + mesh, + IOobject::NO_READ, + IOobject::NO_WRITE + ), + mesh, + dimensionSet(0, 2, -2, 0, 0), + this->hBoundaryTypes() + ), + + rho_ + ( + IOobject + ( + "rhoThermo", + mesh.time().timeName(), + mesh, + IOobject::READ_IF_PRESENT, + IOobject::NO_WRITE + ), + mesh, + dimDensity + ), + + drhodh_ + ( + IOobject + ( + "drhodh", + mesh.time().timeName(), + mesh, + IOobject::NO_READ, + IOobject::NO_WRITE + ), + mesh, + dimensionSet(1, -5, 2, 0, 0) + ) +{ + + scalarField& hCells = h_.internalField(); + const scalarField& TCells = this->T_.internalField(); + const scalarField& pCells =this->p_.internalField(); + scalarField& rhoCells =this->rho_.internalField(); + + + forAll(rhoCells, celli) + { + rhoCells[celli]=this->cellMixture(celli).rho(pCells[celli],TCells[celli]); + } + + + forAll(rho_.boundaryField(), patchi) + { + rho_.boundaryField()[patchi] == + rho(this->T_.boundaryField()[patchi], patchi); + } + + + forAll(hCells, celli) + { + hCells[celli] = this->cellMixture(celli).H(rhoCells[celli],TCells[celli]); + } + + + forAll(h_.boundaryField(), patchi) + { + h_.boundaryField()[patchi] == + h(this->T_.boundaryField()[patchi], patchi); + } + + hBoundaryCorrection(h_); + calculate(); + + // Switch on saving old time + this->psi_.oldTime(); + +} + + +// * * * * * * * * * * * * * * * * Destructor * * * * * * * * * * * * * * * // + +template +Foam::realGasHThermo::~realGasHThermo() +{} + + +// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * // + +template +void Foam::realGasHThermo::correct() +{ + if (debug) + { + Info<< "entering realGasHThermo::correct()" << endl; + } + + // force the saving of the old-time values + this->psi_.oldTime(); + + calculate(); + + if (debug) + { + Info<< "exiting realGasHThermo::correct()" << endl; + } +} + + +template +Foam::tmp Foam::realGasHThermo::h +( + const scalarField& T, + const labelList& cells +) const +{ + //CL: need the pressure of the internal field to calculate the realGas enthalpy + //CL: this is done this way to assure compatibility to old OF Thermo-Versions + const scalarField& pCells = this->p_.internalField(); + + tmp th(new scalarField(T.size())); + scalarField& h = th(); + + forAll(T, celli) + { + h[celli] = this->cellMixture(cells[celli]).H(this->cellMixture(cells[celli]).rho(pCells[cells[celli]],T[celli]),T[celli]); + } + + return th; +} + + +template +Foam::tmp Foam::realGasHThermo::h +( + const scalarField& T, + const label patchi +) const +{ + //CL: need the pressure at the patch to calculate the realGas enthalpy + //CL: this is done this way to assure compatibility to old OF Thermo-Versions + const fvPatchScalarField& pp = this->p_.boundaryField()[patchi]; + + tmp th(new scalarField(T.size())); + scalarField& h = th(); + + forAll(T, facei) + { + h[facei] = this->patchFaceMixture(patchi, facei).H(this->patchFaceMixture(patchi, facei).rho(pp[facei], T[facei]),T[facei]); + } + + return th; +} + + +template +Foam::tmp Foam::realGasHThermo::rho +( + const scalarField& T, + const label patchi +) const +{ + //CL: need the pressure at the patch to calculate the realGas enthalpy + //CL: this is done this way to assure compatibility to old OF Thermo-Versions + const fvPatchScalarField& pp = this->p_.boundaryField()[patchi]; + + tmp trho(new scalarField(T.size())); + scalarField& rho = trho(); + + forAll(T, facei) + { + rho[facei] = this->patchFaceMixture(patchi, facei).rho(pp[facei], T[facei]); + } + + return trho; +} + + +template +Foam::tmp Foam::realGasHThermo::Cp +( + const scalarField& T, + const label patchi +) const +{ + //CL: need the pressure at the patch to calculate the realGas enthalpy + //CL: this is done this way to assure compatibility to old OF Thermo-Versions + const fvPatchScalarField& pp = this->p_.boundaryField()[patchi]; + + tmp tCp(new scalarField(T.size())); + scalarField& cp = tCp(); + + forAll(T, facei) + { + cp[facei] = this->patchFaceMixture(patchi, facei).Cp(this->patchFaceMixture(patchi, facei).rho(pp[facei], T[facei]),T[facei]); + } + + return tCp; +} + + +template +Foam::tmp Foam::realGasHThermo::Cp() const +{ + const fvMesh& mesh = this->T_.mesh(); + + tmp tCp + ( + new volScalarField + ( + IOobject + ( + "Cp", + mesh.time().timeName(), + mesh, + IOobject::NO_READ, + IOobject::AUTO_WRITE + ), + mesh, + dimensionSet(0, 2, -2, -1, 0), + this->T_.boundaryField().types() + ) + ); + + volScalarField& cp = tCp(); + + forAll(this->T_, celli) + { + cp[celli] = this->cellMixture(celli).Cp(this->rho_[celli], this->T_[celli]); + } + + forAll(this->T_.boundaryField(), patchi) + { + const fvPatchScalarField& pT = this->T_.boundaryField()[patchi]; + const fvPatchScalarField& prho = this->rho_.boundaryField()[patchi]; + fvPatchScalarField& pCp = cp.boundaryField()[patchi]; + + forAll(pT, facei) + { + pCp[facei] = this->patchFaceMixture(patchi, facei).Cp(prho[facei], pT[facei]); + } + } + + return tCp; +} + + +template +Foam::tmp Foam::realGasHThermo::Cv +( + const scalarField& T, + const label patchi +) const +{ + //CL: need the pressure at the patch to calculate the realGas enthalpy + //CL: this is done this way to assure compatibility to old OF Thermo-Versions + const fvPatchScalarField& pp = this->p_.boundaryField()[patchi]; + + tmp tCv(new scalarField(T.size())); + scalarField& cv = tCv(); + + forAll(T, facei) + { + cv[facei] = this->patchFaceMixture(patchi, facei).Cv(this->patchFaceMixture(patchi, facei).rho(pp[facei], T[facei]), T[facei]); + } + + return tCv; +} + + +// CL: Maybe this function should be changed so that it is not "const" fucntion anymore +template +Foam::tmp Foam::realGasHThermo::rho() const +{ + + const fvMesh& mesh = this->T_.mesh(); + + //CL: create a rho Field, which will be return + //CL: the problem is that this function is "const", + //CL: so a new variabel is needed + tmp trho + ( + new volScalarField + ( + IOobject + ( + "rhoFunctionThermo", + mesh.time().timeName(), + mesh, + IOobject::NO_READ, + IOobject::NO_WRITE + ), + mesh, + dimDensity + ) + ); + + //CL: copy "old" rho value onto the new rho field as start point + //CL: for the newton solver used in this->TH( ... ) + trho()=rho_; + + volScalarField& rho = trho(); + + const scalarField& hCells = h_.internalField(); + const scalarField& pCells = this->p_.internalField(); + scalarField TCells = this->T_.internalField(); + + forAll(pCells, celli) + { + const typename MixtureType::thermoType& mixture_ = + this->cellMixture(celli); + + // getting the new rho Field + mixture_.TH(hCells[celli], TCells[celli], pCells[celli], rho[celli]); + } + + forAll(p_.boundaryField(), patchi) + { + fvPatchScalarField pp = this->p_.boundaryField()[patchi]; + fvPatchScalarField ph = h_.boundaryField()[patchi]; + fvPatchScalarField pT = this->T_.boundaryField()[patchi]; + + fvPatchScalarField& prho_ = rho.boundaryField()[patchi]; + + forAll(pp, facei) + { + const typename MixtureType::thermoType& mixture_ = + this->patchFaceMixture(patchi, facei); + + // getting the new rho patch Field + mixture_.TH(ph[facei], pT[facei],pp[facei],prho_[facei]); + } + } + return trho; +} + + +template +Foam::tmp Foam::realGasHThermo::Cv() const +{ + + const fvMesh& mesh = this->T_.mesh(); + + tmp tCv + ( + new volScalarField + ( + IOobject + ( + "Cv", + mesh.time().timeName(), + mesh, + IOobject::NO_READ, + IOobject::AUTO_WRITE + ), + mesh, + dimensionSet(0, 2, -2, -1, 0) + ) + ); + + volScalarField& cv = tCv(); + + forAll(this->T_, celli) + { + cv[celli] = this->cellMixture(celli).Cv(this->rho_[celli], this->T_[celli]); + } + + forAll(this->T_.boundaryField(), patchi) + { + cv.boundaryField()[patchi] = + Cv(this->T_.boundaryField()[patchi], patchi); + } + + return tCv; +} + + +template +bool Foam::realGasHThermo::read() +{ + if (basicPsiThermo::read()) + { + MixtureType::read(*this); + return true; + } + else + { + return false; + } +} + + +// ************************************************************************* // diff --git a/src/thermophysicalModels/basic/psiThermo/realGasHThermo/realGasHThermo.H b/src/thermophysicalModels/basic/psiThermo/realGasHThermo/realGasHThermo.H new file mode 100755 index 000000000..05cf9c770 --- /dev/null +++ b/src/thermophysicalModels/basic/psiThermo/realGasHThermo/realGasHThermo.H @@ -0,0 +1,203 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +------------------------------------------------------------------------------- +License + This file is part of foam-extend. + + foam-extend is free software: you can redistribute it and/or modify it + under the terms of the GNU General Public License as published by the + Free Software Foundation, either version 3 of the License, or (at your + option) any later version. + + foam-extend is distributed in the hope that it will be useful, but + WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + General Public License for more details. + + You should have received a copy of the GNU General Public License + along with foam-extend. If not, see . + +Class + Foam::realGasHThermo + +Description + Enthalpy for a real gas fluid libary + + +SourceFiles + realGasHThermo.C + +Author +Christian Lucas +Institut für Thermodynamik +Technische Universität Braunschweig +Germany + +\*---------------------------------------------------------------------------*/ + +#ifndef realGasHThermo_H +#define realGasHThermo_H + +#include "basicPsiThermo.H" +#include "basicMixture.H" + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +namespace Foam +{ + +/*---------------------------------------------------------------------------*\ + Class realGasHThermo Declaration +\*---------------------------------------------------------------------------*/ + +template +class realGasHThermo +: + public basicPsiThermo, + public MixtureType +{ + // Private data + + //- Enthalpy field + volScalarField h_; + + //- DensityField + volScalarField rho_; + + //- drhodh_Field + volScalarField drhodh_; + + // Private member functions + + //- Calculate the thermo variables + void calculate(); + + //- Construct as copy (not implemented) + realGasHThermo(const realGasHThermo&); + + +public: + + //- Runtime type information + TypeName("realGasHThermo"); + + + // Constructors + + //- Construct from mesh + realGasHThermo(const fvMesh&, const objectRegistry& obj); + + //- Destructor + virtual ~realGasHThermo(); + + + // Member functions + + //- Return the compostion of the mixture + virtual basicMixture& composition() + { + return *this; + } + + //- Return the compostion of the mixture + virtual const basicMixture& composition() const + { + return *this; + } + + //- Update properties + virtual void correct(); + + + // Access to thermodynamic state variables + + //- Enthalpy [J/kg] + // Non-const access allowed for transport equations + virtual volScalarField& h() + { + return h_; + } + + //- Enthalpy [J/kg] + virtual const volScalarField& h() const + { + return h_; + } + + //CL: drhodh needed for pressure equation of the real gas solver + virtual const volScalarField& drhodh() const + { + return drhodh_; + } + + // Fields derived from thermodynamic state variables + + //- Enthalpy for cell-set [J/kg] + virtual tmp h + ( + const scalarField& T, + const labelList& cells + ) const; + + //- Enthalpy for patch [J/kg] + virtual tmp h + ( + const scalarField& T, + const label patchi + ) const; + + //- Density for patch [J/kg] + virtual tmp rho + ( + const scalarField& T, + const label patchi + ) const; + + //- Heat capacity at constant pressure for patch [J/kg/K] + virtual tmp Cp + ( + const scalarField& T, + const label patchi + ) const; + + //- Heat capacity at constant pressure [J/kg/K] + virtual tmp Cp() const; + + //- Heat capacity at constant volume for patch [J/kg/K] + virtual tmp Cv + ( + const scalarField& T, + const label patchi + ) const; + + //- Heat capacity at constant volume [J/kg/K] + virtual tmp Cv() const; + + //- Density [kg/m^3] - uses current value of pressure + virtual tmp rho() const; + + + //- Read thermophysicalProperties dictionary + virtual bool read(); +}; + + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +} // End namespace Foam + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * + +#ifdef NoRepository +# include "realGasHThermo.C" +#endif + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +#endif + +// ************************************************************************* // diff --git a/src/thermophysicalModels/basic/psiThermo/realGasHThermo/realGasHThermos.C b/src/thermophysicalModels/basic/psiThermo/realGasHThermo/realGasHThermos.C new file mode 100755 index 000000000..636632e01 --- /dev/null +++ b/src/thermophysicalModels/basic/psiThermo/realGasHThermo/realGasHThermos.C @@ -0,0 +1,235 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +------------------------------------------------------------------------------- +License + This file is part of foam-extend. + + foam-extend is free software: you can redistribute it and/or modify it + under the terms of the GNU General Public License as published by the + Free Software Foundation, either version 3 of the License, or (at your + option) any later version. + + foam-extend is distributed in the hope that it will be useful, but + WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + General Public License for more details. + + You should have received a copy of the GNU General Public License + along with foam-extend. If not, see . + +Author +Christian Lucas +Institut für Thermodynamik +Technische Universität Braunschweig +Germany + +\*---------------------------------------------------------------------------*/ + +#include "makeBasicPsiThermo.H" +#include "redlichKwong.H" +#include "pengRobinson.H" +#include "aungierRedlichKwong.H" +#include "soaveRedlichKwong.H" +#include "nasaHeatCapacityPolynomial.H" +#include "realGasSpecieThermo.H" +#include "constTransport.H" +#include "constRealGasTransport.H" +#include "sutherlandTransport.H" +#include "sutherlandRealGasTransport.H" +#include "constantHeatCapacity.H" +#include "pureMixture.H" +#include "realGasHThermo.H" + + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +namespace Foam +{ + +/* * * * * * * * * * * * * * * private static data * * * * * * * * * * * * * */ + +makeBasicRealGasThermo +( + realGasHThermo, + pureMixture, + sutherlandRealGasTransport, + realGasSpecieThermo, + nasaHeatCapacityPolynomial, + pengRobinson +); + + +makeBasicRealGasThermo +( + realGasHThermo, + pureMixture, + sutherlandRealGasTransport, + realGasSpecieThermo, + nasaHeatCapacityPolynomial, + aungierRedlichKwong +); + + +makeBasicRealGasThermo +( + realGasHThermo, + pureMixture, + sutherlandRealGasTransport, + realGasSpecieThermo, + nasaHeatCapacityPolynomial, + redlichKwong +); + + +makeBasicRealGasThermo +( + realGasHThermo, + pureMixture, + sutherlandRealGasTransport, + realGasSpecieThermo, + nasaHeatCapacityPolynomial, + soaveRedlichKwong +); + + +makeBasicRealGasThermo +( + realGasHThermo, + pureMixture, + constRealGasTransport, + realGasSpecieThermo, + nasaHeatCapacityPolynomial, + pengRobinson +); + + +makeBasicRealGasThermo +( + realGasHThermo, + pureMixture, + constRealGasTransport, + realGasSpecieThermo, + nasaHeatCapacityPolynomial, + aungierRedlichKwong +); + + +makeBasicRealGasThermo +( + realGasHThermo, + pureMixture, + constRealGasTransport, + realGasSpecieThermo, + nasaHeatCapacityPolynomial, + redlichKwong +); + + +makeBasicRealGasThermo +( + realGasHThermo, + pureMixture, + constRealGasTransport, + realGasSpecieThermo, + nasaHeatCapacityPolynomial, + soaveRedlichKwong +); + + +makeBasicRealGasThermo +( + realGasHThermo, + pureMixture, + sutherlandRealGasTransport, + realGasSpecieThermo, + constantHeatCapacity, + pengRobinson +); + + +makeBasicRealGasThermo +( + realGasHThermo, + pureMixture, + sutherlandRealGasTransport, + realGasSpecieThermo, + constantHeatCapacity, + aungierRedlichKwong +); + + +makeBasicRealGasThermo +( + realGasHThermo, + pureMixture, + sutherlandRealGasTransport, + realGasSpecieThermo, + constantHeatCapacity, + redlichKwong +); + + +makeBasicRealGasThermo +( + realGasHThermo, + pureMixture, + sutherlandRealGasTransport, + realGasSpecieThermo, + constantHeatCapacity, + soaveRedlichKwong +); + + +makeBasicRealGasThermo +( + realGasHThermo, + pureMixture, + constRealGasTransport, + realGasSpecieThermo, + constantHeatCapacity, + pengRobinson +); + + +makeBasicRealGasThermo +( + realGasHThermo, + pureMixture, + constRealGasTransport, + realGasSpecieThermo, + constantHeatCapacity, + aungierRedlichKwong +); + + +makeBasicRealGasThermo +( + realGasHThermo, + pureMixture, + constRealGasTransport, + realGasSpecieThermo, + constantHeatCapacity, + redlichKwong +); + + +makeBasicRealGasThermo +( + realGasHThermo, + pureMixture, + constRealGasTransport, + realGasSpecieThermo, + constantHeatCapacity, + soaveRedlichKwong +); + + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +} // End namespace Foam + +// ************************************************************************* // diff --git a/src/thermophysicalModels/externalMedia/IAPWS_Waterproperties/Allwmake b/src/thermophysicalModels/externalMedia/IAPWS_Waterproperties/Allwmake new file mode 100755 index 000000000..8f4cb8ce3 --- /dev/null +++ b/src/thermophysicalModels/externalMedia/IAPWS_Waterproperties/Allwmake @@ -0,0 +1,26 @@ +#!/bin/bash +cd ${0%/*} || exit 1 # run from this directory + + +# Installing freeSteam 2.1 +if [ ! -d "freesteam-2.1" ]; then + wget http://sourceforge.net/projects/freesteam/files/freesteam/2.1/freesteam-2.1.tar.bz2 + tar xjvf freesteam-2.1.tar.bz2 + rm freesteam-2.1.tar.bz2 +fi + +#installing required packages for freesteam +sudo apt-get install subversion scons libgsl0-dev python-dev swig ipython python-matplotlib + +#compiling freesteam +cd freesteam-2.1 +scons +cd - + +#copy dynamic library to $WM_PROJECT_DIR/lib/ +cp freesteam-2.1/libfreesteam.so $WM_PROJECT_DIR/lib/$WM_ARCH$WM_COMPILER$WM_PRECISION_OPTION$WM_COMPILE_OPTION + +#compiling classes to connect freesteam to foam +wmake libso + +# ----------------------------------------------------------------- end-of-file diff --git a/src/thermophysicalModels/externalMedia/IAPWS_Waterproperties/IAPWSThermo/IAPWS-IF97.C b/src/thermophysicalModels/externalMedia/IAPWS_Waterproperties/IAPWSThermo/IAPWS-IF97.C new file mode 100644 index 000000000..f868ec577 --- /dev/null +++ b/src/thermophysicalModels/externalMedia/IAPWS_Waterproperties/IAPWSThermo/IAPWS-IF97.C @@ -0,0 +1,602 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +------------------------------------------------------------------------------- +License + This file is part of foam-extend. + + foam-extend is free software: you can redistribute it and/or modify it + under the terms of the GNU General Public License as published by the + Free Software Foundation, either version 3 of the License, or (at your + option) any later version. + + foam-extend is distributed in the hope that it will be useful, but + WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + General Public License for more details. + + You should have received a copy of the GNU General Public License + along with foam-extend. If not, see . + + + +Author +Christian Lucas +Institut für Thermodynamik +Technische Universität Braunschweig +Germany +\*---------------------------------------------------------------------------*/ + +#include "IAPWS-IF97.H" +#include +#include + + +//CL: calculated all (minimal) needed properties for a given pressure and enthalpy +void Foam::calculateProperties_ph +( + scalar &p, + scalar &h, + scalar &T, + scalar &rho, + scalar &psi, + scalar &drhodh, + scalar &mu, + scalar &alpha +) +{ + SteamState S; + + // CL: vapor mass fraction is also calculated in calculateProperties_h + // CL: in this fuction, x is a dummy variable and x is not return to IAPWSThermo.C + scalar x; + + S=freesteam_set_ph(p,h); + calculateProperties_h(S,p,h,T,rho,psi,drhodh,mu,alpha,x); +} + + +//CL: calculated all (minimal) needed properties + the vapor mass fraction for a given pressure and enthalpy +void Foam::calculateProperties_ph +( + scalar &p, + scalar &h, + scalar &T, + scalar &rho, + scalar &psi, + scalar &drhodh, + scalar &mu, + scalar &alpha, + scalar &x +) +{ + SteamState S; + + S=freesteam_set_ph(p,h); + calculateProperties_h(S,p,h,T,rho,psi,drhodh,mu,alpha,x); +} + + +//CL: calculated all (minimal) needed properties for a given pressure and temperature +void Foam::calculateProperties_pT +( + scalar &p, + scalar &T, + scalar &h, + scalar &rho, + scalar &psi, + scalar &drhodh, + scalar &mu, + scalar &alpha +) +{ + SteamState S; + + // CL: vapor mass fraction is also calculated in calculateProperties_h + // CL: in this fuction, x is a dummy variable and x is not return to IAPWSThermo. + scalar x; + + S=freesteam_set_pT(p,T); + calculateProperties_h(S,p,h,T,rho,psi,drhodh,mu,alpha,x); +} + + +//CL: calculated all (minimal) needed properties + the vapor mass fraction for a given pressure and temperature +void Foam::calculateProperties_pT +( + scalar &p, + scalar &T, + scalar &h, + scalar &rho, + scalar &psi, + scalar &drhodh, + scalar &mu, + scalar &alpha, + scalar &x +) +{ + SteamState S; + + S=freesteam_set_pT(p,T); + calculateProperties_h(S,p,h,T,rho,psi,drhodh,mu,alpha,x); +} + + +//CL: calculated the properties --> this function is called by the functions above +//CL: does not calulated the internal energy, if this is needed e.g. for sonicFoam +//CL: the function has to be changed a little bit +void Foam::calculateProperties_h +( + SteamState S, + scalar &p, + scalar &h, + scalar &T, + scalar &rho, + scalar &psi, + scalar &drhodh, + scalar &mu, + scalar &alpha, + scalar &x +) +{ + label region; + scalar kappa,lambda,cp,beta; + + region=freesteam_region(S); + + if (region==1) + { + p=S.R1.p; + T=S.R1.T; + rho=1/freesteam_region1_v_pT(S.R1.p,S.R1.T); + h=freesteam_region1_h_pT(S.R1.p,S.R1.T); + x=0; + + //Cl: note: in FreeStream, beta=1/V*(dV/dP)_P=const is called alphaV (in this region) + //Cl: note: in FreeStream, kappa=1/V*(dV/dP)_T=const is called kappaT (in this region) + kappa=freesteam_region1_kappaT_pT(S.R1.p,S.R1.T); + beta=freesteam_region1_alphav_pT(S.R1.p,S.R1.T); + cp=freesteam_region1_cp_pT(S.R1.p,S.R1.T); + + //CL: getting derivatives using Bridgmans table + //CL: psi=(drho/dp)_h=const + //CL: drhodh=(drho/dh)_p=const + psi=-((T*beta*beta-beta)/cp-kappa*rho); + drhodh=-rho*beta/cp; + + //CL: getting transport properties + mu=freesteam_mu_rhoT(rho, T); + lambda=freesteam_k_rhoT(rho,T); + alpha=lambda/cp; //Cl: Important info -->alpha= thermal diffusivity time density + } + else if (region==2) + { + p=S.R2.p; + T=S.R2.T; + rho=1/freesteam_region2_v_pT(S.R2.p,S.R2.T); + h=freesteam_region2_h_pT(S.R2.p,S.R2.T); + x=1; + + //Cl: note: in FreeStream, beta=1/V*(dV/dP)_P=const is called alphaV (in this region) + //Cl: note: in FreeStream, kappa=1/V*(dV/dP)_T=const is called kappaT (in this region) + kappa=freesteam_region2_kappaT_pT(S.R2.p,S.R2.T); + beta=freesteam_region2_alphav_pT(S.R2.p,S.R2.T); + cp=freesteam_region2_cp_pT(S.R2.p,S.R2.T); + + //CL: getting derivatives using Bridgmans table + //CL: psi=(drho/dp)_h=const + //CL: drhodh=(drho/dh)_p=const + psi=-((T*beta*beta-beta)/cp-kappa*rho); + drhodh=-rho*beta/cp; + + //CL: getting transport properties + mu=freesteam_mu_rhoT(rho, T); + lambda=freesteam_k_rhoT(rho,T); + alpha=lambda/cp; //Cl: Important info -->alpha= thermal diffusivity time density + } + else if (region==3) + { + scalar gamma,cv; + + rho=S.R3.rho; + T=S.R3.T; + p=freesteam_region3_p_rhoT(S.R3.rho,S.R3.T); + h=freesteam_region3_h_rhoT(S.R3.rho,S.R3.T); + + //CL= when hx=0 else x=1 + if (h<2084256.263) + { + x=0; + } + else + { + x=1; + } + + //Cl: note: beta=1/V*(dV/dP)_P=const + //Cl: note: kappa=1/V*(dV/dP)_T=const + //Cl: note: in FreeStream, gamma=1/p*(dp/dT)_v=const is called alphap (in this region) + gamma=freesteam_region3_alphap_rhoT(S.R3.rho,S.R3.T); + cp=freesteam_region3_cp_rhoT(S.R3.rho,S.R3.T); + cv=freesteam_region3_cv_rhoT(S.R3.rho,S.R3.T); + beta=(cp-cv)/(S.R3.T/S.R3.rho*p*gamma); + kappa=(cp-cv)/(S.R3.T/S.R3.rho*p*p*gamma*gamma); + + //CL: getting derivatives using Bridgmans table + //CL: psi=(drho/dp)_h=const + //CL: drhodh=(drho/dh)_p=const + psi=-((T*beta*beta-beta)/cp-kappa*rho); + drhodh=-rho*beta/cp; + + + //CL: getting transport properties + mu=freesteam_mu_rhoT(rho, T); + lambda=freesteam_k_rhoT(rho,T); + alpha=lambda/cp; //Cl: Important info -->alpha= thermal diffusivity time density + + } + else if (region==4) + { + scalar rhov,rhol,betav,betal,kappav,kappal,vv,vl,cpl,cpv,hl,hv,cp; + scalar dvldp,dvvdp,dhldp,dhvdp; + scalar dpdT,dvdh,dvdp,dxdp; + + SteamState Sl,Sv; + + x=S.R4.x; + T=S.R4.T; + rho=1/freesteam_region4_v_Tx(S.R4.T,S.R4.x); + h=freesteam_region4_h_Tx(S.R4.T,S.R4.x); + p=freesteam_region4_psat_T(S.R4.T); + cp=freesteam_region4_cp_Tx(S.R4.T,S.R4.x); + + + //CL: Getting density on the vapour and liquid lines + rhov=freesteam_region4_rhog_T(S.R4.T); + rhol=freesteam_region4_rhof_T(S.R4.T); + vv=1/rhov; + vl=1/rhol; + + //CL: getting derivatives --> this is a bit tricky inside the vapor dome + + dpdT=freesteam_region4_dpsatdT_T(S.R4.T); + + // getting the states outside the vapour dome + Sl=freesteam_set_pv(p,vl-0.0000001); //inside region 1 + Sv=freesteam_set_pv(p,vv+0.0000001); //inside region 2 + + kappal=freesteam_region1_kappaT_pT(Sl.R1.p,Sl.R1.T); + kappav=freesteam_region2_kappaT_pT(Sv.R2.p,Sv.R2.T); + + betal=freesteam_region1_alphav_pT(Sl.R1.p,Sl.R1.T); + betav=freesteam_region2_alphav_pT(Sv.R2.p,Sv.R2.T); + + cpl=freesteam_region1_cp_pT(Sl.R1.p,Sl.R1.T); + cpv=freesteam_region2_cp_pT(Sv.R2.p,Sv.R2.T); + + hl=freesteam_region1_h_pT(Sl.R1.p,Sl.R1.T); + hv=freesteam_region2_h_pT(Sv.R2.p,Sv.R2.T); + + + //calculation derviatives on liquid and vapour line + dvldp=betal*vl/dpdT-kappal*vl; + dvvdp=betav*vv/dpdT-kappav*vv; + + dhldp=vl*(1-betal*Sl.R1.T)+cpl/dpdT; + dhvdp=vv*(1-betav*Sv.R2.T)+cpv/dpdT; + + dxdp=-dhldp/(hv-hl) + +(h-hl)/((hv-hl)*(hv-hl)) + *(dhvdp-dhldp); + + //CL: psi=(drho/dp)_h=const + dvdp=dvldp+(dvvdp-dvldp)*x+(vv-vl)*dxdp; + psi=-rho*rho*dvdp; + + //CL: drhodh=(drho/dh)_p=const + dvdh=(vv-vl)/(hv-hl); + drhodh=-rho*rho*dvdh; + + //CL: getting transport properties + mu=freesteam_mu_rhoT(rho, T); + lambda=freesteam_k_rhoT(rho,T); + alpha=lambda/cp; //Cl: Important info -->alpha= thermal diffusivity time density + } + else + { + std::cout<<"IAPWS-IF97 error, outside the regions 1-4"< this is a bit tricky in the vapor dome + + dpdT=freesteam_region4_dpsatdT_T(S.R4.T); + + // getting the states outside the vapour dome + Sl=freesteam_set_pv(p,vl-0.0000001); //inside region 1 + Sv=freesteam_set_pv(p,vv+0.0000001); //inside region 2 + + kappal=freesteam_region1_kappaT_pT(Sl.R1.p,Sl.R1.T); + kappav=freesteam_region2_kappaT_pT(Sv.R2.p,Sv.R2.T); + + betal=freesteam_region1_alphav_pT(Sl.R1.p,Sl.R1.T); + betav=freesteam_region2_alphav_pT(Sv.R2.p,Sv.R2.T); + + cpl=freesteam_region1_cp_pT(Sl.R1.p,Sl.R1.T); + cpv=freesteam_region2_cp_pT(Sv.R2.p,Sv.R2.T); + + hl=freesteam_region1_h_pT(Sl.R1.p,Sl.R1.T); + hv=freesteam_region2_h_pT(Sv.R2.p,Sv.R2.T); + + //calculation derviatives on liquid and vapour line + dvldp=betal*vl/dpdT-kappal*vl; + dvvdp=betav*vv/dpdT-kappav*vv; + + dhldp=vl*(1-betal*Sl.R1.T)+cpl/dpdT; + dhvdp=vv*(1-betav*Sv.R2.T)+cpv/dpdT; + + dxdp=-dhldp/(hv-hl) + +(h-hl)/((hv-hl)*(hv-hl)) + *(dhvdp-dhldp); + + //CL: psiH=(drho/dp)_h=const + dvdp=dvldp+(dvvdp-dvldp)*S.R4.x+(vv-vl)*dxdp; + psiH=-rho*rho*dvdp; + } + else + { + Info<<"IAPWS-IF97.C error, outside the regions 1-4"<. + + +Description + IAPWS-IF97 (water) based thermodynamic class. Water properties calculated by freeSteam. + + This code connects OpenFoam with freeSteam and provides the basic functions needed in OpenFOAM + + For more information about freeSteam and its authors have a look @ http://freesteam.sourceforge.net/example.php + +SourceFiles + IAPWS-IF97.C + +Author +Christian Lucas +Institut für Thermodynamik +Technische Universität Braunschweig +Germany +\*---------------------------------------------------------------------------*/ +#ifndef IAPWSIF97_H +#define IAPWSIF97_H + +#include "basicPsiThermo.H" +#include "steam.H" + +#ifdef __cplusplus + #define EXTERN extern "C" +#else + #define EXTERN extern +#endif + + +//CL: +EXTERN double freesteam_p(SteamState S); +EXTERN double freesteam_T(SteamState S); +EXTERN double freesteam_rho(SteamState S); +EXTERN double freesteam_v(SteamState S); +EXTERN double freesteam_u(SteamState S); +EXTERN double freesteam_h(SteamState S); +EXTERN double freesteam_s(SteamState S); +EXTERN double freesteam_cp(SteamState S); +EXTERN double freesteam_cv(SteamState S); +EXTERN double freesteam_w(SteamState S); +EXTERN double freesteam_x(SteamState S); +EXTERN double freesteam_mu(SteamState S); +EXTERN double freesteam_k(SteamState S); + +//CL: getting SteamState for two given properties e.g. pressure and temperatur +EXTERN SteamState freesteam_set_pv(double,double); +EXTERN SteamState freesteam_set_pu(double,double); +EXTERN SteamState freesteam_set_pT(double,double); +EXTERN SteamState freesteam_set_ph(double,double); + +//CL: getting region of the SteamState +EXTERN int freesteam_region(SteamState); + +//CL: transport properties +EXTERN double freesteam_mu_rhoT(double,double); +EXTERN double freesteam_k_rhoT(double,double); + +//CL: Region 1 --> see region1.h (freesteam) +EXTERN double freesteam_region1_v_pT(double,double); +EXTERN double freesteam_region1_h_pT(double,double); +EXTERN double freesteam_region1_kappaT_pT(double,double); +EXTERN double freesteam_region1_alphav_pT(double,double); +EXTERN double freesteam_region1_cp_pT(double,double); +EXTERN double freesteam_region1_u_pT(double,double); +EXTERN double freesteam_region1_s_pT(double,double); +EXTERN double freesteam_region1_cv_pT(double,double); + +//CL: Region 2 --> see region2.h (freesteam) +EXTERN double freesteam_region2_v_pT(double,double); +EXTERN double freesteam_region2_u_pT(double,double); +EXTERN double freesteam_region2_s_pT(double,double); +EXTERN double freesteam_region2_h_pT(double,double); +EXTERN double freesteam_region2_cp_pT(double,double); +EXTERN double freesteam_region2_cv_pT(double,double); +EXTERN double freesteam_region2_alphav_pT(double,double); +EXTERN double freesteam_region2_kappaT_pT(double,double); + +//CL: Region 3 --> see region3.h (freesteam) +EXTERN double freesteam_region3_p_rhoT(double,double); +EXTERN double freesteam_region3_u_rhoT(double,double); +EXTERN double freesteam_region3_s_rhoT(double,double); +EXTERN double freesteam_region3_h_rhoT(double,double); +EXTERN double freesteam_region3_cp_rhoT(double,double); +EXTERN double freesteam_region3_cv_rhoT(double,double); +EXTERN double freesteam_region3_alphap_rhoT(double,double); +EXTERN double freesteam_region3_betap_rhoT(double,double); + +//CL: Region 4 --> see region4.h (freesteam) +EXTERN double freesteam_region4_psat_T(double); +EXTERN double freesteam_region4_Tsat_p(double); +EXTERN double freesteam_region4_rhof_T(double); +EXTERN double freesteam_region4_rhog_T(double); +EXTERN double freesteam_region4_v_Tx(double,double); +EXTERN double freesteam_region4_u_Tx(double,double); +EXTERN double freesteam_region4_h_Tx(double,double); +EXTERN double freesteam_region4_s_Tx(double,double); +EXTERN double freesteam_region4_cp_Tx(double,double); +EXTERN double freesteam_region4_cv_Tx(double,double); +EXTERN double freesteam_region4_dpsatdT_T(double); + +namespace Foam +{ + //CL: Functions to caluculate all fluid properties + void calculateProperties_h + ( + SteamState S, + scalar &rho, + scalar &h, + scalar &T, + scalar &p, + scalar &psi, + scalar &drhodh, + scalar &mu, + scalar &alpha, + scalar &x + ); + + //CL: This functions returns all (minimal) needed propeties (p,T,h,rho,psi,drhodh,mu and alpha) for given p and T + void calculateProperties_pT + ( + scalar &p, + scalar &T, + scalar &h, + scalar &rho, + scalar &psi, + scalar &drhodh, + scalar &mu, + scalar &alpha + ); + + //CL: This function returns the same values as the function above for given p and T + //CL: Additionally, the vapor mass fraction x is return + //CL: NOTE: This function is only included to have the possibility to update x at the fixedValue (Temperature) BC + //CL: can only return x=0 and x=1 because it is not possible to describe the vapour dome with p and T + void calculateProperties_pT + ( + scalar &p, + scalar &T, + scalar &h, + scalar &rho, + scalar &psi, + scalar &drhodh, + scalar &mu, + scalar &alpha, + scalar &x + ); + + //CL: This functions returns all (minimal) needed properties (p,T,h,rho,psi,drhodh,mu and alpha) for given p and h + void calculateProperties_ph + ( + scalar &p, + scalar &h, + scalar &T, + scalar &rho, + scalar &psi, + scalar &drhodh, + scalar &mu, + scalar &alpha + ); + + //CL: This function returns the same values as the function above for given p and h + //CL: Additionally, the vapor mass fraction x is return + void calculateProperties_ph + ( + scalar &p, + scalar &h, + scalar &T, + scalar &rho, + scalar &psi, + scalar &drhodh, + scalar &mu, + scalar &alpha, + scalar &x + ); + + + //CL: Return density for given pT or ph; + scalar rho_pT(scalar p,scalar T); + scalar rho_ph(scalar p,scalar h); + + //CL: Return cp for given pT or ph; + scalar cp_pT(scalar p,scalar T); + scalar cp_ph(scalar p,scalar h); + + //CL: Return cv for given pT or ph; + scalar cv_pT(scalar p,scalar T); + scalar cv_ph(scalar p,scalar h); + + //CL: Return enthalpy for given pT; + scalar h_pT(scalar p,scalar T); + + //CL: Return temperature for given ph; + scalar T_ph(scalar p,scalar T); + + //CL: Return psiH=(drho/dp)_h=constant for given pT or ph; + scalar psiH_pT(scalar p,scalar T); + scalar psiH_ph(scalar p,scalar h); + scalar psiH(SteamState S); + + //CL: Return drhodh=(drho/dh)_p=constant for given pT or ph; + scalar drhodh_pT(scalar p,scalar T); + scalar drhodh_ph(scalar p,scalar h); + scalar drhodh(SteamState S); + +} + +#endif //IAPWSIF97_C_ diff --git a/src/thermophysicalModels/externalMedia/IAPWS_Waterproperties/IAPWSThermo/IAPWSThermo.C b/src/thermophysicalModels/externalMedia/IAPWS_Waterproperties/IAPWSThermo/IAPWSThermo.C new file mode 100755 index 000000000..3d5b2a1bc --- /dev/null +++ b/src/thermophysicalModels/externalMedia/IAPWS_Waterproperties/IAPWSThermo/IAPWSThermo.C @@ -0,0 +1,476 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +------------------------------------------------------------------------------- +License + This file is part of foam-extend. + + foam-extend is free software: you can redistribute it and/or modify it + under the terms of the GNU General Public License as published by the + Free Software Foundation, either version 3 of the License, or (at your + option) any later version. + + foam-extend is distributed in the hope that it will be useful, but + WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + General Public License for more details. + + You should have received a copy of the GNU General Public License + along with foam-extend. If not, see . + +Author +Christian Lucas +Institut für Thermodynamik +Technische Universität Braunschweig +Germany + +\*---------------------------------------------------------------------------*/ + +#include "IAPWSThermo.H" + +// * * * * * * * * * * * * * Private Member Functions * * * * * * * * * * * // + + +void Foam::IAPWSThermo::calculate() +{ + scalarField& hCells = h_.internalField(); + scalarField& pCells = this->p_.internalField(); + scalarField& TCells = this->T_.internalField(); + scalarField& rhoCells= this->rho_.internalField(); + scalarField& psiCells = this->psi_.internalField(); + scalarField& drhodhCells = this->drhodh_.internalField(); + scalarField& muCells = this->mu_.internalField(); + scalarField& alphaCells = this->alpha_.internalField(); + + //CL: Updating all cell properties + //CL: loop through all cells + forAll(TCells, celli) + { + //CL: see IAPWAS-IF97.H + calculateProperties_ph + ( + pCells[celli], + hCells[celli], + TCells[celli], + rhoCells[celli], + psiCells[celli], + drhodhCells[celli], + muCells[celli], + alphaCells[celli] + ); + } + + //CL: loop through all patches + forAll(T_.boundaryField(), patchi) + { + fvPatchScalarField& pp = this->p_.boundaryField()[patchi]; + fvPatchScalarField& pT = this->T_.boundaryField()[patchi]; + fvPatchScalarField& ppsi = this->psi_.boundaryField()[patchi]; + fvPatchScalarField& pdrhodh = this->drhodh_.boundaryField()[patchi]; + fvPatchScalarField& prho = this->rho_.boundaryField()[patchi]; + fvPatchScalarField& ph = this->h_.boundaryField()[patchi]; + fvPatchScalarField& pmu = this->mu_.boundaryField()[patchi]; + fvPatchScalarField& palpha = this->alpha_.boundaryField()[patchi]; + + //CL: Updating the patch properties for patches with fixed temperature BC's + if (pT.fixesValue()) + { + forAll(pT, facei) + { + //CL: see IAPWAS-IF97.H + calculateProperties_pT + ( + pp[facei], + pT[facei], + ph[facei], + prho[facei], + ppsi[facei], + pdrhodh[facei], + pmu[facei], + palpha[facei] + ); + } + } + //CL: Updating the patch properties for patches without fixed temperature BC's + else + { + forAll(pT, facei) + { + //CL: see IAPWAS-IF97.H + calculateProperties_ph + ( + pp[facei], + ph[facei], + pT[facei], + prho[facei], + ppsi[facei], + pdrhodh[facei], + pmu[facei], + palpha[facei] + ); + } + } + } +} + +// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * // + + +Foam::IAPWSThermo::IAPWSThermo +( + const fvMesh& mesh, + const objectRegistry& obj +) +: + basicPsiThermo(mesh, obj), + + h_ + ( + IOobject + ( + "h", + mesh.time().timeName(), + mesh, + IOobject::NO_READ, + IOobject::NO_WRITE + ), + mesh, + dimensionSet(0, 2, -2, 0, 0), + this->hBoundaryTypes() + ), + + rho_ + ( + IOobject + ( + "rhoThermo", + mesh.time().timeName(), + mesh, + IOobject::READ_IF_PRESENT, + IOobject::NO_WRITE + ), + mesh, + dimDensity + ), + + drhodh_ + ( + IOobject + ( + "drhodh", + mesh.time().timeName(), + mesh, + IOobject::NO_READ, + IOobject::NO_WRITE + ), + mesh, + dimensionSet(1, -5, 2, 0, 0) + ) +{ + + scalarField& hCells = h_.internalField(); + scalarField& TCells = this->T_.internalField(); + scalarField& pCells =this->p_.internalField(); + scalarField& rhoCells =this->rho_.internalField(); + + forAll(hCells, celli) + { + hCells[celli] = h_pT(pCells[celli],TCells[celli]); + } + + forAll(h_.boundaryField(), patchi) + { + h_.boundaryField()[patchi] == + h(this->T_.boundaryField()[patchi], patchi); + } + + forAll(rhoCells, celli) + { + rhoCells[celli] = rho_pT(pCells[celli],TCells[celli]); + } + + forAll(rho_.boundaryField(), patchi) + { + rho_.boundaryField()[patchi] == + rho(this->p_.boundaryField()[patchi] ,this->h_.boundaryField()[patchi], patchi); + } + + hBoundaryCorrection(h_); + + calculate(); + + // Switch on saving old time + this->psi_.oldTime(); +} + + +// * * * * * * * * * * * * * * * * Destructor * * * * * * * * * * * * * * * // + +Foam::IAPWSThermo::~IAPWSThermo() +{} + + +// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * // + +void Foam::IAPWSThermo::correct() +{ + if (debug) + { + Info<< "entering IAPWSThermo::correct()" << endl; + } + + // force the saving of the old-time values + this->psi_.oldTime(); + + calculate(); + + if (debug) + { + Info<< "exiting IAPWSThermo::correct()" << endl; + } +} + + +Foam::tmp Foam::IAPWSThermo::h +( + const scalarField& T, + const labelList& cells +) const +{ + //getting pressure field + const scalarField& pCells = this->p_.internalField(); + + tmp th(new scalarField(T.size())); + scalarField& h = th(); + + forAll(T, celli) + { + h[celli] = h_pT(pCells[cells[celli]],T[celli]); + } + + return th; +} + + +Foam::tmp Foam::IAPWSThermo::h +( + const scalarField& T, + const label patchi +) const +{ + // getting pressure at the patch + const fvPatchScalarField& pp = this->p_.boundaryField()[patchi]; + + tmp th(new scalarField(T.size())); + scalarField& h = th(); + + forAll(T, facei) + { + h[facei] = h_pT(pp[facei], T[facei]); + } + + return th; +} + + +//CL: Calculates rho at patch +Foam::tmp Foam::IAPWSThermo::rho +( + const scalarField& p, + const scalarField& h, + const label patchi +) const +{ + tmp trho(new scalarField(h.size())); + scalarField& rho = trho(); + + forAll(h, facei) + { + rho[facei] = rho_ph(p[facei], h[facei]); + } + + return trho; +} + + +Foam::tmp Foam::IAPWSThermo::Cp +( + const scalarField& T, + const label patchi +) const +{ + // getting pressure at the patch + const fvPatchScalarField& pp = this->p_.boundaryField()[patchi]; + + tmp tCp(new scalarField(T.size())); + scalarField& cp = tCp(); + + forAll(T, facei) + { + cp[facei] = cp_ph(pp[facei],h_pT(pp[facei], T[facei])); + } + + return tCp; +} + + +Foam::tmp Foam::IAPWSThermo::Cp() const +{ + const fvMesh& mesh = this->T_.mesh(); + + tmp tCp + ( + new volScalarField + ( + IOobject + ( + "Cp", + mesh.time().timeName(), + mesh, + IOobject::NO_READ, + IOobject::NO_WRITE + ), + mesh, + dimensionSet(0, 2, -2, -1, 0), + this->T_.boundaryField().types() + ) + ); + + volScalarField& cp = tCp(); + + forAll(this->T_, celli) + { + cp[celli] = cp_ph(this->p_[celli], this->h_[celli]); + } + + forAll(this->T_.boundaryField(), patchi) + { + const fvPatchScalarField& pp = this->p_.boundaryField()[patchi]; + const fvPatchScalarField& ph = this->h_.boundaryField()[patchi]; + fvPatchScalarField& pCp = cp.boundaryField()[patchi]; + + forAll(ph, facei) + { + pCp[facei] = cp_ph(pp[facei], ph[facei]); + } + } + + return tCp; +} + + +//CL: Returns an updated field for rho +Foam::tmp Foam::IAPWSThermo::rho() const +{ + const fvMesh& mesh = this->p_.mesh(); + + tmp prho + ( + new volScalarField + ( + IOobject + ( + "rhoThermo2", + mesh.time().timeName(), + mesh, + IOobject::NO_READ, + IOobject::NO_WRITE + ), + mesh, + dimDensity + ) + ); + + volScalarField& rho = prho(); + + forAll(this->p_, celli) + { + rho[celli] = rho_ph(this->p_[celli], this->h_[celli]); + } + + forAll(this->T_.boundaryField(), patchi) + { + const fvPatchScalarField& pp = this->p_.boundaryField()[patchi]; + const fvPatchScalarField& ph = this->h_.boundaryField()[patchi]; + fvPatchScalarField& prho = rho.boundaryField()[patchi]; + + forAll(ph, facei) + { + prho[facei] = rho_ph(pp[facei], ph[facei]); + } + } + + return prho; +} + + +Foam::tmp Foam::IAPWSThermo::Cv +( + const scalarField& T, + const label patchi +) const +{ + // getting pressure at the patch + const fvPatchScalarField& pp = this->p_.boundaryField()[patchi]; + + tmp tCv(new scalarField(T.size())); + scalarField& cv = tCv(); + + forAll(T, facei) + { + cv[facei] = cv_ph(pp[facei], h_pT(pp[facei], T[facei])); + } + + return tCv; +} + + +Foam::tmp Foam::IAPWSThermo::Cv() const +{ + const fvMesh& mesh = this->T_.mesh(); + + tmp tCv + ( + new volScalarField + ( + IOobject + ( + "Cv", + mesh.time().timeName(), + mesh, + IOobject::NO_READ, + IOobject::NO_WRITE + ), + mesh, + dimensionSet(0, 2, -2, -1, 0) + ) + ); + + volScalarField& cv = tCv(); + + forAll(this->h_, celli) + { + cv[celli] = cv_ph(this->p_[celli], this->h_[celli]); + } + + forAll(this->T_.boundaryField(), patchi) + { + cv.boundaryField()[patchi] = + Cv(this->T_.boundaryField()[patchi], patchi); + } + + return tCv; +} + + +bool Foam::IAPWSThermo::read() +{ + basicPsiThermo::read(); + return true; +} + + +// ************************************************************************* // diff --git a/src/thermophysicalModels/externalMedia/IAPWS_Waterproperties/IAPWSThermo/IAPWSThermo.H b/src/thermophysicalModels/externalMedia/IAPWS_Waterproperties/IAPWSThermo/IAPWSThermo.H new file mode 100755 index 000000000..5f7b69bc1 --- /dev/null +++ b/src/thermophysicalModels/externalMedia/IAPWS_Waterproperties/IAPWSThermo/IAPWSThermo.H @@ -0,0 +1,198 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +------------------------------------------------------------------------------- +License + This file is part of foam-extend. + + foam-extend is free software: you can redistribute it and/or modify it + under the terms of the GNU General Public License as published by the + Free Software Foundation, either version 3 of the License, or (at your + option) any later version. + + foam-extend is distributed in the hope that it will be useful, but + WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + General Public License for more details. + + You should have received a copy of the GNU General Public License + along with foam-extend. If not, see . + + +Class + Foam::IAPWSThermo + +Description: + + Waterproperties based on the IAPWS 97 tables + The water properties are caluclated using freeSteam (http://freesteam.sourceforge.net/example.php) + + General paper decribing the water tables: + + "Revised Release on the IAPWS Industrial Formulation 1997 for the Thermodynamic Properties of Water and Steam" + +SourceFiles + IAPWSThermo.C + +Author +Christian Lucas +Institut für Thermodynamik +Technische Universität Braunschweig +Germany + + +\*---------------------------------------------------------------------------*/ + +#ifndef IAPWSThermo_H +#define IAPWSThermo_H + +#include "basicPsiThermo.H" +#include "IAPWS-IF97.H" + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +namespace Foam +{ +/*---------------------------------------------------------------------------*\ + Class IAPWSTHERMO Declaration +\*---------------------------------------------------------------------------*/ + +class IAPWSThermo +: + public basicPsiThermo +{ + + // Private data + + //- Enthalpy field + volScalarField h_; + + //- DensityField + volScalarField rho_; + + // CL:drhodh Field + // CL:needed for pressure equation + volScalarField drhodh_; + + + // Private member functions + + //- Calculate the thermo variables + void calculate(); + +public: + + //- Runtime type information + TypeName("IAPWSThermo"); + + // Constructors + + //- Construct from mesh + IAPWSThermo(const fvMesh&, const objectRegistry& obj); + + //- Destructor + virtual ~IAPWSThermo(); + + // Member functions + + + + //- Update properties + virtual void correct(); + + + // Access to thermodynamic state variables + + //- Enthalpy [J/kg] + // Non-const access allowed for transport equations + virtual volScalarField& h() + { + return h_; + } + + //- Enthalpy [J/kg] + virtual const volScalarField& h() const + { + return h_; + } + + // Fields derived from thermodynamic state variables + + //- Enthalpy for cell-set [J/kg] + virtual tmp h + ( + const scalarField& T, + const labelList& cells + ) const; + + + //- Enthalpy for patch [J/kg] + virtual tmp h + ( + const scalarField& T, + const label patchi + ) const; + + + //- Density for patch [J/kg] + virtual tmp rho + ( + const scalarField& p, + const scalarField& h, + const label patchi + ) const; + + //- Heat capacity at constant pressure for patch [J/kg/K] + // dummy function needed for BC + virtual tmp Cp + ( + const scalarField& T, + const label patchi + ) const; + + //- Heat capacity at constant pressure [J/kg/K] + virtual tmp Cp() const; + + //- Heat capacity at constant volume for patch [J/kg/K] + virtual tmp Cv + ( + const scalarField& T, + const label patchi + ) const; + + //- Heat capacity at constant volume [J/kg/K] + virtual tmp Cv() const; + + //- Gradient drhodh @ constant pressure + virtual const volScalarField& drhodh() const + { + return drhodh_; + } + + //- Density [kg/m^3] - uses current value of pressure + virtual tmp rho() const; + + + //- Read thermophysicalProperties dictionary + virtual bool read(); +}; + + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +} // End namespace Foam + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +#ifdef NoRepository +# include "IAPWSThermo.C" +#endif + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +#endif + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // diff --git a/src/thermophysicalModels/externalMedia/IAPWS_Waterproperties/IAPWSThermo/IAPWSThermos.C b/src/thermophysicalModels/externalMedia/IAPWS_Waterproperties/IAPWSThermo/IAPWSThermos.C new file mode 100755 index 000000000..b217e218c --- /dev/null +++ b/src/thermophysicalModels/externalMedia/IAPWS_Waterproperties/IAPWSThermo/IAPWSThermos.C @@ -0,0 +1,74 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +------------------------------------------------------------------------------- +License + This file is part of foam-extend. + + foam-extend is free software: you can redistribute it and/or modify it + under the terms of the GNU General Public License as published by the + Free Software Foundation, either version 3 of the License, or (at your + option) any later version. + + foam-extend is distributed in the hope that it will be useful, but + WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + General Public License for more details. + + You should have received a copy of the GNU General Public License + along with foam-extend. If not, see . + +Author +Christian Lucas +Institut für Thermodynamik +Technische Universität Braunschweig +Germany + +\*---------------------------------------------------------------------------*/ + +#include "makeBasicPsiThermo.H" +#include "IAPWSThermo.H" + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +namespace Foam +{ + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +#define makeBasicExternalLibraryBasedThermo(Cthermo) \ + \ +typedef Cthermo \ + Cthermo; \ + \ +defineTemplateTypeNameAndDebugWithName \ +( \ + Cthermo, \ + #Cthermo, \ + 0 \ +); \ + \ +addToRunTimeSelectionTable \ +( \ + basicPsiThermo, \ + Cthermo, \ + fvMesh \ +) + + +/* * * * * * * * * * * * * * * private static data * * * * * * * * * * * * * */ + +makeBasicExternalLibraryBasedThermo +( + IAPWSThermo +); + + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +} // End namespace Foam + +// ************************************************************************* // diff --git a/src/thermophysicalModels/externalMedia/IAPWS_Waterproperties/IAPWSThermo/steam.H b/src/thermophysicalModels/externalMedia/IAPWS_Waterproperties/IAPWSThermo/steam.H new file mode 100644 index 000000000..e0d804898 --- /dev/null +++ b/src/thermophysicalModels/externalMedia/IAPWS_Waterproperties/IAPWSThermo/steam.H @@ -0,0 +1,56 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +------------------------------------------------------------------------------- +License + This file is part of foam-extend. + + foam-extend is free software: you can redistribute it and/or modify it + under the terms of the GNU General Public License as published by the + Free Software Foundation, either version 3 of the License, or (at your + option) any later version. + + foam-extend is distributed in the hope that it will be useful, but + WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + General Public License for more details. + + You should have received a copy of the GNU General Public License + along with foam-extend. If not, see . + +Description + +Includes the definition of a struct from freestream +Code copied from freestream --> steam.h + +\*---------------------------------------------------------------------------*/ + + +typedef struct SteamState_R1_struct{ + double p, T; +} SteamState_R1; + +typedef struct SteamState_R2_struct{ + double p, T; +} SteamState_R2; + +typedef struct SteamState_R3_struct{ + double rho, T; +} SteamState_R3; + +typedef struct SteamState_R4_struct{ + double T, x; +} SteamState_R4; + +typedef struct SteamState_struct{ + char region; + union{ + SteamState_R1 R1; + SteamState_R2 R2; + SteamState_R3 R3; + SteamState_R4 R4; + }; +} SteamState; diff --git a/src/thermophysicalModels/externalMedia/IAPWS_Waterproperties/Make/files b/src/thermophysicalModels/externalMedia/IAPWS_Waterproperties/Make/files new file mode 100644 index 000000000..2de700ff5 --- /dev/null +++ b/src/thermophysicalModels/externalMedia/IAPWS_Waterproperties/Make/files @@ -0,0 +1,4 @@ +IAPWSThermo/IAPWS-IF97.C +IAPWSThermo/IAPWSThermos.C + +LIB = $(FOAM_LIBBIN)/libIAPWSThermo diff --git a/src/thermophysicalModels/externalMedia/IAPWS_Waterproperties/Make/options b/src/thermophysicalModels/externalMedia/IAPWS_Waterproperties/Make/options new file mode 100644 index 000000000..267982f35 --- /dev/null +++ b/src/thermophysicalModels/externalMedia/IAPWS_Waterproperties/Make/options @@ -0,0 +1,8 @@ +EXE_INC = \ + -I$(LIB_SRC)/finiteVolume/lnInclude \ + -I$(LIB_SRC)/thermophysicalModels/specie/lnInclude \ + -I$(LIB_SRC)/thermophysicalModels/basic/lnInclude + +LIB_LIBS = \ + -lfiniteVolume\ + -lbasicThermophysicalModels diff --git a/src/thermophysicalModels/specie/Make/files b/src/thermophysicalModels/specie/Make/files index 428f6d8fc..3aa166ed1 100644 --- a/src/thermophysicalModels/specie/Make/files +++ b/src/thermophysicalModels/specie/Make/files @@ -8,6 +8,10 @@ $(atomicWeights)/atomicWeights.C $(specie)/specie.C $(speciesTable)/speciesTable.C $(equationOfState)/perfectGas/perfectGas.C +$(equationOfState)/cubicEquationOfState/redlichKwong/redlichKwong.C +$(equationOfState)/cubicEquationOfState/aungierRedlichKwong/aungierRedlichKwong.C +$(equationOfState)/cubicEquationOfState/pengRobinson/pengRobinson.C +$(equationOfState)/cubicEquationOfState/soaveRedlichKwong/soaveRedlichKwong.C $(reactions)/makeChemkinReactions.C $(reactions)/makeReactionThermoReactions.C $(reactions)/makeLangmuirHinshelwoodReactions.C diff --git a/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/aungierRedlichKwong/aungierRedlichKwong.C b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/aungierRedlichKwong/aungierRedlichKwong.C new file mode 100755 index 000000000..c45ed0d58 --- /dev/null +++ b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/aungierRedlichKwong/aungierRedlichKwong.C @@ -0,0 +1,85 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +------------------------------------------------------------------------------- +License + This file is part of foam-extend. + + foam-extend is free software: you can redistribute it and/or modify it + under the terms of the GNU General Public License as published by the + Free Software Foundation, either version 3 of the License, or (at your + option) any later version. + + foam-extend is distributed in the hope that it will be useful, but + WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + General Public License for more details. + + You should have received a copy of the GNU General Public License + along with foam-extend. If not, see . + + +Description + Aungier Redlich Kwong equation of state. + +Author +Christian Lucas +Institut für Thermodynamik +Technische Universität Braunschweig +Germany + +\*---------------------------------------------------------------------------*/ + +#include "aungierRedlichKwong.H" +#include "IOstreams.H" + +// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * // + +Foam::aungierRedlichKwong::aungierRedlichKwong(Istream& is) +: + specie(is), + pcrit_(readScalar(is)), + Tcrit_(readScalar(is)), + azentricFactor_(readScalar(is)), + rhocrit_(readScalar(is)), + a0_(0.42747*pow(this->RR,2)*pow(Tcrit_,2)/pcrit_), + b_(0.08664*this->RR*Tcrit_/pcrit_), + c_(this->RR*Tcrit_/(pcrit_+(a0_/(this->W()/rhocrit_*(this->W()/rhocrit_+b_))))+b_-this->W()/rhocrit_), + n_(0.4986+1.2735*azentricFactor_+0.4754*pow(azentricFactor_,2)), + b2_(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()))), + //CL: Only uses the default values + rhoMax_(1500), + rhoMin_(1e-3), + aSave(0.0), + daSave(0.0), + d2aSave(0.0), + TSave(0.0) +{ + is.check("aungierRedlichKwong::aungierRedlichKwong(Istream& is)"); +} + + +// * * * * * * * * * * * * * * * Ostream Operator * * * * * * * * * * * * * // + +Foam::Ostream& Foam::operator<<(Ostream& os, const aungierRedlichKwong& ark) +{ + os << static_cast(ark)<< token::SPACE + << ark.pcrit_ << tab<< ark.Tcrit_<< tab<. + +Class + Foam::aungierRedlichKwong + +Description + Aungier Redlich Kwong equation of state. + + Paper: + Title: A Fast, Accurate Real Gas Equation of State for Fluid Dynamic Analysis Applications + Authors: R. H. Aungier + Journal: Journal of Fluids Engineering, Vol.117, 1995 + +SourceFiles + aungierRedlichKwongI.H + aungierRedlichKwong.C + +Author +Christian Lucas +Institut für Thermodynamik +Technische Universität Braunschweig +Germany + +\*---------------------------------------------------------------------------*/ + +#ifndef aungierRedlichKwong_H +#define aungierRedlichKwong_H + +#include "specie.H" +#include "autoPtr.H" +#include "DynamicList.H" + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +namespace Foam +{ + +/*---------------------------------------------------------------------------*\ + Class aungierRedlichKwong Declaration +\*---------------------------------------------------------------------------*/ + +class aungierRedlichKwong +: + public specie + +{ + mutable scalar pcrit_; + mutable scalar Tcrit_; + mutable scalar azentricFactor_; + mutable scalar rhocrit_; + + //Aungier Redlich Kwong factors + mutable scalar a0_; + mutable scalar b_; + mutable scalar c_; + mutable scalar n_; + + //CL: pow of constants (b_, c_) used in the code e.g. b2_=b*b; + mutable scalar b2_; + mutable scalar b3_; + mutable scalar b4_; + mutable scalar b5_; + mutable scalar c2_; + + //Density @STD, initialise after a, b! + mutable scalar rhostd_; + + //CL: rhoMin and rhoMax are only used as boundaries for the bisection methode (see rho function) + mutable scalar rhoMax_; + mutable scalar rhoMin_; + +protected: + //CL: Variables to save the values of a, dadT and d2adT2 of the mixture + //CL: Variables must corrected for changing temperatures + mutable scalar aSave; + mutable scalar daSave; + mutable scalar d2aSave; + + //CL: save the temperature for which the save coefficients (amix,dadTmix,d2adT2mix) are correct + mutable scalar TSave; + + //Protected functions + //CL: function updates the coefficients (aSave, daSave, d2aSave) + inline void updateModelCoefficients(const scalar T) const; + + +public: + + // Constructors + + //- Construct from components + inline aungierRedlichKwong + ( + const specie& sp + ); + + //- Construct from Istream + aungierRedlichKwong(Istream&); + + //- Construct as named copy + inline aungierRedlichKwong(const word& name, const aungierRedlichKwong&); + + //- Construct and return a clone + inline autoPtr clone() const; + + // Selector from Istream + inline static autoPtr New(Istream& is); + + // Member functions + + inline scalar& rhostd(); + + inline scalar& rhostd() const; + + inline scalar& rhoMin(); + + inline scalar& rhoMin() const; + + inline scalar& rhoMax(); + + inline scalar& rhoMax() const; + + inline scalar& Tcrit(); + + inline scalar& Tcrit() const; + + inline scalar& pcrit(); + + inline scalar& pcrit() const; + + inline scalar& rhocrit(); + + inline scalar& rhocrit() const; + + inline scalar& azentricFactor(); + + inline scalar& azentricFactor() const; + + //CL: Model coefficient a(T) + inline scalar a(const scalar T)const; + + //CL: temperature deriviative of model coefficient a(T) + inline scalar dadT(const scalar T)const; + + //CL: second order temperature deriviative of model coefficient a(T) + inline scalar d2adT2(const scalar T)const; + + //Return Aungier Redlich Kwong factors + inline scalar& a0()const; + + inline scalar& a0(); + + inline scalar& b()const; + + inline scalar& b(); + + inline scalar& c()const; + + inline scalar& c(); + + inline scalar& n()const; + + inline scalar& n(); + + //CL: return power of constants (b_, c_) + inline scalar& b2()const; + + inline scalar& b2(); + + inline scalar& b3()const; + + inline scalar& b3(); + + inline scalar& b4()const; + + inline scalar& b4(); + + inline scalar& b5()const; + + inline scalar& b5(); + + inline scalar& c2()const; + + inline scalar& c2(); + + //CL: Equation of state + inline scalar p(const scalar rho, const scalar T) const; + + //CL: first order derivatives + inline scalar dpdv(const scalar rho, const scalar T) const; + + inline scalar dpdT(const scalar rho, const scalar T) const; + + inline scalar dvdT(const scalar rho, const scalar T) const; + + inline scalar dvdp(const scalar rho, const scalar T) const; + + inline scalar isobarExpCoef(const scalar rho, const scalar T) const; + + inline scalar isothermalCompressiblity + ( + const scalar rho, + const scalar T + ) const; + + //CL: Used for cv + inline scalar integral_d2pdT2_dv + ( + const scalar rho, + const scalar T + ) const ; + + //CL: second order derivatives, not Used At The Moment + inline scalar d2pdv2(const scalar rho, const scalar T) const; + + inline scalar d2pdT2(const scalar rho, scalar T) const; + + inline scalar d2pdvdT(const scalar rho, const scalar T) const; + + inline scalar d2vdT2(const scalar rho, const scalar T) const; + + //CL: Used for internal Energy + inline scalar integral_p_dv(const scalar rho, const scalar T) const; + + //CL: Used for Entropy + inline scalar integral_dpdT_dv(const scalar rho, const scalar T) const; + + //- Return density [kg/m^3] + // rho0 is the starting point of the newton solver used to calculate rho + inline scalar rho + ( + const scalar p, + const scalar T, + const scalar rho0 + ) const; + + inline scalar rho(const scalar p, const scalar T) const; + + //- Return compressibility drho/dp at T=constant [s^2/m^2] + inline scalar psi(const scalar rho, const scalar T) const; + + //- Return compression factor [] + inline scalar Z + ( + const scalar p, + const scalar T, + const scalar rho0 + ) const; + + // Member operators + + inline void operator+=(const aungierRedlichKwong&); + inline void operator*=(const scalar s); + + // Friend operators + + inline friend aungierRedlichKwong operator+ + ( + const aungierRedlichKwong&, + const aungierRedlichKwong& + ); + + inline friend aungierRedlichKwong operator* + ( + const scalar s, + const aungierRedlichKwong& + ); + + // Ostream Operator + + friend Ostream& operator<<(Ostream&, const aungierRedlichKwong&); +}; + + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +} // End namespace Foam + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +#include "aungierRedlichKwongI.H" + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +#endif + +// ************************************************************************* // diff --git a/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/aungierRedlichKwong/aungierRedlichKwongI.H b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/aungierRedlichKwong/aungierRedlichKwongI.H new file mode 100755 index 000000000..0f2b6e860 --- /dev/null +++ b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/aungierRedlichKwong/aungierRedlichKwongI.H @@ -0,0 +1,674 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +------------------------------------------------------------------------------- +License + This file is part of foam-extend. + + foam-extend is free software: you can redistribute it and/or modify it + under the terms of the GNU General Public License as published by the + Free Software Foundation, either version 3 of the License, or (at your + option) any later version. + + foam-extend is distributed in the hope that it will be useful, but + WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + General Public License for more details. + + You should have received a copy of the GNU General Public License + along with foam-extend. If not, see . + +Author +Christian Lucas +Institut für Thermodynamik +Technische Universität Braunschweig +Germany + +\*---------------------------------------------------------------------------*/ + +#include "aungierRedlichKwong.H" + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +namespace Foam +{ + +// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * // + +// Construct from components +inline aungierRedlichKwong::aungierRedlichKwong +( + const specie& sp +) +: + specie(sp) +{} + + +// Construct as named copy +inline aungierRedlichKwong::aungierRedlichKwong(const word& name, const aungierRedlichKwong& pg) +: + specie(name, pg), + pcrit_(pg.pcrit_), + Tcrit_(pg.Tcrit_), + azentricFactor_(pg.azentricFactor_), + rhocrit_(pg.rhocrit_), + a0_(pg.a0_), + b_(pg.b_), + c_(pg.c_), + n_(pg.n_), + b2_(pg.b2_), + b3_(pg.b3_), + b4_(pg.b4_), + b5_(pg.b5_), + c2_(pg.c2_), + rhostd_(pg.rhostd_), + rhoMax_(pg.rhoMin_), + rhoMin_(pg.rhoMin_), + aSave(0.0), + daSave(0.0), + d2aSave(0.0), + TSave(0.0) +{} + + +// Construct and return a clone +inline autoPtr aungierRedlichKwong::clone() const +{ + return autoPtr(new aungierRedlichKwong(*this)); +} + + +// Selector from Istream +inline autoPtr aungierRedlichKwong::New(Istream& is) +{ + return autoPtr(new aungierRedlichKwong(is)); +} + + +// * * * * * * * * * * * * * Member Functions * * * * * * * * * * * // + +inline scalar& aungierRedlichKwong::rhostd() +{ + return rhostd_; +} + + +inline scalar& aungierRedlichKwong::rhostd()const +{ + return rhostd_; +} + + +inline scalar& aungierRedlichKwong::rhoMin() +{ + return rhoMin_; +} + + +inline scalar& aungierRedlichKwong::rhoMin()const +{ + return rhoMin_; +} + + +inline scalar& aungierRedlichKwong::rhoMax() +{ + return rhoMax_; +} + + +inline scalar& aungierRedlichKwong::rhoMax()const +{ + return rhoMax_; +} + + +inline scalar& aungierRedlichKwong::Tcrit() +{ + return Tcrit_; +} + + +inline scalar& aungierRedlichKwong::Tcrit()const +{ + return Tcrit_; +} + + +inline scalar& aungierRedlichKwong::pcrit() +{ + return pcrit_; +} + + +inline scalar& aungierRedlichKwong::pcrit()const +{ + return pcrit_; +} + + +inline scalar& aungierRedlichKwong::rhocrit() +{ + return rhocrit_; +} + + +inline scalar& aungierRedlichKwong::rhocrit()const +{ + return rhocrit_; +} + + +inline scalar& aungierRedlichKwong::azentricFactor() +{ + return azentricFactor_; +} + + +inline scalar& aungierRedlichKwong::azentricFactor()const +{ + return azentricFactor_; +} + + +inline void aungierRedlichKwong::updateModelCoefficients(const scalar T)const +{ + aSave=a0_*pow(T/Tcrit_,-n()); + daSave=-a0_*n()*pow(T/Tcrit_,-n())/T; + d2aSave=a0_*(n() *n()+n())/(T*T)*pow(T/Tcrit_,-n()); + + //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::a0() +{ + return a0_; +} + + +inline scalar& aungierRedlichKwong::b()const +{ + return b_; +} + + +inline scalar& aungierRedlichKwong::b() +{ + return b_; +} + + +inline scalar& aungierRedlichKwong::c()const +{ + return c_; +} + + +inline scalar& aungierRedlichKwong::c() +{ + return c_; +} + + +inline scalar& aungierRedlichKwong::n()const +{ + return n_; +} + + +inline scalar& aungierRedlichKwong::n() +{ + 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::b2() +{ + return b2_; +} + + +//CL: pow of constants (b(), c()) used in the code e.g. b3_=b2*b; +inline scalar& aungierRedlichKwong::b3()const +{ + return b3_; +} + + +inline scalar& aungierRedlichKwong::b3() +{ + return b3_; +} + + +//CL: pow of constants (b(), c()) used in the code e.g. b4_=b3*b; +inline scalar& aungierRedlichKwong::b4()const +{ + return b4_; +} + + +inline scalar& aungierRedlichKwong::b4() +{ + return b4_; +} + + +//CL: pow of constants (b(), c()) used in the code e.g. b5_=b4*b; +inline scalar& aungierRedlichKwong::b5()const +{ + return b5_; +} + + +inline scalar& aungierRedlichKwong::b5() +{ + return b5_; +} + + +//CL: pow of constants (b(), c()) used in the code e.g. b2_=b*b; +inline scalar& aungierRedlichKwong::c2()const +{ + return c2_; +} + + +inline scalar& aungierRedlichKwong::c2() +{ + 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(T)/(Vm*(Vm+b())); +} + + +//Real deviative dp/dv at constant temperature +//(molar values) +inline scalar aungierRedlichKwong::dpdv(const scalar rho, const scalar T) const +{ + 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)); +} + + +//Real deviative dp/dT at constant molar volume +//(molar values) +inline scalar aungierRedlichKwong::dpdT(const scalar rho, const scalar T) const +{ + scalar Vm = this->W()/rho; + + return this->RR/(Vm-b()+c())-dadT(T)/(Vm*(Vm+b())); +} + + +//Real deviative dv/dT at constant pressure +//using implicit differentiation +//(molar values) +inline scalar aungierRedlichKwong::dvdT(const scalar rho,const scalar T) const +{ + return (-1)*this->dpdT(rho,T)/this->dpdv(rho,T); +} + + +//Real deviative dv/dp at constant temperature +//(molar values) +inline scalar aungierRedlichKwong::dvdp(const scalar rho,const scalar T) const +{ + return 1/this->dpdv(rho,T); +} + + +//needed to calculate the internal energy +//(molar values) +inline scalar aungierRedlichKwong::integral_p_dv +( + const scalar rho, + const scalar T +) const +{ + scalar Vm = this->W()/rho; + + return this->RR*T*log(-b()+c()+Vm)+a(T)*log(b()+Vm)/b()-a(T)*log(Vm)/b(); +} + + +//needed to calculate the entropy +//(molar values) +inline scalar aungierRedlichKwong::integral_dpdT_dv +( + const scalar rho, + const scalar T +) const +{ + scalar Vm = this->W()/rho; + + return this->RR*log(-b()+c()+Vm)+dadT(T)*log(b()+Vm)/b()-dadT(T)*log(Vm)/b(); +} + + +//(molar values) +inline scalar aungierRedlichKwong::d2pdT2(const scalar rho,const scalar T) const +{ + scalar Vm = this->W()/rho; + + return -d2adT2(T)/(Vm*(Vm+b())); +} + + +//(molar values) +inline scalar aungierRedlichKwong::d2pdv2(const scalar rho,const scalar T) const +{ + scalar Vm = this->W()/rho; + scalar Vm2 = Vm*Vm; + scalar Vm3 = Vm*Vm*Vm; + + return -2*(a(T)*(b5()-3*b4()*c()+3*b3()*(c2()-c()*Vm-Vm2) + -b2()*(c()+Vm)*(c2()-7*c()*Vm+Vm2)+3*b()*Vm*pow(c()+Vm,2)*(2*Vm-c()) + -3*Vm2*pow(c()+Vm,3))+this->RR*T*Vm3*(b3()+3*b2()*Vm + +3*b()*Vm2+Vm3)) + /(Vm3*pow(b()-c()-Vm,3)*pow(b()+Vm,3)); +} + + +//(molar values) +//using second order implicit differentiation +inline scalar aungierRedlichKwong::d2vdT2(const scalar rho, const scalar T) const +{ + scalar dpdT2=this->dpdT(rho,T)*this->dpdT(rho,T); + scalar dpdv2=this->dpdv(rho,T)*this->dpdv(rho,T); + scalar dpdv3=dpdv2*this->dpdv(rho,T); + + return + -( + dpdT2*this->d2pdv2(rho,T) + + dpdv2*this->d2pdT2(rho,T) + - 2*this->dpdv(rho,T)*this->dpdT(rho,T)*this->d2pdvdT(rho,T) + ) + /(dpdv3); +} + + +//(molar values) +inline scalar aungierRedlichKwong::d2pdvdT(const scalar rho, const scalar T) const +{ + scalar Vm = this->W()/rho; + scalar Vm2 = Vm*Vm; + + return (dadT(T)*(b3()-2*b2()*c()+b()*(c()+Vm)*(c()-3*Vm)+2*Vm*pow(c()+Vm,2)) + -this->RR*Vm2*(b2()+2*b()*Vm+Vm2)) + /(Vm2*pow(b()-c()-Vm,2)*pow(b()+Vm,2)); +} + + +// the result of this intergal is needed for the nasa based cp polynomial +//(molar values) +inline scalar aungierRedlichKwong::integral_d2pdT2_dv +( + const scalar rho, + const scalar T +) const +{ + scalar Vm = this->W()/rho; + + return d2adT2(T)*log(b()+Vm)/b()-d2adT2(T)*log(Vm)/b(); +} + + +//Isobar expansion Coefficent beta = 1/v (dv/dt) at constant p +//(molar values) +inline scalar aungierRedlichKwong::isobarExpCoef(const scalar rho,const scalar T) const +{ + return this->dvdT(rho, T)*rho/this->W(); +} + + +//isothemal compressiblity kappa (not Thermal conductivity) +//(molar values) +inline scalar aungierRedlichKwong::isothermalCompressiblity(const scalar rho,const scalar T) const +{ + return this->isobarExpCoef(rho, T)/this->dpdT(rho, T); + //also possible : return -this->dvdp(rho,T)*rho/this->W(); +} + + +//- Return density [kg/m^3] +inline scalar aungierRedlichKwong::rho( + const scalar p, + const scalar T, + const scalar rho0 +) const +{ + + scalar molarVolumePrevIteration; + scalar molarVolume; + label iter=0; + label maxIter_=400; + scalar tol_=1e-8; + scalar rho1=rhoMax_; + scalar rho2=rhoMin_; + + molarVolume=this->W()/rho0; + + do + { + molarVolumePrevIteration= molarVolume; + + label i=0; + do + { + molarVolume=molarVolumePrevIteration + -( + (this->p((this->W()/molarVolumePrevIteration),T) - p) + /(this->dpdv((this->W()/molarVolumePrevIteration),T)) + )/pow(2,i); + + i++; + if (i>8) + { + //CL: using bisection methode as backup, + //CL: solution must be between rho=0.001 to rho=1500; + //CL: if not, change rhoMax_ and rhoMin_ + for(i=0; i<200; i++) + { + scalar f1 = this->p(rho1,T) - p; + scalar f2 = this->p(rho2,T) - p; + scalar rho3 = (rho1 + rho2)/2; + scalar f3 = this->p(rho3,T) - p; + + if ((f2 < 0 && f3 > 0) || (f2 > 0 && f3 < 0)) + { + rho1=rho3; + } + else if ((f1 < 0 && f3 > 0)||(f1 > 0 && f3 < 0)) + { + rho2=rho3; + } + else + { + rho2=(rho2 + rho3)/2; + } + + if(mag(f3) < p*tol_) + { + molarVolume=this->W()/rho3; + molarVolumePrevIteration=this->W()/rho3; + break; + } + else + { + molarVolumePrevIteration=this->W()/rho3; + } + } + } + } + while + ( + mag(this->p((this->W()/molarVolume),T) - p) + > mag(this->p((this->W()/molarVolumePrevIteration),T) - p) + ); + + if (iter++ > maxIter_) + { + FatalErrorIn + ( + "inline scalar aungierRedlichKwong::rho(const scalar p, const scalar T, const scalar rho0) const " + ) << "Maximum number of iterations exceeded" + << abort(FatalError); + } + } + while(mag(molarVolumePrevIteration-molarVolume) > tol_*(this->W()/rho0)); + + return this->W()/molarVolume; +} + + +//- Return density [kg/m^3] +inline scalar aungierRedlichKwong::rho(const scalar p,const scalar T) const +{ + //using perfect gas equation as starting point + return rho(p,T,p/(this->R()*T)); +} + + +//- Return compressibility drho/dp at T=constant [s^2/m^2] +inline scalar aungierRedlichKwong::psi(const scalar rho, const scalar T) const +{ + return -this->dvdp(rho,T)*rho*rho/this->W(); +} + + +//- Return compression factor [] +inline scalar aungierRedlichKwong::Z( const scalar p, const scalar T,const scalar rho0) const +{ + return p/(this->R()*T*this->rho(p,T,rho0)); +} + + +// * * * * * * * * * * * * * * * Member Operators * * * * * * * * * * * * * // + +inline void aungierRedlichKwong::operator+=(const aungierRedlichKwong& ark) +{ + specie::operator+=(ark); +} + + +inline void aungierRedlichKwong::operator*=(const scalar s) +{ + specie::operator*=(s); +} + + +// * * * * * * * * * * * * * * * Friend Operators * * * * * * * * * * * * * // + +inline aungierRedlichKwong operator+ +( + const aungierRedlichKwong& ark1, + const aungierRedlichKwong& ark2 +) +{ + return aungierRedlichKwong + ( + static_cast(ark1) + + static_cast(ark2) + ); +} + + +inline aungierRedlichKwong operator* +( + const scalar s, + const aungierRedlichKwong& ark +) +{ + return aungierRedlichKwong(s*static_cast(ark)); +} + + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +} // End namespace Foam + +// ************************************************************************* // 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..843de9319 --- /dev/null +++ b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/pengRobinson/pengRobinson.C @@ -0,0 +1,79 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +------------------------------------------------------------------------------- +License + This file is part of foam-extend. + + foam-extend is free software: you can redistribute it and/or modify it + under the terms of the GNU General Public License as published by the + Free Software Foundation, either version 3 of the License, or (at your + option) any later version. + + foam-extend is distributed in the hope that it will be useful, but + WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + General Public License for more details. + + You should have received a copy of the GNU General Public License + along with foam-extend. If not, see . + +Description + Peng Robinson equation of state. + +Author +Christian Lucas +Institut für Thermodynamik +Technische Universität Braunschweig +Germany + +\*---------------------------------------------------------------------------*/ + +#include "pengRobinson.H" +#include "IOstreams.H" + +// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * // + +Foam::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)), + b2_(b_*b_), + b3_(b2_*b_), + b4_(b3_*b_), + b5_(b4_*b_), + b6_(b5_*b_), + //CL: Only uses the default values + rhoMax_(1500), + rhoMin_(1e-3), + rhostd_(this->rho(Pstd,Tstd,Pstd/(Tstd*this->R()))), + aSave(0.0), + daSave(0.0), + d2aSave(0.0), + TSave(0.0) +{ + is.check("pengRobinson::pengRobinson(Istream& is)"); +} + + +// * * * * * * * * * * * * * * * Ostream Operator * * * * * * * * * * * * * // + +Foam::Ostream& Foam::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; +} + + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // diff --git a/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/pengRobinson/pengRobinson.H b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/pengRobinson/pengRobinson.H new file mode 100755 index 000000000..de2fec409 --- /dev/null +++ b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/pengRobinson/pengRobinson.H @@ -0,0 +1,296 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +------------------------------------------------------------------------------- +License + This file is part of foam-extend. + + foam-extend is free software: you can redistribute it and/or modify it + under the terms of the GNU General Public License as published by the + Free Software Foundation, either version 3 of the License, or (at your + option) any later version. + + foam-extend is distributed in the hope that it will be useful, but + WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + General Public License for more details. + + You should have received a copy of the GNU General Public License + along with foam-extend. If not, see . + +Class + Foam::pengRobinson + +Description + Peng Robinson equation of state. + + Paper: + Title: A New Two-Constant Equation of State + Authors: Ding-Yu Peng and Donald B. Robinson + Journal: Ind. Eng. Chem., Fundam., Vol. 15, No. 1, 1976 + + +SourceFiles + pengRobinsonI.H + pengRobinson.C + + +Author +Christian Lucas +Institut für Thermodynamik +Technische Universität Braunschweig +Germany + +\*---------------------------------------------------------------------------*/ + +#ifndef pengRobinson_H +#define pengRobinson_H + +#include "specie.H" +#include "autoPtr.H" + + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +namespace Foam +{ + +/*---------------------------------------------------------------------------*\ + Class perfectGas Declaration +\*---------------------------------------------------------------------------*/ + +class pengRobinson +: + public specie + +{ + // private data + scalar pcrit_; + mutable scalar Tcrit_; + scalar azentricFactor_; + + //-Peng Robinson factors + mutable scalar a0_; + mutable scalar b_; + mutable scalar n_; + + //CL: pow of constants b_ used in the code e.g. b2_=b*b; + mutable scalar b2_; + mutable scalar b3_; + mutable scalar b4_; + mutable scalar b5_; + mutable scalar b6_; + + //CL: rhoMin and rhoMax are only used as boundaries for the bisection methode (see rho function) + mutable scalar rhoMax_; + mutable scalar rhoMin_; + + //- Density @STD, initialise after a0, b! + mutable scalar rhostd_; + +protected: + + //CL: Variables to save the values of a, dadT and d2adT2 of the mixture + //CL: Variables must corrected for changing temperatures + mutable scalar aSave; + mutable scalar daSave; + mutable scalar d2aSave; + + //CL: save the temperature for which the save coefficients (amix,dadTmix,d2adT2mix) are correct + mutable scalar TSave; + + //Protected functions + //CL: function updates the coefficients (aSave, daSave, d2aSave) + inline void updateModelCoefficients(const scalar T) const; + +public: + + // Constructors + + //- Construct from components + inline pengRobinson + ( + const specie& sp + ); + + //- Construct from Istream + pengRobinson(Istream&); + + //- Construct as named copy + inline pengRobinson(const word& name,const pengRobinson&); + + //- Construct and return a clone + inline autoPtr clone() const; + + // Selector from Istream + inline static autoPtr New(Istream& is); + + // Member functions + inline scalar& rhostd(); + + inline scalar& rhostd() const; + + inline scalar& rhoMin(); + + inline scalar& rhoMin() const; + + inline scalar& rhoMax(); + + inline scalar& rhoMax() const; + + inline scalar& Tcrit(); + + inline scalar& Tcrit() const; + + //CL: Model coefficient a(T) + inline scalar a(const scalar T)const; + + //CL: temperature deriviative of model coefficient a(T) + inline scalar dadT(const scalar T)const; + + //CL: second order temperature deriviative of model coefficient a(T) + inline scalar d2adT2(const scalar T)const; + + //Return Peng Robinson factors + inline scalar& a0()const; + + inline scalar& a0(); + + inline scalar& b()const; + + inline scalar& b(); + + inline scalar& n()const; + + inline scalar& n(); + + //CL: return power of constants b_ + inline scalar& b2()const; + + inline scalar& b2(); + + inline scalar& b3()const; + + inline scalar& b3(); + + inline scalar& b4()const; + + inline scalar& b4(); + + inline scalar& b5()const; + + inline scalar& b5(); + + inline scalar& b6()const; + + inline scalar& b6(); + + //CL: Equation of state + inline scalar p(const scalar rho, const scalar T) const; + + //CL: first order derivatives + inline scalar dpdv(const scalar rho,const scalar T) const; + + inline scalar dpdT(const scalar rho, const scalar T) const; + + inline scalar dvdT(const scalar rho,const scalar T) const; + + inline scalar dvdp(const scalar rho, const scalar T) const; + + inline scalar isobarExpCoef + ( + const scalar rho, + const scalar T + ) const; + + inline scalar isothermalCompressiblity + ( + const scalar rho, + const scalar T + ) const; + + //CL: Used for cv + inline scalar integral_d2pdT2_dv + ( + const scalar rho, + const scalar T + ) const ; + + //CL: second order derivatives, not Used At The Moment + inline scalar d2pdv2(const scalar rho,const scalar T) const; + + inline scalar d2pdT2(const scalar rho,const scalar T) const; + + inline scalar d2pdvdT(const scalar rho,const scalar T) const; + + inline scalar d2vdT2(const scalar rho,const scalar T) const; + + //CL: Used for internal Energy + inline scalar integral_p_dv(const scalar rho,const scalar T) const; + + //CL: Used for Entropy + inline scalar integral_dpdT_dv(const scalar rho,const scalar T) const; + + //- Return density [kg/m^3] + // rho0 is the starting point of the newton solver used to calculate rho + inline scalar rho + ( + const scalar p, + const scalar T, + const scalar rho0 + ) const; + + inline scalar rho(const scalar p,const scalar T) const; + + //- Return compressibility drho/dp at T=constant [s^2/m^2] + inline scalar psi(const scalar rho, const scalar T) const; + + //- Return compression factor [] + inline scalar Z + ( + const scalar p, + const scalar T, + const scalar rho0 + ) const; + + // Member operators + + inline void operator+=(const pengRobinson&); + + inline void operator*=(const scalar); + + // Friend operators + + inline friend pengRobinson operator+ + ( + const pengRobinson&, + const pengRobinson& + ); + + inline friend pengRobinson operator* + ( + const scalar s, + const pengRobinson& + ); + + // Ostream Operator + + friend Ostream& operator<<(Ostream&, const pengRobinson&); +}; + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +} // End namespace Foam + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +#include "pengRobinsonI.H" + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +#endif + +// ************************************************************************* // diff --git a/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/pengRobinson/pengRobinsonI.H b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/pengRobinson/pengRobinsonI.H new file mode 100755 index 000000000..d0621f745 --- /dev/null +++ b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/pengRobinson/pengRobinsonI.H @@ -0,0 +1,646 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +------------------------------------------------------------------------------- +License + This file is part of foam-extend. + + foam-extend is free software: you can redistribute it and/or modify it + under the terms of the GNU General Public License as published by the + Free Software Foundation, either version 3 of the License, or (at your + option) any later version. + + foam-extend is distributed in the hope that it will be useful, but + WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + General Public License for more details. + + You should have received a copy of the GNU General Public License + along with foam-extend. If not, see . + +Author +Christian Lucas +Institut für Thermodynamik +Technische Universität Braunschweig +Germany + +\*---------------------------------------------------------------------------*/ + +#include "pengRobinson.H" + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +namespace Foam +{ + +// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * // + +// Construct from components +inline pengRobinson::pengRobinson +( + const specie& sp +) +: + specie(sp), + TSave(0) +{} + +// Construct as named copy +inline pengRobinson::pengRobinson(const word& name, const pengRobinson& pr) +: + specie(name, pr), + pcrit_(pr.pcrit_), + Tcrit_(pr.Tcrit_), + azentricFactor_(pr.azentricFactor_), + a0_(pr.a0_), + b_(pr.b_), + n_(pr.n_), + b2_(pr.b2_), + b3_(pr.b3_), + b4_(pr.b4_), + b5_(pr.b5_), + b6_(pr.b6_), + rhoMax_(pr.rhoMax_), + rhoMin_(pr.rhoMin_), + rhostd_(pr.rhostd_), + aSave(0.0), + daSave(0.0), + d2aSave(0.0), + TSave(0.0) +{} + + +// Construct and return a clone +inline autoPtr pengRobinson::clone() const +{ + return autoPtr(new pengRobinson(*this)); +} + + +// Selector from Istream +inline autoPtr pengRobinson::New(Istream& is) +{ + return autoPtr(new pengRobinson(is)); +} + + +// * * * * * * * * * * * * * Member Functions * * * * * * * * * * * // + +inline void pengRobinson::updateModelCoefficients(const scalar T)const +{ + aSave=a0_*pow(1+n_*(1-pow(T/Tcrit_,0.5)),2); + daSave=a0_*n_*(n_*sqrt(T/Tcrit_)-n_-1)*sqrt(T/Tcrit_)/T; + d2aSave=a0_*n_*(n_+1)*sqrt(T/Tcrit_)/(2*T*T); + + //CL: saving the temperature at which the coefficients are valid + TSave=T; +} + + +inline scalar& pengRobinson::rhostd() +{ + return rhostd_; +} + + +inline scalar& pengRobinson::rhostd()const +{ + return rhostd_; +} + +inline scalar& pengRobinson::rhoMin() +{ + return rhoMin_; +} + + +inline scalar& pengRobinson::rhoMin()const +{ + return rhoMin_; +} + + +inline scalar& pengRobinson::rhoMax() +{ + return rhoMax_; +} + + +inline scalar& pengRobinson::rhoMax()const +{ + return rhoMax_; +} + + +inline scalar& pengRobinson::Tcrit() +{ + return Tcrit_; +} + + +inline scalar& pengRobinson::Tcrit()const +{ + return Tcrit_; +} + + +//CL: Model coefficient a(T) +inline scalar pengRobinson::a(const scalar T)const +{ + //CL: check if a has already been calculated for this temperature + if(TSave==T) + { + return aSave; + } + //CL: If not, recalculate a(T), dadT(T) and d2adT2(T) + else + { + updateModelCoefficients(T); + return aSave; + } +} + + +//CL: temperature deriviative of model coefficient a(T) +inline scalar pengRobinson::dadT(const scalar T)const +{ + // check if a has already been calculated for this temperature + if(TSave==T) + { + return daSave; + } + //CL: If not, recalculate a(T), dadT(T) and d2adT2(T) + else + { + updateModelCoefficients(T); + return daSave; + } +} + + +//CL: second order temperature deriviative of model coefficient a(T) +inline scalar pengRobinson::d2adT2(const scalar T)const +{ + // check if a has already been calculated for this temperature + if(TSave==T) + { + return d2aSave; + } + //CL: If not, recalculate a(T), dadT(T) and d2adT2(T) + else + { + updateModelCoefficients(T); + return d2aSave; + } +} + + +inline scalar& pengRobinson::a0()const +{ + return a0_; +} + + +inline scalar& pengRobinson::a0() +{ + return a0_; +} + + +inline scalar& pengRobinson::b()const +{ + return b_; +} + + +inline scalar& pengRobinson::b() +{ + return b_; +} + + +inline scalar& pengRobinson::n()const +{ + return n_; +} + + +inline scalar& pengRobinson::n() +{ + 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::b2() +{ + return b2_; +} + + +inline scalar& pengRobinson::b3()const +{ + return b3_; +} + + +inline scalar& pengRobinson::b3() +{ + return b3_; +} + + +inline scalar& pengRobinson::b4()const +{ + return b4_; +} + + +inline scalar& pengRobinson::b4() +{ + return b4_; +} + + +inline scalar& pengRobinson::b5()const +{ + return b5_; +} + + +inline scalar& pengRobinson::b5() +{ + return b5_; +} + + +inline scalar& pengRobinson::b6()const +{ + return b6_; +} + + +inline scalar& pengRobinson::b6() +{ + return b6_; +} + + +//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; + scalar Vm2 = Vm*Vm; + + return this->RR*T/(Vm-b())-a(T)/(Vm2+2*b()*Vm-b2()); +} + + +//Real deviative dp/dv at constant temperature +//(molar values) +inline scalar pengRobinson::dpdv(const scalar rho, const scalar T) const +{ + scalar Vm = this->W()/rho; + scalar Vm2 = Vm*Vm; + scalar Vm3 = Vm2*Vm; + scalar Vm4 = Vm3*Vm; + + return( + 2*a(T)* + ( + b3()-b2()*Vm-b()*Vm2+Vm3 + ) + -this->RR*T* + ( + b4()-4*b3()*Vm+2*b2()*Vm2 + +4*b()*Vm3+Vm4 + ) + ) + /(pow(b()-Vm,2)*pow(b2()-2*b()*Vm-Vm2,2)); +} + + +//Real deviative dp/dT at constant molar volume +//(molar values) +inline scalar pengRobinson::dpdT(const scalar rho, const scalar T) const +{ + scalar Vm = this->W()/rho; + scalar Vm2 = Vm*Vm; + + return this->RR/(Vm-b())-dadT(T)/(Vm2+2*b()*Vm-b2()); +} + + +//Real deviative dv/dT at constant pressure +//by using implicit differentiation +//(molar values) +inline scalar pengRobinson::dvdT(const scalar rho,const scalar T) const +{ + return (-1)*this->dpdT(rho,T)/this->dpdv(rho,T); +} + + +//(molar values) +inline scalar pengRobinson::dvdp(const scalar rho,const scalar T) const +{ + return 1/this->dpdv(rho,T); +} + + +//(molar values) +//needed to calculate the internal energy +inline scalar pengRobinson::integral_p_dv(const scalar rho,const scalar T) const +{ + scalar Vm = this->W()/rho; + scalar root2=pow(2,0.5); + + return -root2*a(T)*log(b()*(1-root2)+Vm)/(4*b())+this->RR*T*log(Vm-b()) + +root2*a(T)*log(b()*(root2+1)+Vm)/(4*b()); +} + + +//(molar values) +//needed to calculate the entropy +inline scalar pengRobinson::integral_dpdT_dv(const scalar rho,const scalar T) const +{ + scalar Vm = this->W()/rho; + scalar root2=pow(2,0.5); + + return -root2*dadT(T)*log(b()*(1-root2)+Vm)/(4*b()) + +this->RR*log(Vm-b())+root2*dadT(T)*log(b()*(root2+1)+Vm)/(4*b()); +} + + +//(molar values) +inline scalar pengRobinson::d2pdT2(const scalar rho,const scalar T) const +{ + scalar Vm = this->W()/rho; + scalar Vm2 = Vm*Vm; + + return -d2adT2(T)/(Vm2+2*b()*Vm-b2()); +} + + +//(molar values) +inline scalar pengRobinson::d2pdv2(const scalar rho,const scalar T) const +{ + scalar Vm = this->W()/rho; + scalar Vm2 = Vm*Vm; + scalar Vm3 = Vm2*Vm; + scalar Vm4 = Vm3*Vm; + scalar Vm5 = Vm4*Vm; + scalar Vm6 = Vm5*Vm; + + return 2* + ( + a(T)* + ( + 5*b5()-9*b4()*Vm+4*b2()*Vm3+3*b()*Vm4-3*Vm5 + ) + -this->RR*T* + ( + b6()-6*b5()*Vm+9*b4()*Vm2+4*b3()*Vm3 + -9*b2()*Vm4-6*b()*Vm5-Vm6 + ) + ) + /(pow(b()-Vm,3)*pow(b2()-2*b()*Vm-Vm2,3)); +} + + +//(molar values) +//using second order implicit differentiation +inline scalar pengRobinson::d2vdT2(const scalar rho, const scalar T) const +{ + scalar dpdT2=this->dpdT(rho,T)*this->dpdT(rho,T); + scalar dpdv2=this->dpdv(rho,T)*this->dpdv(rho,T); + scalar dpdv3=dpdv2*this->dpdv(rho,T); + + return + -( + dpdT2*this->d2pdv2(rho,T) + + dpdv2*this->d2pdT2(rho,T) + - 2*this->dpdv(rho,T)*this->dpdT(rho,T)*this->d2pdvdT(rho,T) + ) + /(dpdv3); +} + + +//(molar values) +inline scalar pengRobinson::d2pdvdT(const scalar rho, const scalar T) const +{ + scalar Vm = this->W()/rho; + scalar Vm2 = Vm*Vm; + scalar Vm3 = Vm2*Vm; + scalar Vm4 = Vm3*Vm; + + return( + 2*dadT(T)* + ( + b3()-b2()*Vm-b()*Vm2+Vm3 + ) + -this->RR* + ( + b4()-4*b3()*Vm+2*b2()*Vm2 + +4*b()*Vm3+Vm4 + ) + ) + /(pow(b()-Vm,2)*pow(b2()-2*b()*Vm-Vm2,2)); +} + + +// the result of this intergal is needed for the nasa based cp polynomial +//(molar values) +inline scalar pengRobinson::integral_d2pdT2_dv(const scalar rho,const scalar T) const +{ + scalar Vm = this->W()/rho; + scalar root2=pow(2,0.5); + + return root2*d2adT2(T)*log(b()*(root2+1)+Vm)/(4*b())-root2*d2adT2(T)*log(b()*(1-root2)+Vm)/(4*b()); +} + + +//Isobar expansion Coefficent beta = 1/v (dv/dt) at constant p +//(molar values) +inline scalar pengRobinson::isobarExpCoef(const scalar rho,const scalar T) const +{ + return this->dvdT(rho, T)*rho/this->W(); +} + + +//isothemal compressiblity kappa (not Thermal conductivity) +//(molar values) +inline scalar pengRobinson::isothermalCompressiblity(const scalar rho,const scalar T) const +{ + return this->isobarExpCoef(rho, T)/this->dpdT(rho, T); + //CL: also possible + //CL: return -this->dvdp(rho,T)*rho/this->W(); +} + + +//- Return density [kg/m^3] +inline scalar pengRobinson::rho( + const scalar p, + const scalar T, + const scalar rho0 +) const +{ + + scalar molarVolumePrevIteration; + scalar molarVolume; + label iter=0; + label maxIter_=400; + scalar tol_=1e-8; + scalar rho1=rhoMax_; + scalar rho2=rhoMin_; + + molarVolume=this->W()/rho0; + + do + { + molarVolumePrevIteration= molarVolume; + + label i=0; + do + { + molarVolume=molarVolumePrevIteration + -( + (this->p((this->W()/molarVolumePrevIteration),T) - p) + /(this->dpdv((this->W()/molarVolumePrevIteration),T)) + )/pow(2,i); + + i++; + if (i>8) + { + //CL: using bisection methode as backup, + //CL: solution must be between rho=0.001 to rho=1500; + //CL: if not, change rhoMax_ and rhoMin_ + for(i=0; i<200; i++) + { + scalar f1 = this->p(rho1,T) - p; + scalar f2 = this->p(rho2,T) - p; + scalar rho3 = (rho1 + rho2)/2; + scalar f3 = this->p(rho3,T) - p; + + if ((f2 < 0 && f3 > 0) || (f2 > 0 && f3 < 0)) + { + rho1=rho3; + } + else if ((f1 < 0 && f3 > 0)||(f1 > 0 && f3 < 0)) + { + rho2=rho3; + } + else + { + rho2=(rho2 + rho3)/2; + } + + if(mag(f3) < p*tol_) + { + molarVolume=this->W()/rho3; + molarVolumePrevIteration=this->W()/rho3; + break; + } + else + { + molarVolumePrevIteration=this->W()/rho3; + } + } + } + } + while + ( + mag(this->p((this->W()/molarVolume),T) - p) + > mag(this->p((this->W()/molarVolumePrevIteration),T) - p) + ); + + if (iter++ > maxIter_) + { + FatalErrorIn + ( + "inline scalar pengRobinson::rho(const scalar p, const scalar T, const scalar rho0) const " + ) << "Maximum number of iterations exceeded" + << abort(FatalError); + } + } + while(mag(molarVolumePrevIteration-molarVolume) > tol_*(this->W()/rho0)); + + return this->W()/molarVolume; +} + + +//- Return density [kg/m^3]on +inline scalar pengRobinson::rho(const scalar p,const scalar T) const +{ + // using perfect gas equation as starting point + return rho(p,T,p/(this->R()*T)); +} + + +//- Return compressibility drho/dp at T=constant [s^2/m^2] +inline scalar pengRobinson::psi(const scalar rho, const scalar T) const +{ + return -this->dvdp(rho,T)*rho*rho/this->W(); +} + + +//- Return compression factor [] +inline scalar pengRobinson::Z( const scalar p, const scalar T,const scalar rho0) const +{ + return p/(this->R()*T*this->rho(p,T,rho0)); +} + + +// * * * * * * * * * * * * * * * Member Operators * * * * * * * * * * * * * // + +inline void pengRobinson::operator+=(const pengRobinson& pr) +{ + specie::operator+=(pr); +} + + +inline void pengRobinson::operator*=(const scalar s) +{ + specie::operator*=(s); +} + + +// * * * * * * * * * * * * * * * Friend Operators * * * * * * * * * * * * * // + +inline pengRobinson operator+ +( + const pengRobinson& pr1, + const pengRobinson& pr2 +) +{ + return pengRobinson + ( + static_cast(pr1) + + static_cast(pr2) + ); +} + + +inline pengRobinson operator* +( + const scalar s, + const pengRobinson& pr +) +{ + return pengRobinson(s*static_cast(pr)); +} + + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +} // End namespace Foam + +// ************************************************************************* // diff --git a/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/redlichKwong/redlichKwong.C b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/redlichKwong/redlichKwong.C new file mode 100755 index 000000000..f596ef4b6 --- /dev/null +++ b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/redlichKwong/redlichKwong.C @@ -0,0 +1,71 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +------------------------------------------------------------------------------- +License + This file is part of foam-extend. + + foam-extend is free software: you can redistribute it and/or modify it + under the terms of the GNU General Public License as published by the + Free Software Foundation, either version 3 of the License, or (at your + option) any later version. + + foam-extend is distributed in the hope that it will be useful, but + WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + General Public License for more details. + + You should have received a copy of the GNU General Public License + along with foam-extend. If not, see . + +Description + Redlich Kwong equation of state. + +Author +Christian Lucas +Institut für Thermodynamik +Technische Universität Braunschweig +Germany + +\*---------------------------------------------------------------------------*/ + +#include "redlichKwong.H" +#include "IOstreams.H" + +// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * // + +Foam::redlichKwong::redlichKwong(Istream& is) +: + specie(is), + pcrit_(readScalar(is)), + Tcrit_(readScalar(is)), + a_(0.42748*pow(this->RR,2)*pow(Tcrit_,2.5)/pcrit_), + b_(0.08664*this->RR*Tcrit_/pcrit_), + //CL: Only uses the default values + rhoMax_(1500), + rhoMin_(1e-3), + 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)"); +} + + +// * * * * * * * * * * * * * * * Ostream Operator * * * * * * * * * * * * * // + +Foam::Ostream& Foam::operator<<(Ostream& os, const redlichKwong& rk) +{ + os << static_cast(rk)<< token::SPACE + << rk.pcrit_ << tab<< rk.Tcrit_; + + os.check("Ostream& operator<<(Ostream& os, const redlichKwong& st)"); + return os; +} + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // diff --git a/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/redlichKwong/redlichKwong.H b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/redlichKwong/redlichKwong.H new file mode 100755 index 000000000..2270ebced --- /dev/null +++ b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/redlichKwong/redlichKwong.H @@ -0,0 +1,240 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +------------------------------------------------------------------------------- +License + This file is part of foam-extend. + + foam-extend is free software: you can redistribute it and/or modify it + under the terms of the GNU General Public License as published by the + Free Software Foundation, either version 3 of the License, or (at your + option) any later version. + + foam-extend is distributed in the hope that it will be useful, but + WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + General Public License for more details. + + You should have received a copy of the GNU General Public License + along with foam-extend. If not, see . + +Class + Foam::redlichKwong + +Description + Redlich Kwong equation of state. + +SourceFiles + redlichKwongI.H + redlichKwong.C + +Author +Christian Lucas +Institut für Thermodynamik +Technische Universität Braunschweig +Germany + +\*---------------------------------------------------------------------------*/ + +#ifndef redlichKwong_H +#define redlichKwong_H + +#include "specie.H" +#include "autoPtr.H" + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +namespace Foam +{ + +/*---------------------------------------------------------------------------*\ + Class redlichKwong Declaration +\*---------------------------------------------------------------------------*/ + +class redlichKwong +: + public specie +{ + //CL: data at critical point + scalar pcrit_; + scalar Tcrit_; + + //CL: Redlich Kwong factors + mutable scalar a_; + mutable scalar b_; + + //CL: rhoMin and rhoMax are only used as boundaries for the bisection methode (see rho function) + mutable scalar rhoMax_; + mutable scalar rhoMin_; + + //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_; + +public: + + // Constructors + + //- Construct from components + inline redlichKwong + ( + const specie& sp + ); + + //- Construct from Istream + redlichKwong(Istream&); + + //- Construct as named copy + inline redlichKwong(const word& name, const redlichKwong&); + + //- Construct and return a clone + inline autoPtr clone() const; + + // Selector from Istream + inline static autoPtr New(Istream& is); + + // Member functions + + inline scalar& rhostd() const; + + inline scalar& rhostd(); + + inline scalar& rhoMin() const; + + inline scalar& rhoMin(); + + inline scalar& rhoMax() const; + + inline scalar& rhoMax(); + + //Return Redlich Kwong factors + inline scalar& a() const; + + inline scalar& a(); + + inline scalar& b() const; + + inline scalar& b(); + + //CL: return power of constants b_ + inline scalar& b2()const; + + inline scalar& b2(); + + inline scalar& b3()const; + + inline scalar& b3(); + + inline scalar& b5()const; + + inline scalar& b5(); + + //CL: equation of state + inline scalar p(const scalar rho, const scalar T) const; + + //CL: first order derivatives + inline scalar dpdv(const scalar rho, const scalar T) const; + + inline scalar dpdT(const scalar rho, const scalar T) const; + + inline scalar dvdT(const scalar rho, const scalar T) const; + + inline scalar dvdp(const scalar rho, const scalar T) const; + + inline scalar isobarExpCoef(const scalar rho, const scalar T) const; + + inline scalar isothermalCompressiblity + ( + const scalar rho, + const scalar T + ) const; + + //CL: Used for cv + inline scalar integral_d2pdT2_dv + ( + const scalar rho, + const scalar T + ) const; + + //CL: Used for internal Energy + inline scalar integral_p_dv(const scalar rho, const scalar T) const; + + //CL: Used for Entropy + inline scalar integral_dpdT_dv(const scalar rho, const scalar T) const; + + //CL: second order derivatives, not Used At The Moment + inline scalar d2pdv2(const scalar rho, const scalar T) const; + + inline scalar d2pdT2(const scalar rho, const scalar T) const; + + inline scalar d2pdvdT(const scalar rho, const scalar T) const; + + inline scalar d2vdT2(const scalar rho, const scalar T) const; + + //- Return density [kg/m^3] + // rho0 is the starting point of the newton solver used to calculate rho + inline scalar rho + ( + const scalar p, + const scalar T, + const scalar rho0 + ) const; + + inline scalar rho(const scalar p, const scalar T) const; + + //- Return compressibility drho/dp at T=constant [s^2/m^2] + inline scalar psi(const scalar rho, const scalar T) const; + + //- Return compression factor [] + inline scalar Z + ( + const scalar p, + const scalar T, + const scalar rho0 + ) const; + + // Member operators + + inline void operator+=(const redlichKwong&); + inline void operator*=(const scalar); + + // Friend operators + + inline friend redlichKwong operator+ + ( + const redlichKwong&, + const redlichKwong& + ); + + inline friend redlichKwong operator* + ( + const scalar s, + const redlichKwong& + ); + + // Ostream Operator + + friend Ostream& operator<<(Ostream&, const redlichKwong&); +}; + + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +} // End namespace Foam + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +#include "redlichKwongI.H" + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +#endif + +// ************************************************************************* // diff --git a/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/redlichKwong/redlichKwongI.H b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/redlichKwong/redlichKwongI.H new file mode 100755 index 000000000..0652b35af --- /dev/null +++ b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/redlichKwong/redlichKwongI.H @@ -0,0 +1,533 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +------------------------------------------------------------------------------- +License + This file is part of foam-extend. + + foam-extend is free software: you can redistribute it and/or modify it + under the terms of the GNU General Public License as published by the + Free Software Foundation, either version 3 of the License, or (at your + option) any later version. + + foam-extend is distributed in the hope that it will be useful, but + WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + General Public License for more details. + + You should have received a copy of the GNU General Public License + along with foam-extend. If not, see . + +Author +Christian Lucas +Institut für Thermodynamik +Technische Universität Braunschweig +Germany + +\*---------------------------------------------------------------------------*/ + +#include "redlichKwong.H" + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +namespace Foam +{ + +// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * // + +// Construct from components +inline redlichKwong::redlichKwong +( + const specie& sp +) +: + specie(sp) +{} + + +// Construct as named copy +inline redlichKwong::redlichKwong(const word& name, const redlichKwong& rk) +: + specie(name, rk), + pcrit_(rk.pcrit_), + Tcrit_(rk.Tcrit_), + a_(rk.a_), + b_(rk.b_), + rhoMax_(rk.rhoMax_), + rhoMin_(rk.rhoMin_), + b2_(rk.b2_), + b3_(rk.b3_), + b5_(rk.b5_), + rhostd_(rk.rhostd_) +{} + + +// Construct and return a clone +inline autoPtr redlichKwong::clone() const +{ + return autoPtr(new redlichKwong(*this)); +} + + +// Selector from Istream +inline autoPtr redlichKwong::New(Istream& is) +{ + return autoPtr(new redlichKwong(is)); +} + + +// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * // + +inline scalar& redlichKwong::rhostd()const +{ + return rhostd_; +} + + +inline scalar& redlichKwong::rhostd() +{ + return rhostd_; +} + + +inline scalar& redlichKwong::rhoMin()const +{ + return rhoMin_; +} + + +inline scalar& redlichKwong::rhoMin() +{ + return rhoMin_; +} + + +inline scalar& redlichKwong::rhoMax()const +{ + return rhoMax_; +} + + +inline scalar& redlichKwong::rhoMax() +{ + return rhoMax_; +} + + +inline scalar& redlichKwong::a()const +{ + return a_; +} + + +inline scalar& redlichKwong::a() +{ + return a_; +} + + +inline scalar& redlichKwong::b()const +{ + return b_; +} + + +inline scalar& redlichKwong::b() +{ + return b_; +} + + +inline scalar& redlichKwong::b2()const +{ + return b2_; +} + + +inline scalar& redlichKwong::b2() +{ + return b2_; +} + + +inline scalar& redlichKwong::b3()const +{ + return b3_; +} + + +inline scalar& redlichKwong::b3() +{ + return b3_; +} + + +inline scalar& redlichKwong::b5()const +{ + return b5_; +} + + +inline scalar& redlichKwong::b5() +{ + return b5_; +} + + +//returns the pressure for a given density and temperature +inline scalar redlichKwong::p(const scalar rho, const scalar T) const +{ + scalar Vm = this->W()/rho; + return this->RR*T/(Vm - b_) - a_/(sqrt(T)*Vm*(Vm + b_)); +} + + +//Real deviative dp/dv at constant temperature +//(molar values) +inline scalar redlichKwong::dpdv(const scalar rho, const scalar T) const +{ + scalar Vm = this->W()/rho; + scalar Vm2 = Vm*Vm; + scalar Vm3 = Vm2*Vm; + + return (a_*(b3() - 3*b_*Vm2 + 2*Vm3) + - this->RR*pow(T,1.5)*Vm2*(b2() + 2*b_*Vm + Vm2)) + /(sqrt(T)*Vm2*pow((b_ + Vm),2)*pow( (b_ - Vm),2)); +} + + +//Real deviative dp/dT at constant molar volume +//(molar values) +inline scalar redlichKwong::dpdT(const scalar rho, const scalar T) const +{ + scalar Vm = this->W()/rho; + return 0.5*a_/(pow(T,1.5)*Vm*(b_ + Vm))-this->RR/(b_ - Vm); +} + + +//Real deviative dv/dT at constant pressure +//using implicit differentiation +//(molar values) +inline scalar redlichKwong::dvdT(const scalar rho, const scalar T) const +{ + return -this->dpdT(rho,T)/this->dpdv(rho,T); +} + + +//Real deviative dv/dp at constant temperature +//(molar values) +inline scalar redlichKwong::dvdp(const scalar rho, const scalar T) const +{ + return 1/this->dpdv(rho,T); +} + + +//needed to calculate the internal energy +//(molar values) +inline scalar redlichKwong::integral_p_dv +( + const scalar rho, + const scalar T +) const +{ + scalar Vm = this->W()/rho; + return this->RR*T*log(Vm - b_) + + (a_*log(b_ + Vm))/(b_*sqrt(T)) + - (a_*log(Vm))/(b_*sqrt(T)); +} + + +//needed to calculate the entropy +//(molar values) +inline scalar redlichKwong::integral_dpdT_dv +( + const scalar rho, + const scalar T +) const +{ + scalar T15_=pow(T,1.5); + + scalar Vm = this->W()/rho; + return this->RR*log(Vm - b_) + -(a_*log(b_ + Vm))/(2*b_*T15_) + +(a_*log(Vm))/(2*b_*T15_); +} + + +//(molar values) +inline scalar redlichKwong::d2pdT2(const scalar rho, const scalar T) const +{ + scalar Vm = this->W()/rho; + return -0.75*a_/(pow(T,2.5)*Vm*(b_ + Vm)); +} + + +//(molar values) +inline scalar redlichKwong::d2pdv2(const scalar rho, const scalar T) const +{ + scalar Vm = this->W()/rho; + scalar Vm2 = Vm*Vm; + scalar Vm3 = Vm2*Vm; + scalar Vm4 = Vm3*Vm; + scalar Vm5 = Vm4*Vm; + + return + ( + 2*( + a_*( + b5()-3*b3()*Vm2 + - b2()*Vm3 + + 6*b_*Vm4-3*Vm5 + ) + + this->RR*pow(T,1.5)*Vm3*(b3() + + 3*b2()*Vm + + 3*b_*Vm2+Vm3) + ) + /(sqrt(T)*Vm3*pow((b_ + Vm),3)*pow(Vm-b_,3)) + ); +} + + +//(molar values) +//using second Order implicit differentiation +inline scalar redlichKwong::d2vdT2(const scalar rho, const scalar T) const +{ + scalar dpdT2=this->dpdT(rho,T)*this->dpdT(rho,T); + scalar dpdv2=this->dpdv(rho,T)*this->dpdv(rho,T); + scalar dpdv3=dpdv2*this->dpdv(rho,T); + + return + -( + dpdT2*this->d2pdv2(rho,T) + + dpdv2*this->d2pdT2(rho,T) + - 2*this->dpdv(rho,T)*this->dpdT(rho,T)*this->d2pdvdT(rho,T) + ) + /(dpdv3); +} + + +//(molar values) +inline scalar redlichKwong::d2pdvdT(const scalar rho, const scalar T) const +{ + scalar Vm = this->W()/rho; + scalar Vm2 = Vm*Vm; + scalar Vm3 = Vm2*Vm; + scalar T15_ = pow(T,1.5); + + return + -(0.5*( + a_*(b3() - 3*b_*Vm2 + 2*Vm3) + + 2*this->RR*T15_*Vm2*(b2() + 2*b_*Vm + Vm2) + )) + /(T15_*Vm2*pow(b_ + Vm,2)*pow(b_ - Vm,2)); +} + + +// the result of this intergal is needed for the nasa based cp polynomial +//(molar values) +inline scalar redlichKwong::integral_d2pdT2_dv +( + const scalar rho, + const scalar T +) const +{ + scalar T25_=pow(T,2.5); + + scalar Vm = this->W()/rho; + return 0.75*a_*log(b_ + Vm)/(T25_*b_) + - 0.75*a_*log(Vm)/(T25_*b_); +} + + +//Isobar expansion Coefficent beta = 1/v (dv/dt) at constant p +//(molar values) +inline scalar redlichKwong::isobarExpCoef +( + const scalar rho, + const scalar T +) const +{ + return this->dvdT(rho, T)*rho/this->W(); +} + + +//isothemal compressiblity kappa (not Thermal conductivity) +//(molar values) +inline scalar redlichKwong::isothermalCompressiblity +( + const scalar rho, + const scalar T +) const +{ + return this->isobarExpCoef(rho, T)/this->dpdT(rho, T); + //also possible : return -this->dvdp(rho,T)*rho/this->W(); +} + + +//- Return density [kg/m^3] +inline scalar redlichKwong::rho +( + const scalar p, + const scalar T, + const scalar rho0 +) const +{ + + scalar molarVolumePrevIteration; + scalar molarVolume; + label iter=0; + label maxIter_=400; + scalar tol_=1e-8; + scalar rho1=rhoMax(); + scalar rho2=rhoMin(); + + molarVolume=this->W()/rho0; + + do + { + molarVolumePrevIteration= molarVolume; + + label i=0; + do + { + //CL: modified Newton solver + molarVolume=molarVolumePrevIteration + -( + (this->p((this->W()/molarVolumePrevIteration),T) - p) + /(this->dpdv((this->W()/molarVolumePrevIteration),T)) + )/pow(2,i); + + i++; + if (i>8) + { + //CL: using bisection methode as backup, + //CL: solution must be between rhoMin_ to rhoMax + for(i=0; i<200; i++) + { + scalar f1 = this->p(rho1,T) - p; + scalar f2 = this->p(rho2,T) - p; + scalar rho3 = (rho1 + rho2)/2; + scalar f3 = this->p(rho3,T) - p; + + if ((f2 < 0 && f3 > 0) || (f2 > 0 && f3 < 0)) + { + rho1=rho3; + } + else if ((f1 < 0 && f3 > 0)||(f1 > 0 && f3 < 0)) + { + rho2=rho3; + } + else + { + rho2=(rho2 + rho3)/2; + } + + if(mag(f3) < p*tol_) + { + molarVolume=this->W()/rho3; + molarVolumePrevIteration=this->W()/rho3; + break; + } + else + { + molarVolumePrevIteration=this->W()/rho3; + } + } + } + } + while + ( + mag(this->p((this->W()/molarVolume),T) - p) + > mag(this->p((this->W()/molarVolumePrevIteration),T) - p) + ); + + if (iter++ > maxIter_) + { + FatalErrorIn + ( + "inline scalar redlichKwong::rho(const scalar p, const scalar T, const scalar rho0) const " + ) << "Maximum number of iterations exceeded" + << abort(FatalError); + } + } + while(mag(molarVolumePrevIteration-molarVolume) > tol_*(this->W()/rho0)); + + return this->W()/molarVolume; +} + + +//- Return density [kg/m^3]on +inline scalar redlichKwong::rho(const scalar p, const scalar T) const +{ + // using perfect gas equation as starting point + return rho(p,T,p/(this->R()*T)); +} + + +//- Return compressibility drho/dp at T=constant [s^2/m^2] +inline scalar redlichKwong::psi(const scalar rho, const scalar T) const +{ + return -this->dvdp(rho,T)*rho*rho/this->W(); +} + + +//- Return compression factor [] +inline scalar redlichKwong::Z +( + const scalar p, + const scalar T, + const scalar rho0 +) const +{ + return p/(this->R()*T*this->rho(p,T,rho0)); +} + + +// * * * * * * * * * * * * * * * Member Operators * * * * * * * * * * * * * // + +inline void redlichKwong::operator+=(const redlichKwong& rk) +{ + specie::operator+=(rk); +} + + +inline void redlichKwong::operator*=(const scalar s) +{ + specie::operator*=(s); +} + + +// * * * * * * * * * * * * * * * Friend Operators * * * * * * * * * * * * * // + +inline redlichKwong operator+ +( + const redlichKwong& rk1, + const redlichKwong& rk2 +) +{ + return redlichKwong + ( + static_cast(rk1) + + static_cast(rk2) + ); +} + + +inline redlichKwong operator* +( + const scalar s, + const redlichKwong& rk +) +{ + return redlichKwong(s*static_cast(rk)); +} + + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +} // End namespace Foam + +// ************************************************************************* // diff --git a/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/soaveRedlichKwong/soaveRedlichKwong.C b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/soaveRedlichKwong/soaveRedlichKwong.C new file mode 100755 index 000000000..d0ee4fe27 --- /dev/null +++ b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/soaveRedlichKwong/soaveRedlichKwong.C @@ -0,0 +1,78 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +------------------------------------------------------------------------------- +License + This file is part of foam-extend. + + foam-extend is free software: you can redistribute it and/or modify it + under the terms of the GNU General Public License as published by the + Free Software Foundation, either version 3 of the License, or (at your + option) any later version. + + foam-extend is distributed in the hope that it will be useful, but + WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + General Public License for more details. + + You should have received a copy of the GNU General Public License + along with foam-extend. If not, see . + +Description + Soave Redlich Kwong equation of state. + +Author +Christian Lucas +Institut für Thermodynamik +Technische Universität Braunschweig +Germany + +\*---------------------------------------------------------------------------*/ + +#include "soaveRedlichKwong.H" +#include "IOstreams.H" + +// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * // + +Foam::soaveRedlichKwong::soaveRedlichKwong(Istream& is) +: + specie(is), + pcrit_(readScalar(is)), + Tcrit_(readScalar(is)), + azentricFactor_(readScalar(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)), + //CL: Only uses the default values + rhoMin_(1e-3), + rhoMax_(1500), + // Starting GUESS for the density by ideal gas law + rhostd_(this->rho(Pstd,Tstd,Pstd/(Tstd*this->R()))), + b2_(b_*b_), + b3_(b2_*b_), + b5_(b2_*b3_), + aSave(0.0), + daSave(0.0), + d2aSave(0.0), + TSave(0.0) +{ + is.check("soaveRedlichKwong::soaveRedlichKwong(Istream& is)"); +} + + +// * * * * * * * * * * * * * * * Ostream Operator * * * * * * * * * * * * * // + +Foam::Ostream& Foam::operator<<(Ostream& os, const soaveRedlichKwong& srk) +{ + os << static_cast(srk)<< token::SPACE + << srk.pcrit_ << tab<< srk.Tcrit_<. + +Class + Foam::soaveRedlichKwong + +Description + Soave Redlich Kwong equation of state. + + Paper: + Title: Equilibrium Constants from a Modified Redlich-Kwong Equation of State + Authors: G. Soave + Journal: Chemical Engineering Science, vol. 27(6), 1972, pp. 1197-1203 + +SourceFiles + soaveRedlichKwongI.H + soaveRedlichKwong.C + +Author +Christian Lucas +Institut für Thermodynamik +Technische Universität Braunschweig +Germany + +\*---------------------------------------------------------------------------*/ + +#ifndef soaveRedlichKwong_H +#define soaveRedlichKwong_H + +#include "specie.H" +#include "autoPtr.H" + + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +namespace Foam +{ + +/*---------------------------------------------------------------------------*\ + Class Soave Readlich Kwong Declaration +\*---------------------------------------------------------------------------*/ + +class soaveRedlichKwong +: + public specie + +{ + // private data + scalar pcrit_; + mutable scalar Tcrit_; + scalar azentricFactor_; + + //-Soave Redlich Kwong + mutable scalar a0_; + mutable scalar b_; + mutable scalar n_; + + //CL: rhoMin and rhoMax are only used as boundaries for the bisection methode (see rho function) + mutable scalar rhoMin_; + mutable scalar rhoMax_; + + //- Density @STD, initialise after a0, b! + mutable scalar rhostd_; + + //CL: pow of constants b_ used in the code e.g. b2_=b*b; + mutable scalar b2_; + mutable scalar b3_; + mutable scalar b5_; + +protected: + //CL: Variables to save the values of a, dadT and d2adT2 of the mixture + //CL: Variables must corrected for changing temperatures + mutable scalar aSave; + mutable scalar daSave; + mutable scalar d2aSave; + + //CL: save the temperature for which the save coefficients (amix,dadTmix,d2adT2mix) are correct + mutable scalar TSave; + + //Protected functions + //CL: function updates the coefficients (aSave, daSave, d2aSave) + inline void updateModelCoefficients(const scalar T) const; + +public: + + + // Constructors + + //- Construct from components + inline soaveRedlichKwong + ( + const specie& s + ); + + //- Construct from Istream + soaveRedlichKwong(Istream&); + + //- Construct as named copy + inline soaveRedlichKwong(const word& name,const soaveRedlichKwong&); + + //- Construct and return a clone + inline autoPtr clone() const; + + // Selector from Istream + inline static autoPtr New(Istream& is); + + // Member functions + inline scalar& rhostd(); + + inline scalar& rhostd() const; + + inline scalar& rhoMin(); + + inline scalar& rhoMin() const; + + inline scalar& rhoMax(); + + inline scalar& rhoMax() const; + + inline scalar& Tcrit(); + + inline scalar& Tcrit() const; + + //CL: Model coefficient a(T) + inline scalar a(const scalar T)const; + + //CL: temperature deriviative of model coefficient a(T) + inline scalar dadT(const scalar T)const; + + //CL: second order temperature deriviative of model coefficient a(T) + inline scalar d2adT2(const scalar T)const; + + //Return Soave Redlich Kwong factors + inline scalar& a0()const; + + inline scalar& a0(); + + inline scalar& b()const; + + inline scalar& b(); + + inline scalar& n()const; + + inline scalar& n(); + + //CL: return power of constants b_ + inline scalar& b2()const; + + inline scalar& b2(); + + inline scalar& b3()const; + + inline scalar& b3(); + + inline scalar& b5()const; + + inline scalar& b5(); + + //CL: Equation of state + inline scalar p(const scalar rho, const scalar T) const; + + //CL: first order derivatives + inline scalar dpdv(const scalar rho,const scalar T) const; + + inline scalar dpdT(const scalar rho, const scalar T) const; + + inline scalar dvdT(const scalar rho,const scalar T) const; + + inline scalar dvdp(const scalar rho, const scalar T) const; + + inline scalar isobarExpCoef + ( + const scalar rho, + const scalar T + ) const; + + inline scalar isothermalCompressiblity + ( + const scalar rho, + const scalar T + ) const; + + //CL: Used for cv + inline scalar integral_d2pdT2_dv(const scalar rho,const scalar T) const ; + + //CL: second order derivatives, not Used At The Moment + inline scalar d2pdv2(const scalar rho,const scalar T) const; + + inline scalar d2pdT2(const scalar rho,const scalar T) const; + + inline scalar d2pdvdT(const scalar rho,const scalar T) const; + + inline scalar d2vdT2(const scalar rho,const scalar T) const; + + //CL: Used for internal Energy + inline scalar integral_p_dv(const scalar rho,const scalar T) const; + + //Used for Entropy + inline scalar integral_dpdT_dv(const scalar rho,const scalar T) const; + + //- Return density [kg/m^3] + // rho0 is the starting point of the newton solver used to calculate rho + inline scalar rho + ( + const scalar p, + const scalar T, + const scalar rho0 + ) const; + + inline scalar rho(const scalar p,const scalar T) const; + + //- Return compressibility drho/dp at T=constant [s^2/m^2] + inline scalar psi(const scalar rho, const scalar T) const; + + //- Return compression factor [] + inline scalar Z + ( + const scalar p, + const scalar T, + const scalar rho0 + ) const; + + // Member operators + + inline void operator+=(const soaveRedlichKwong&); + + inline void operator*=(const scalar); + + // Friend operators + + inline friend soaveRedlichKwong operator+ + ( + const soaveRedlichKwong&, + const soaveRedlichKwong& + ); + + inline friend soaveRedlichKwong operator* + ( + const scalar s, + const soaveRedlichKwong& + ); + + // Ostream Operator + + friend Ostream& operator<<(Ostream&, const soaveRedlichKwong&); +}; + + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +} // End namespace Foam + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +#include "soaveRedlichKwongI.H" + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +#endif + +// ************************************************************************* // diff --git a/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/soaveRedlichKwong/soaveRedlichKwongI.H b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/soaveRedlichKwong/soaveRedlichKwongI.H new file mode 100755 index 000000000..e5a160c3b --- /dev/null +++ b/src/thermophysicalModels/specie/equationOfState/cubicEquationOfState/soaveRedlichKwong/soaveRedlichKwongI.H @@ -0,0 +1,606 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +------------------------------------------------------------------------------- +License + This file is part of foam-extend. + + foam-extend is free software: you can redistribute it and/or modify it + under the terms of the GNU General Public License as published by the + Free Software Foundation, either version 3 of the License, or (at your + option) any later version. + + foam-extend is distributed in the hope that it will be useful, but + WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + General Public License for more details. + + You should have received a copy of the GNU General Public License + along with foam-extend. If not, see . + +Author +Christian Lucas +Institut für Thermodynamik +Technische Universität Braunschweig +Germany + +\*---------------------------------------------------------------------------*/ + +#include "soaveRedlichKwong.H" + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +namespace Foam +{ + +// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * // + +// Construct from components +inline soaveRedlichKwong::soaveRedlichKwong +( + const specie& sp +) +: + specie(sp), + TSave(0) +{} + + +// Construct as named copy +inline soaveRedlichKwong::soaveRedlichKwong(const word& name,const soaveRedlichKwong& srk) +: + specie(name, srk), + pcrit_(srk.pcrit_), + Tcrit_(srk.Tcrit_), + azentricFactor_(srk.azentricFactor_), + a0_(srk.a0_), + b_(srk.b_), + n_(srk.n_), + rhoMin_(srk.rhoMin_), + rhoMax_(srk.rhoMax_), + rhostd_(srk.rhostd_), + b2_(srk.b2_), + b3_(srk.b3_), + b5_(srk.b5_), + aSave(0.0), + daSave(0.0), + d2aSave(0.0), + TSave(0.0) +{} + + +// Construct and return a clone +inline autoPtr soaveRedlichKwong::clone() const +{ + return autoPtr(new soaveRedlichKwong(*this)); +} + + +// Selector from Istream +inline autoPtr soaveRedlichKwong::New(Istream& is) +{ + return autoPtr(new soaveRedlichKwong(is)); +} + + +// * * * * * * * * * * * * * Member Functions * * * * * * * * * * * // + +inline void soaveRedlichKwong::updateModelCoefficients(const scalar T)const +{ + aSave=a0_*pow(1+n_*(1-pow(T/Tcrit_,0.5)),2); + daSave=a0_*n_*(n_*sqrt(T/Tcrit_)-n_-1)*sqrt(T/Tcrit_)/T; + d2aSave=a0_*n_*(n_+1)*sqrt(T/Tcrit_)/(2*T*T); + + //CL: saving the temperature at which the coefficients are valid + TSave=T; +} + + +inline scalar& soaveRedlichKwong::rhostd() +{ + return rhostd_; +} + + +inline scalar& soaveRedlichKwong::rhostd()const +{ + return rhostd_; +} + + +inline scalar& soaveRedlichKwong::rhoMin() +{ + return rhoMin_; +} + + +inline scalar& soaveRedlichKwong::rhoMin()const +{ + return rhoMin_; +} + + +inline scalar& soaveRedlichKwong::rhoMax() +{ + return rhoMax_; +} + + +inline scalar& soaveRedlichKwong::rhoMax()const +{ + return rhoMax_; +} + + +inline scalar& soaveRedlichKwong::Tcrit() +{ + return Tcrit_; +} + + +inline scalar& soaveRedlichKwong::Tcrit()const +{ + return Tcrit_; +} + + +//CL: Model coefficient a(T) +inline scalar soaveRedlichKwong::a(const scalar T)const +{ + //CL: check if a has already been calculated for this temperature + if(TSave==T) + { + return aSave; + } + //CL: If not, recalculate a(T), dadT(T) and d2adT2(T) + else + { + updateModelCoefficients(T); + return aSave; + } +} + + +//CL: temperature deriviative of model coefficient a(T) +inline scalar soaveRedlichKwong::dadT(const scalar T)const +{ + // check if a has already been calculated for this temperature + if(TSave==T) + { + return daSave; + } + //CL: If not, recalculate a(T), dadT(T) and d2adT2(T) + else + { + updateModelCoefficients(T); + return daSave; + } +} + + +//CL: second order temperature deriviative of model coefficient a(T) +inline scalar soaveRedlichKwong::d2adT2(const scalar T)const +{ + // check if a has already been calculated for this temperature + if(TSave==T) + { + return d2aSave; + } + //CL: If not, recalculate a(T), dadT(T) and d2adT2(T) + else + { + updateModelCoefficients(T); + return d2aSave; + } +} + + +inline scalar& soaveRedlichKwong::a0()const +{ + return a0_; +} + + +inline scalar& soaveRedlichKwong::a0() +{ + return a0_; +} + + +inline scalar& soaveRedlichKwong::b()const +{ + return b_; +} + + +inline scalar& soaveRedlichKwong::b() +{ + return b_; +} + + +inline scalar& soaveRedlichKwong::n()const +{ + return n_; +} + + +inline scalar& soaveRedlichKwong::n() +{ + return n_; +} + + +//CL: pow of constant b() used in the code e.g. b2_=b*b; +inline scalar& soaveRedlichKwong::b2()const +{ + return b2_; +} + + +inline scalar& soaveRedlichKwong::b2() +{ + return b2_; +} + + +inline scalar& soaveRedlichKwong::b3()const +{ + return b3_; +} + + +inline scalar& soaveRedlichKwong::b3() +{ + return b3_; +} + + +inline scalar& soaveRedlichKwong::b5()const +{ + return b5_; +} + + +inline scalar& soaveRedlichKwong::b5() +{ + return b5_; +} + + +//returns the pressure for a given density and temperature +inline scalar soaveRedlichKwong::p(const scalar rho,const scalar T) const +{ + scalar Vm = this->W()/rho; + + return + ( + this->RR*T/(Vm-b_) + -a(T)/(Vm*(Vm+b_)) + ); +} + + +//Real deviative dp/dv at constant temperature +//(molar values) +inline scalar soaveRedlichKwong::dpdv(const scalar rho, const scalar T) const +{ + scalar Vm = this->W()/rho; + scalar Vm2 = Vm*Vm; + scalar Vm3 = Vm2*Vm; + + return + ( + a(T)*(b3()-3*b_*Vm2+2*Vm3) + -this->RR*T*Vm2*(b2()+2*b_*Vm+Vm2) + ) + /(Vm2*pow(b_+Vm,2)*pow(b_-Vm,2)); +} + + +//Real deviative dp/dT at constant molar volume +//(molar values) +inline scalar soaveRedlichKwong::dpdT(const scalar rho, const scalar T) const +{ + scalar Vm = this->W()/rho; + + return + ( + this->RR/(Vm-b_) + -dadT(T)/(Vm*(Vm+b_)) + ); +} + + +//Real deviative dv/dT at constant pressure +//using implicit differentiation +// (molar values) +inline scalar soaveRedlichKwong::dvdT(const scalar rho,const scalar T) const +{ + return (-1)*this->dpdT(rho,T)/this->dpdv(rho,T); +} + + +//Real deviative dv/dp at constant temperature +//(molar values) +inline scalar soaveRedlichKwong::dvdp(const scalar rho,const scalar T) const +{ + return 1/this->dpdv(rho,T); +} + + +//needed to calculate the internal energy +//(molar values) +inline scalar soaveRedlichKwong::integral_p_dv(const scalar rho,const scalar T) const +{ + scalar Vm = this->W()/rho; + + return this->RR*T*log(Vm-b_)+a(T)*log(b_+Vm)/b_-a(T)*log(Vm)/b_; +} + + +//needed to calculate the entropy +//(molar values) +inline scalar soaveRedlichKwong::integral_dpdT_dv(const scalar rho,const scalar T) const +{ + scalar Vm = this->W()/rho; + + return this->RR*log(Vm-b_)+dadT(T)*log(b_+Vm)/b_-dadT(T)*log(Vm)/b_; +} + + +//(molar values) +inline scalar soaveRedlichKwong::d2pdT2(const scalar rho,const scalar T) const +{ + scalar Vm = this->W()/rho; + + return -d2adT2(T)/(Vm*(Vm+b_)); +} + + +//(molar values) +inline scalar soaveRedlichKwong::d2pdv2(const scalar rho,const scalar T) const +{ + scalar Vm = this->W()/rho; + scalar Vm2 = Vm*Vm; + scalar Vm3 = Vm2*Vm; + scalar Vm4 = Vm3*Vm; + scalar Vm5 = Vm4*Vm; + + return + 2* + ( + a(T)* + ( + b5()-3*b3()*Vm2-b2()*Vm3+6*b_*Vm4-3*Vm5 + ) + +this->RR*T*Vm3* + ( + b3()+3*b2()*Vm+3*b_*Vm2+Vm3 + ) + ) + /(Vm3*pow(b_+Vm,3)*pow(Vm-b_,3)); +} + + +//(molar values) +// using second Order implicit differentiation +inline scalar soaveRedlichKwong::d2vdT2(const scalar rho, const scalar T) const +{ + scalar dpdT2=this->dpdT(rho,T)*this->dpdT(rho,T); + scalar dpdv2=this->dpdv(rho,T)*this->dpdv(rho,T); + scalar dpdv3=dpdv2*this->dpdv(rho,T); + + return + -( + dpdT2*this->d2pdv2(rho,T) + + dpdv2*this->d2pdT2(rho,T) + - 2*this->dpdv(rho,T)*this->dpdT(rho,T)*this->d2pdvdT(rho,T) + ) + /(dpdv3); +} + + +//(molar values) +inline scalar soaveRedlichKwong::d2pdvdT(const scalar rho, const scalar T) const +{ + scalar Vm = this->W()/rho; + scalar Vm2 = Vm*Vm; + scalar Vm3 = Vm2*Vm; + + return + ( + dadT(T)*(b3()-3*b_*Vm2+2*Vm3) + -this->RR*Vm2*(b2()+2*b_*Vm+Vm2) + ) + /(Vm2*pow(b_+Vm,2)*pow(b_-Vm,2)); +} + + +// the result of this intergal is needed for the nasa based cp polynomial +//(molar values) +inline scalar soaveRedlichKwong::integral_d2pdT2_dv(const scalar rho,const scalar T) const +{ + scalar Vm = this->W()/rho; + + return d2adT2(T)*log(b_+Vm)/b_-d2adT2(T)*log(Vm)/b_; +} + + +//Isobar expansion Coefficent beta = 1/v (dv/dt) at constant p +//(molar values) +inline scalar soaveRedlichKwong::isobarExpCoef(const scalar rho,const scalar T) const +{ + return this->dvdT(rho, T)*rho/this->W(); +} + + +//isothemal compressiblity kappa (not Thermal conductivity) +//(molar values) +inline scalar soaveRedlichKwong::isothermalCompressiblity(const scalar rho,const scalar T) const +{ + return this->isobarExpCoef(rho, T)/this->dpdT(rho, T); +} + + +//- Return density [kg/m^3] +inline scalar soaveRedlichKwong::rho( + const scalar p, + const scalar T, + const scalar rho0 +) const +{ + + scalar molarVolumePrevIteration; + scalar molarVolume; + label iter=0; + label maxIter_=400; + scalar tol_=1e-8; + scalar rho1=rhoMax_; + scalar rho2=rhoMin_; + + molarVolume=this->W()/rho0; + + do + { + molarVolumePrevIteration= molarVolume; + + label i=0; + do + { + molarVolume=molarVolumePrevIteration + -( + (this->p((this->W()/molarVolumePrevIteration),T) - p) + /(this->dpdv((this->W()/molarVolumePrevIteration),T)) + )/pow(2,i); + + i++; + if (i>8) + { + //CL: using bisection methode as backup, + //CL: solution must be between rho=0.001 to rho=1500; + //CL: if not, change rhoMax_ and rhoMin_ + for(i=0; i<200; i++) + { + scalar f1 = this->p(rho1,T) - p; + scalar f2 = this->p(rho2,T) - p; + scalar rho3 = (rho1 + rho2)/2; + scalar f3 = this->p(rho3,T) - p; + + if ((f2 < 0 && f3 > 0) || (f2 > 0 && f3 < 0)) + { + rho1=rho3; + } + else if ((f1 < 0 && f3 > 0)||(f1 > 0 && f3 < 0)) + { + rho2=rho3; + } + else + { + rho2=(rho2 + rho3)/2; + } + + if(mag(f3) < p*tol_) + { + molarVolume=this->W()/rho3; + molarVolumePrevIteration=this->W()/rho3; + break; + } + else + { + molarVolumePrevIteration=this->W()/rho3; + } + } + } + } + while + ( + mag(this->p((this->W()/molarVolume),T) - p) + > mag(this->p((this->W()/molarVolumePrevIteration),T) - p) + ); + + if (iter++ > maxIter_) + { + FatalErrorIn + ( + "inline scalar soaveRedlichKwong::rho(const scalar p, const scalar T, const scalar rho0) const " + ) << "Maximum number of iterations exceeded" + << abort(FatalError); + } + } + while(mag(molarVolumePrevIteration-molarVolume) > tol_*(this->W()/rho0)); + + return this->W()/molarVolume; +} + + +//- Return density [kg/m^3]on +inline scalar soaveRedlichKwong::rho(const scalar p,const scalar T) const +{ + //CL: using perfect gas equation as starting point + return rho(p,T,p/(this->R()*T)); +} + + +//- Return compressibility drho/dp at T=constant [s^2/m^2] +inline scalar soaveRedlichKwong::psi(const scalar rho, const scalar T) const +{ + return -this->dvdp(rho,T)*rho*rho/this->W(); +} + + +//- Return compression factor [] +inline scalar soaveRedlichKwong::Z( const scalar p, const scalar T,const scalar rho0) const +{ + return p/(this->R()*T*this->rho(p,T,rho0)); +} + + +// * * * * * * * * * * * * * * * Member Operators * * * * * * * * * * * * * // + +inline void soaveRedlichKwong::operator+=(const soaveRedlichKwong& srk) +{ + specie::operator+=(srk); +} + + +inline void soaveRedlichKwong::operator*=(const scalar s) +{ + specie::operator*=(s); +} + + +// * * * * * * * * * * * * * * * Friend Operators * * * * * * * * * * * * * // + +inline soaveRedlichKwong operator+ +( + const soaveRedlichKwong& srk1, + const soaveRedlichKwong& srk2 +) +{ + return soaveRedlichKwong + ( + static_cast(srk1) + + static_cast(srk2) + ); +} + + +inline soaveRedlichKwong operator* +( + const scalar s, + const soaveRedlichKwong& srk +) +{ + return soaveRedlichKwong(s*static_cast(srk)); +} + + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +} // End namespace Foam + +// ************************************************************************* // diff --git a/src/thermophysicalModels/specie/thermo/realGasThermo/constantHeatCapacity/constantHeatCapacity.C b/src/thermophysicalModels/specie/thermo/realGasThermo/constantHeatCapacity/constantHeatCapacity.C new file mode 100755 index 000000000..440bf888d --- /dev/null +++ b/src/thermophysicalModels/specie/thermo/realGasThermo/constantHeatCapacity/constantHeatCapacity.C @@ -0,0 +1,71 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +------------------------------------------------------------------------------- +License + This file is part of foam-extend. + + foam-extend is free software: you can redistribute it and/or modify it + under the terms of the GNU General Public License as published by the + Free Software Foundation, either version 3 of the License, or (at your + option) any later version. + + foam-extend is distributed in the hope that it will be useful, but + WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + General Public License for more details. + + You should have received a copy of the GNU General Public License + along with foam-extend. If not, see . + +Author +Christian Lucas +Institut für Thermodynamik +Technische Universität Braunschweig +Germany + +\*---------------------------------------------------------------------------*/ + +#include "constantHeatCapacity.H" +#include "IOstreams.H" + +// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * // + +template +Foam::constantHeatCapacity::constantHeatCapacity(Istream& is) +: + equationOfState(is), + Cp0_(readScalar(is)), + cp0_(Cp0_*this->W()), + //values for some need terms at std + e0_std(e0(this->Tstd)), + s0_std(s0(this->Tstd)), + integral_p_dv_std(this->integral_p_dv(this->rhostd(),this->Tstd)), + integral_dpdT_dv_std(this->integral_dpdT_dv(this->rhostd(),this->Tstd)), + // cp @ STD (needed to limit cp for stability + cp_std(this->cp_nonLimited(this->rhostd(),this->Tstd)) +{ + is.check("constantHeatCapacity::constantHeatCapacity(Istream& is)"); +} + + +// * * * * * * * * * * * * * * * Ostream Operator * * * * * * * * * * * * * // + +template +Foam::Ostream& Foam::operator<< +( + Ostream& os, + const constantHeatCapacity& np +) +{ + os << static_cast(np) << tab + << np.Cp0_; + os.check("Ostream& operator<<(Ostream& os, const constantHeatCapacity& np)"); + return os; +} + + +// ************************************************************************* // diff --git a/src/thermophysicalModels/specie/thermo/realGasThermo/constantHeatCapacity/constantHeatCapacity.H b/src/thermophysicalModels/specie/thermo/realGasThermo/constantHeatCapacity/constantHeatCapacity.H new file mode 100755 index 000000000..438b386f2 --- /dev/null +++ b/src/thermophysicalModels/specie/thermo/realGasThermo/constantHeatCapacity/constantHeatCapacity.H @@ -0,0 +1,256 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +------------------------------------------------------------------------------- +License + This file is part of foam-extend. + + foam-extend is free software: you can redistribute it and/or modify it + under the terms of the GNU General Public License as published by the + Free Software Foundation, either version 3 of the License, or (at your + option) any later version. + + foam-extend is distributed in the hope that it will be useful, but + WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + General Public License for more details. + + You should have received a copy of the GNU General Public License + along with foam-extend. If not, see . + +Class + Foam::constantHeatCapacity + +Description + real gas thermodynamic class --> constant perfect gas heat capacity + Important: the perfect gas heat capacity is constant, the real heat capacity is not constant due to real gas corrections + + templated into the equationOfState + -> uses the equation of state to calculate all real Gas properties like Enthalpy, Entropy ... + -> can not be used with the perfectGas equation of state + + Equations for the real gas correction: Have a look at thermodnamics books e.g. Thermodynamics: + An Engineering Approch, 5 Edition, Chapter 12 + +SourceFiles + constantHeatCapacityI.H + constantHeatCapacity.C + +Author +Christian Lucas +Institut für Thermodynamik +Technische Universität Braunschweig +Germany + +\*---------------------------------------------------------------------------*/ + +#ifndef constantHeatCapacity_H +#define constantHeatCapacity_H + + + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +namespace Foam +{ + +// Forward declaration of friend functions and operators + +template class constantHeatCapacity; + +template +inline constantHeatCapacity operator+ +( + const constantHeatCapacity&, + const constantHeatCapacity& +); + +template +inline constantHeatCapacity operator- +( + const constantHeatCapacity&, + const constantHeatCapacity& +); + +template +inline constantHeatCapacity operator* +( + const scalar, + const constantHeatCapacity& +); + +template +inline constantHeatCapacity operator== +( + const constantHeatCapacity&, + const constantHeatCapacity& +); + +template +Ostream& operator<< +( + Ostream&, + const constantHeatCapacity& +); + + +/*---------------------------------------------------------------------------*\ + Class constantHeatCapacity Thermo Declaration +\*---------------------------------------------------------------------------*/ + +template +class constantHeatCapacity +: + public equationOfState +{ + // Private data + + //CL: spec. cp + scalar Cp0_; + //CL: molar values + scalar cp0_; + scalar e0_std; + scalar s0_std; + scalar integral_p_dv_std; + scalar integral_dpdT_dv_std; + scalar cp_std; + + // Private member functions + + //- Construct from components + //CL: used for the operator+ + inline constantHeatCapacity + ( + const equationOfState& st, + const scalar cp0_ + ); + + //- Construct from components + //CL: used for the operator* + inline constantHeatCapacity + ( + const equationOfState& st, + const scalar cp0_, + const scalar e0_std_, + const scalar s0_std_, + const scalar integral_p_dv_std_, + const scalar integral_dpdT_dv_std_, + const scalar cp_std_ + ); + +public: + +//Variable + + // Constructors + //- Construct from Istream + constantHeatCapacity(Istream&); + + //- Construct as named copy + inline constantHeatCapacity(const word&, const constantHeatCapacity&); + + //- Construct and return a clone + inline autoPtr clone() const; + + //- Selector from Istream + inline static autoPtr New(Istream& is); + + // Member Functions + + //- perfect Gas Enthalpy [J/kmol] + inline scalar h0(const scalar T) const; + + //- perfect Gas Entropy [J/(kmol K)] + inline scalar s0(const scalar T) const; + + //- perfect Gas internal Energy [J/kmol] + inline scalar e0(const scalar T) const; + + //- perfect gas Heat capacity at constant pressure [J/(kmol K)] + inline scalar cv0(const scalar T) const; + + //- perfect gas Heat capacity at constant pressure [J/(kmol K)] + inline scalar cp0(const scalar T) const; + + //- Limited Heat capacity at constant pressure [J/(kmol K)] + inline scalar cp(const scalar rho, const scalar T) const; + + //- non Limited Heat capacity at constant pressure [J/(kmol K)] + inline scalar cp_nonLimited(const scalar rho, const scalar T) const; + + //- Heat capacity at constant pressure [J/(kmol K)] + inline scalar cv(const scalar rho, const scalar T) const; + + //- Enthalpy [J/kmol] + inline scalar h(const scalar rho, const scalar T) const; + + //- Entropy [J/(kmol K)] + inline scalar s(const scalar rho,const scalar T) const; + + //- Internal Energy [J/kmol] + inline scalar e(const scalar rho, const scalar T) const; + + + // Member operators + + inline void operator+=(const constantHeatCapacity&); + inline void operator-=(const constantHeatCapacity&); + + + // Friend operators + + friend constantHeatCapacity operator+ + ( + const constantHeatCapacity&, + const constantHeatCapacity& + ); + + friend constantHeatCapacity operator- + ( + const constantHeatCapacity&, + const constantHeatCapacity& + ); + + friend constantHeatCapacity operator* + ( + const scalar, + const constantHeatCapacity& + ); + + friend constantHeatCapacity operator== + ( + const constantHeatCapacity&, + const constantHeatCapacity& + ); + + + // IOstream Operators + + friend Ostream& operator<< + ( + Ostream&, + const constantHeatCapacity& + ); +}; + + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +} // End namespace Foam + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +#include "constantHeatCapacityI.H" + +#ifdef NoRepository +# include "constantHeatCapacity.C" +#endif + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +#endif + +// ************************************************************************* // diff --git a/src/thermophysicalModels/specie/thermo/realGasThermo/constantHeatCapacity/constantHeatCapacityI.H b/src/thermophysicalModels/specie/thermo/realGasThermo/constantHeatCapacity/constantHeatCapacityI.H new file mode 100755 index 000000000..92cc0e91a --- /dev/null +++ b/src/thermophysicalModels/specie/thermo/realGasThermo/constantHeatCapacity/constantHeatCapacityI.H @@ -0,0 +1,402 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +------------------------------------------------------------------------------- +License + This file is part of foam-extend. + + foam-extend is free software: you can redistribute it and/or modify it + under the terms of the GNU General Public License as published by the + Free Software Foundation, either version 3 of the License, or (at your + option) any later version. + + foam-extend is distributed in the hope that it will be useful, but + WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + General Public License for more details. + + You should have received a copy of the GNU General Public License + along with foam-extend. If not, see . + +Author +Christian Lucas +Institut für Thermodynamik +Technische Universität Braunschweig +Germany + +\*---------------------------------------------------------------------------*/ + +// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * // + +//- Construct from components +//CL: used for the operator+ +template +inline Foam::constantHeatCapacity::constantHeatCapacity +( + const equationOfState& st, + const scalar cp0_ +) +: + equationOfState(st), + cp0_(cp0_), + e0_std(e0(this->Tstd)), + s0_std(s0(this->Tstd)), + integral_p_dv_std(this->integral_p_dv(this->rhostd(),this->Tstd)), + integral_dpdT_dv_std(this->integral_dpdT_dv(this->rhostd(),this->Tstd)), + cp_std(this->cp_nonLimited(this->rhostd(),this->Tstd)) +{} + + +//- Construct from components +//CL: used for the operator* +template +inline Foam::constantHeatCapacity::constantHeatCapacity +( + const equationOfState& st, + const scalar cp0_, + const scalar e0_std_, + const scalar s0_std_, + const scalar integral_p_dv_std_, + const scalar integral_dpdT_dv_std_, + const scalar cp_std_ +) +: + equationOfState(st), + cp0_(cp0_), + e0_std(e0_std_), + s0_std(s0_std_), + integral_p_dv_std(integral_p_dv_std_), + integral_dpdT_dv_std(integral_dpdT_dv_std_), + cp_std(cp_std_) +{} + + +template +inline Foam::constantHeatCapacity::constantHeatCapacity +( + const word& name, + const constantHeatCapacity& np +) +: + equationOfState(name, np), + cp0_(np.cp0_), + e0_std(np.e0_std), + s0_std(np.s0_std), + integral_p_dv_std(np.integral_p_dv_std), + integral_dpdT_dv_std(np.integral_dpdT_dv_std), + cp_std(np.cp_std) +{} + + +template +inline Foam::autoPtr > +Foam::constantHeatCapacity::clone() const +{ + return autoPtr > + ( + new constantHeatCapacity(*this) + ); +} + + +template +inline Foam::autoPtr > +Foam::constantHeatCapacity::New(Istream& is) +{ + return autoPtr > + ( + new constantHeatCapacity(is) + ); +} + + +// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * // + +//used to calculate the internal energy +//perfect gas enthalpy +template +inline Foam::scalar Foam::constantHeatCapacity::h0 +( + const scalar T +) const +{ + return cp0_*T; +} + + +//used to calculate the internal energy +//perfect gas internal energy +template +inline Foam::scalar Foam::constantHeatCapacity::e0 +( + const scalar T +) const +{ + return this->h0(T) - this->RR*T; +} + + +// used to calculate the entropy +// perfect gas entropy +template +inline Foam::scalar Foam::constantHeatCapacity::s0 +( + const scalar T +) const +{ + return cp0_*log(T); +} + + +//perfect gas cp +template +inline Foam::scalar Foam::constantHeatCapacity::cp0 +( + const scalar T +) const +{ + return cp0_; +} + + +//perfect gas cv +template +inline Foam::scalar Foam::constantHeatCapacity::cv0 +( + const scalar T +) const +{ + + return this->cp0(T)-this->RR; +} + + +//function to calculate real gas cp +//using cp=cv+(dp/dT)^2/(dp/dv) +template +inline Foam::scalar Foam::constantHeatCapacity::cp +( + const scalar rho, + const scalar T +) const +{ + // Problem --> dpdv(rho,T) is =0 at some points within the vapour dome. To increase stability, (dp/dv) has to be limited + // cp can be negative within the vapor dome. To avoid this nonphysical result, the absolute value is used. + // within the vapourdome and at the critical point, cp increases to very high values --> infinity, + // this would decrease the stability, so cp will be limited to 20 times the cp @ STD + return + min + ( + cp_std*20, + fabs + ( + this->cv(rho,T) + -T*pow((this->dpdT(rho, T)),2) + /min(this->dpdv(rho, T),-1) + ) + ); +} + + +// this function is needed to get cp @ STD (without the limit imposed in the function above), +// which in turn is needed to limit the cp in the function above +template +inline Foam::scalar Foam::constantHeatCapacity::cp_nonLimited +( + const scalar rho, + const scalar T +) const +{ + return fabs(this->cv(rho,T)-T*pow((this->dpdT(rho, T)),2)/min(this->dpdv(rho, T),-1)); +} + + +//function to calculate real gas cv +//cv=cv0+T*integral d2p/dT2 dv +template +inline Foam::scalar Foam::constantHeatCapacity::cv +( + const scalar rho, + const scalar T + +) const +{ + return this->cv0(T)+T*this->integral_d2pdT2_dv(rho, T); +} + + +//function to calculate real gas enthalpy +template +inline Foam::scalar Foam::constantHeatCapacity::h +( + const scalar rho, + const scalar T +) const +{ + return this->e(rho,T)+this->p(rho,T)/rho*this->W()-this->Pstd/this->rhostd()*this->W(); +} + + +// function to calculate real gas internal energy +// important assumption used: internal Energie is 0 at STD conditions. +// equation: du= cv0 dT +[T*dp/dT -p]dv +template +inline Foam::scalar Foam::constantHeatCapacity::e +( + const scalar rho, + const scalar T +) const +{ + return + ( + -this->Tstd*integral_dpdT_dv_std + +integral_p_dv_std + +this->e0(T)-e0_std + +T*this->integral_dpdT_dv(rho,T) + -this->integral_p_dv(rho,T) + ); +} + + +//function to calculate real gas entropy +// important assumption used: the Entropy is 0 at STD conditions. +// equation: ds= cv0/T * dT + dp/dT *dv +// --> integral cv0/T dT = s0(T) -s0(Tstd) - R*ln(T/Tstd) --> due to s0(T)-s0(Tstd)=integral cp0/T dT +template +inline Foam::scalar Foam::constantHeatCapacity::s +( + const scalar rho, + const scalar T + +) const +{ + return -integral_dpdT_dv_std + +(this->s0(T)-s0_std) + -this->RR*log(T/this->Tstd) + + this->integral_dpdT_dv(rho,T); +} + + +// * * * * * * * * * * * * * * * Member Operators * * * * * * * * * * * * * // + +template +inline void Foam::constantHeatCapacity::operator+= +( + const constantHeatCapacity& np +) +{ + + scalar molr1 = this->nMoles(); + + equationOfState::operator+=(np); + + molr1 /= this->nMoles(); + scalar molr2 = np.nMoles()/this->nMoles(); + + cp0_ = molr1*cp0_ + molr2*np.cp0_; +} + + +template +inline void Foam::constantHeatCapacity::operator-= +( + const constantHeatCapacity& np +) +{ + scalar molr1 = this->nMoles(); + + constantHeatCapacity::operator-=(np); + + molr1 /= this->nMoles(); + scalar molr2 = np.nMoles()/this->nMoles(); + + cp0_ = molr1*cp0_ - molr2*np.cp0_; +} + + +// * * * * * * * * * * * * * * * Friend Operators * * * * * * * * * * * * * // + +template +inline Foam::constantHeatCapacity Foam::operator+ +( + const constantHeatCapacity& np1, + const constantHeatCapacity& np2 +) +{ + equationOfState eofs + ( + static_cast(np1) + + static_cast(np2) + ); + + //CL: Important, calls a different constructor as operator* + //CL: the coefficients as well as the EOS (coefficients) changed + //CL: therefore, the values at STD needs to be recalculated + return constantHeatCapacity + ( + eofs, + np1.nMoles()/eofs.nMoles()*np1.cp0_ + + np2.nMoles()/eofs.nMoles()*np2.cp0_ + ); +} + + +template +inline Foam::constantHeatCapacity Foam::operator- +( + const constantHeatCapacity& np1, + const constantHeatCapacity& np2 +) +{ + equationOfState eofs + ( + static_cast(np1) + - static_cast(np2) + ); + + return constantHeatCapacity + ( + eofs, + np1.nMoles()/eofs.nMoles()*np1.cp0_ + - np2.nMoles()/eofs.nMoles()*np2.cp0_ + ); +} + + +template +inline Foam::constantHeatCapacity Foam::operator* +( + const scalar s, + const constantHeatCapacity& np +) +{ + //CL: values at STD don't need to be recalculated, + //CL: therefore, providing the values in the constructor + return constantHeatCapacity + ( + s*static_cast(np), + np.cp0_, + np.e0_std, + np.s0_std, + np.integral_p_dv_std, + np.integral_dpdT_dv_std, + np.cp_std + ); +} + + +template +inline Foam::constantHeatCapacity Foam::operator== +( + const constantHeatCapacity& np1, + const constantHeatCapacity& np2 +) +{ + return np2 - np1; +} + + +// ************************************************************************* // diff --git a/src/thermophysicalModels/specie/thermo/realGasThermo/nasaHeatCapacityPolynomial/nasaHeatCapacityPolynomial.C b/src/thermophysicalModels/specie/thermo/realGasThermo/nasaHeatCapacityPolynomial/nasaHeatCapacityPolynomial.C new file mode 100755 index 000000000..18a8aab1c --- /dev/null +++ b/src/thermophysicalModels/specie/thermo/realGasThermo/nasaHeatCapacityPolynomial/nasaHeatCapacityPolynomial.C @@ -0,0 +1,76 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +------------------------------------------------------------------------------- +License + This file is part of foam-extend. + + foam-extend is free software: you can redistribute it and/or modify it + under the terms of the GNU General Public License as published by the + Free Software Foundation, either version 3 of the License, or (at your + option) any later version. + + foam-extend is distributed in the hope that it will be useful, but + WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + General Public License for more details. + + You should have received a copy of the GNU General Public License + along with foam-extend. If not, see . + +Author +Christian Lucas +Institut für Thermodynamik +Technische Universität Braunschweig +Germany + +\*---------------------------------------------------------------------------*/ + +#include "nasaHeatCapacityPolynomial.H" +#include "IOstreams.H" + +// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * // + +template +Foam::nasaHeatCapacityPolynomial::nasaHeatCapacityPolynomial(Istream& is) +: + equationOfState(is), + a1_(readScalar(is)), + a2_(readScalar(is)), + a3_(readScalar(is)), + a4_(readScalar(is)), + a5_(readScalar(is)), + a6_(readScalar(is)), + a7_(readScalar(is)), + //values for some need terms at std + e0_std(e0(this->Tstd)), + s0_std(s0(this->Tstd)), + integral_p_dv_std(this->integral_p_dv(this->rhostd(),this->Tstd)), + integral_dpdT_dv_std(this->integral_dpdT_dv(this->rhostd(),this->Tstd)), + //cp @ STD (needed to limit cp for stability + cp_std(this->cp_nonLimited(this->rhostd(),this->Tstd)) +{ + is.check("nasaHeatCapacityPolynomial::nasaHeatCapacityPolynomial(Istream& is)"); +} + + +// * * * * * * * * * * * * * * * Ostream Operator * * * * * * * * * * * * * // + +template +Foam::Ostream& Foam::operator<< +( + Ostream& os, + const nasaHeatCapacityPolynomial& np +) +{ + os << static_cast(np) << tab + << np.a1_ << tab<< np.a2_ << tab << np.a3_ << tab << np.a4_ << tab << np.a5_ << tab << np.a6_ << tab << np.a7_ ; + os.check("Ostream& operator<<(Ostream& os, const nasaHeatCapacityPolynomial& np)"); + return os; +} + + +// ************************************************************************* // diff --git a/src/thermophysicalModels/specie/thermo/realGasThermo/nasaHeatCapacityPolynomial/nasaHeatCapacityPolynomial.H b/src/thermophysicalModels/specie/thermo/realGasThermo/nasaHeatCapacityPolynomial/nasaHeatCapacityPolynomial.H new file mode 100755 index 000000000..dbddd6ea9 --- /dev/null +++ b/src/thermophysicalModels/specie/thermo/realGasThermo/nasaHeatCapacityPolynomial/nasaHeatCapacityPolynomial.H @@ -0,0 +1,274 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +------------------------------------------------------------------------------- +License + This file is part of foam-extend. + + foam-extend is free software: you can redistribute it and/or modify it + under the terms of the GNU General Public License as published by the + Free Software Foundation, either version 3 of the License, or (at your + option) any later version. + + foam-extend is distributed in the hope that it will be useful, but + WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + General Public License for more details. + + You should have received a copy of the GNU General Public License + along with foam-extend. If not, see . + +Class + Foam::nasaHeatCapacityPolynomial + +Description + Nasa Heat Capacity Polynomial for perfect Gas (7.order polynominal) --> freely available for many fluids + --> paper title: NASA Glenn Coefficients for Calculating Thermodynamic Properties of Individual Species + + templated into the equationOfState + -> uses the equation of state to calculate all real Gas properties like Enthalpy, Entropy ... + -> can not be used with the perfectGas equation of state + + Equations for the real gas correction: Have a look at thermodnamics books + e.g. Thermodynamics: An Engineering Approch, 5 Edition, Chapter 12 + +SourceFiles + nasaHeatCapacityPolynomialI.H + nasaHeatCapacityPolynomial.C + +Author +Christian Lucas +Institut für Thermodynamik +Technische Universität Braunschweig +Germany + +\*---------------------------------------------------------------------------*/ + +#ifndef nasaHeatCapacityPolynomial_H +#define nasaHeatCapacityPolynomial_H + + + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +namespace Foam +{ + +// Forward declaration of friend functions and operators + +template class nasaHeatCapacityPolynomial; + +template +inline nasaHeatCapacityPolynomial operator+ +( + const nasaHeatCapacityPolynomial&, + const nasaHeatCapacityPolynomial& +); + +template +inline nasaHeatCapacityPolynomial operator- +( + const nasaHeatCapacityPolynomial&, + const nasaHeatCapacityPolynomial& +); + +template +inline nasaHeatCapacityPolynomial operator* +( + const scalar, + const nasaHeatCapacityPolynomial& +); + +template +inline nasaHeatCapacityPolynomial operator== +( + const nasaHeatCapacityPolynomial&, + const nasaHeatCapacityPolynomial& +); + +template +Ostream& operator<< +( + Ostream&, + const nasaHeatCapacityPolynomial& +); + + +/*---------------------------------------------------------------------------*\ + Class nasaHeatCapacityPolynomial Thermo Declaration +\*---------------------------------------------------------------------------*/ + +template +class nasaHeatCapacityPolynomial +: + public equationOfState +{ + // Private data + + scalar a1_; + scalar a2_; + scalar a3_; + scalar a4_; + scalar a5_; + scalar a6_; + scalar a7_; + scalar e0_std; + scalar s0_std; + scalar integral_p_dv_std; + scalar integral_dpdT_dv_std; + scalar cp_std; + + // Private member functions + + //- Construct from components + //CL: used for the operator+ + inline nasaHeatCapacityPolynomial + ( + const equationOfState& st, + const scalar a1, + const scalar a2, + const scalar a3, + const scalar a4, + const scalar a5, + const scalar a6, + const scalar a7 + ); + + //- Construct from components + //CL: used for the operator* + inline nasaHeatCapacityPolynomial + ( + const equationOfState& st, + const scalar a1, + const scalar a2, + const scalar a3, + const scalar a4, + const scalar a5, + const scalar a6, + const scalar a7, + const scalar e0_std_, + const scalar s0_std_, + const scalar integral_p_dv_std_, + const scalar integral_dpdT_dv_std_, + const scalar cp_std_ + ); + +public: + +//Variable + + // Constructors + //- Construct from Istream + nasaHeatCapacityPolynomial(Istream&); + + //- Construct from dictionary + nasaHeatCapacityPolynomial(const dictionary& dict); + + //- Construct as named copy + inline nasaHeatCapacityPolynomial(const word&, const nasaHeatCapacityPolynomial&); + + //- Construct and return a clone + inline autoPtr clone() const; + + //- Selector from Istream + inline static autoPtr New(Istream& is); + + // Member Functions + + //- perfect Gas Enthalpy [J/kmol] + inline scalar h0(const scalar T) const; + + //- perfect Gas Entropy [J/(kmol K)] + inline scalar s0(const scalar T) const; + + //- perfect Gas internal Energy [J/kmol] + inline scalar e0(const scalar T) const; + + //- perfect gas Heat capacity at constant pressure [J/(kmol K)] + inline scalar cv0(const scalar T) const; + + //- perfect gas Heat capacity at constant pressure [J/(kmol K)] + inline scalar cp0(const scalar T) const; + + //- Limited Heat capacity at constant pressure [J/(kmol K)] + inline scalar cp(const scalar rho, const scalar T) const; + + //- non Limited Heat capacity at constant pressure [J/(kmol K)] + inline scalar cp_nonLimited(const scalar rho, const scalar T) const; + + //- Heat capacity at constant pressure [J/(kmol K)] + inline scalar cv(const scalar rho, const scalar T) const; + + //- Enthalpy [J/kmol] + inline scalar h(const scalar rho, const scalar T) const; + + //- Entropy [J/(kmol K)] + inline scalar s(const scalar rho,const scalar T) const; + + //- Internal Energy [J/kmol] + inline scalar e(const scalar rho, const scalar T) const; + + + // Member operators + + inline void operator+=(const nasaHeatCapacityPolynomial&); + inline void operator-=(const nasaHeatCapacityPolynomial&); + + + // Friend operators + + friend nasaHeatCapacityPolynomial operator+ + ( + const nasaHeatCapacityPolynomial&, + const nasaHeatCapacityPolynomial& + ); + + friend nasaHeatCapacityPolynomial operator- + ( + const nasaHeatCapacityPolynomial&, + const nasaHeatCapacityPolynomial& + ); + + friend nasaHeatCapacityPolynomial operator* + ( + const scalar, + const nasaHeatCapacityPolynomial& + ); + + friend nasaHeatCapacityPolynomial operator== + ( + const nasaHeatCapacityPolynomial&, + const nasaHeatCapacityPolynomial& + ); + + + // IOstream Operators + + friend Ostream& operator<< + ( + Ostream&, + const nasaHeatCapacityPolynomial& + ); +}; + + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +} // End namespace Foam + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +#include "nasaHeatCapacityPolynomialI.H" + +#ifdef NoRepository +# include "nasaHeatCapacityPolynomial.C" +#endif + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +#endif + +// ************************************************************************* // diff --git a/src/thermophysicalModels/specie/thermo/realGasThermo/nasaHeatCapacityPolynomial/nasaHeatCapacityPolynomialI.H b/src/thermophysicalModels/specie/thermo/realGasThermo/nasaHeatCapacityPolynomial/nasaHeatCapacityPolynomialI.H new file mode 100755 index 000000000..3b7987a2c --- /dev/null +++ b/src/thermophysicalModels/specie/thermo/realGasThermo/nasaHeatCapacityPolynomial/nasaHeatCapacityPolynomialI.H @@ -0,0 +1,501 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +------------------------------------------------------------------------------- +License + This file is part of foam-extend. + + foam-extend is free software: you can redistribute it and/or modify it + under the terms of the GNU General Public License as published by the + Free Software Foundation, either version 3 of the License, or (at your + option) any later version. + + foam-extend is distributed in the hope that it will be useful, but + WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + General Public License for more details. + + You should have received a copy of the GNU General Public License + along with foam-extend. If not, see . + +Author +Christian Lucas +Institut für Thermodynamik +Technische Universität Braunschweig +Germany + +\*---------------------------------------------------------------------------*/ + +// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * // + +//- Construct from components +//CL: used for the operator+ +template +inline Foam::nasaHeatCapacityPolynomial::nasaHeatCapacityPolynomial +( + const equationOfState& st, + const scalar a1, + const scalar a2, + const scalar a3, + const scalar a4, + const scalar a5, + const scalar a6, + const scalar a7 +) +: + equationOfState(st), + a1_(a1), + a2_(a2), + a3_(a3), + a4_(a4), + a5_(a5), + a6_(a6), + a7_(a7), + e0_std(e0(this->Tstd)), + s0_std(s0(this->Tstd)), + integral_p_dv_std(this->integral_p_dv(this->rhostd(),this->Tstd)), + integral_dpdT_dv_std(this->integral_dpdT_dv(this->rhostd(),this->Tstd)), + cp_std(this->cp_nonLimited(this->rhostd(),this->Tstd)) +{} + + +//- Construct from components +//CL: used for the operator* +template +inline Foam::nasaHeatCapacityPolynomial::nasaHeatCapacityPolynomial +( + const equationOfState& st, + const scalar a1, + const scalar a2, + const scalar a3, + const scalar a4, + const scalar a5, + const scalar a6, + const scalar a7, + const scalar e0_std_, + const scalar s0_std_, + const scalar integral_p_dv_std_, + const scalar integral_dpdT_dv_std_, + const scalar cp_std_ +) +: + equationOfState(st), + a1_(a1), + a2_(a2), + a3_(a3), + a4_(a4), + a5_(a5), + a6_(a6), + a7_(a7), + e0_std(e0_std_), + s0_std(s0_std_), + integral_p_dv_std(integral_p_dv_std_), + integral_dpdT_dv_std(integral_dpdT_dv_std_), + cp_std(cp_std_) +{} + + +template +inline Foam::nasaHeatCapacityPolynomial::nasaHeatCapacityPolynomial +( + const word& name, + const nasaHeatCapacityPolynomial& np +) +: + equationOfState(name, np), + a1_(np.a1_), + a2_(np.a2_), + a3_(np.a3_), + a4_(np.a4_), + a5_(np.a5_), + a6_(np.a6_), + a7_(np.a7_), + e0_std(np.e0_std), + s0_std(np.s0_std), + integral_p_dv_std(np.integral_p_dv_std), + integral_dpdT_dv_std(np.integral_dpdT_dv_std), + cp_std(np.cp_std) +{} + + +template +inline Foam::autoPtr > +Foam::nasaHeatCapacityPolynomial::clone() const +{ + return autoPtr > + ( + new nasaHeatCapacityPolynomial(*this) + ); +} + + +template +inline Foam::autoPtr > +Foam::nasaHeatCapacityPolynomial::New(Istream& is) +{ + return autoPtr > + ( + new nasaHeatCapacityPolynomial(is) + ); +} + + + // * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * // + +//used to calculate the internal energy +//perfect gas enthalpy +template +inline Foam::scalar Foam::nasaHeatCapacityPolynomial::h0 +( + const scalar T +) const +{ + return + this->RR*T* + ( + -this->a1_*pow(T,-2) + +this->a2_*log(T)/T + +this->a3_ + +0.5*this->a4_*T + +(this->a5_*pow(T,2))/3 + +(this->a6_*pow(T,3))/4 + +(this->a7_*pow(T,4))/5 + ); +} + + +//used to calculate the internal energy +//perfect gas internal energy +template +inline Foam::scalar Foam::nasaHeatCapacityPolynomial::e0 +( + const scalar T +) const +{ + return this->h0(T) - this->RR*T; +} + + +// used to calculate the entropy +// perfect gas entropy +template +inline Foam::scalar Foam::nasaHeatCapacityPolynomial::s0 +( + const scalar T +) const +{ + return this->RR* + ( + this->a1_*(-1)/(2*pow(T,2)) + -this->a2_/T+this->a3_*log(T) + +this->a4_*T + +(this->a5_*pow(T,2))/2 + +(this->a6_*pow(T,3))/3 + +(this->a7_*pow(T,4))/4 + ); +} + + +//perfect gas cp +template +inline Foam::scalar Foam::nasaHeatCapacityPolynomial::cp0 +( + const scalar T +) const +{ + return this->RR* + ( + this->a1_*1/pow(T,2) + +this->a2_*1/T + +this->a3_ + +this->a4_*T + +this->a5_*pow(T,2) + +this->a6_*pow(T,3) + +this->a7_*pow(T,4) + ); +} + + +//perfect gas cv +template +inline Foam::scalar Foam::nasaHeatCapacityPolynomial::cv0 +( + const scalar T +) const +{ + + return this->cp0(T)-this->RR; +} + + +//function to calculate real gas cp +//using cp=cv+(dp/dT)^2/(dp/dv) +template +inline Foam::scalar Foam::nasaHeatCapacityPolynomial::cp +( + const scalar rho, + const scalar T +) const +{ + // Problem --> dpdv(rho,T) is =0 at some points within the vapour dome. To increase stability, (dp/dv) has to be limited + // cp can be negative within the vapor dome. To avoid this nonphysical result, the absolute value is used. + // within the vapourdome and at the critical point, cp increases to very high values --> infinity, + // this would decrease the stability, so cp will be limited to 20 times the cp @ STD + return + min + ( + cp_std*20, + fabs + ( + this->cv(rho,T) + -T*pow((this->dpdT(rho, T)),2) + /min(this->dpdv(rho, T),-1) + ) + ); +} + + +// this function is needed to get cp @ STD (without the limit imposed in the function above), +// which in turn is needed to limit the cp in the function above +template +inline Foam::scalar Foam::nasaHeatCapacityPolynomial::cp_nonLimited +( + const scalar rho, + const scalar T +) const +{ + return fabs(this->cv(rho,T)-T*pow((this->dpdT(rho, T)),2)/min(this->dpdv(rho, T),-1)); +} + + +//function to calculate real gas cv +//cv=cv0+T*integral d2p/dT2 dv +template +inline Foam::scalar Foam::nasaHeatCapacityPolynomial::cv +( + const scalar rho, + const scalar T + +) const +{ + return this->cv0(T)+T*this->integral_d2pdT2_dv(rho, T); +} + + +//function to calculate real gas enthalpy +template +inline Foam::scalar Foam::nasaHeatCapacityPolynomial::h +( + const scalar rho, + const scalar T +) const +{ + return this->e(rho,T)+this->p(rho,T)/rho*this->W()-this->Pstd/this->rhostd()*this->W(); +} + + +// function to calculate real gas internal energy +// important assumption used: internal Energie is 0 at STD conditions. +// equation: du= cv0 dT +[T*dp/dT -p]dv +template +inline Foam::scalar Foam::nasaHeatCapacityPolynomial::e +( + const scalar rho, + const scalar T +) const +{ + return + ( + -this->Tstd*integral_dpdT_dv_std + +integral_p_dv_std + +this->e0(T)-e0_std + +T*this->integral_dpdT_dv(rho,T) + -this->integral_p_dv(rho,T) + ); +} + + +//function to calculate real gas entropy +// important assumption used: the Entropy is 0 at STD conditions. +// equation: ds= cv0/T * dT + dp/dT *dv +// --> integral cv0/T dT = s0(T) -s0(Tstd) - R*ln(T/Tstd) --> due to s0(T)-s0(Tstd)=integral cp0/T dT +template +inline Foam::scalar Foam::nasaHeatCapacityPolynomial::s +( + const scalar rho, + const scalar T + +) const +{ + return -integral_dpdT_dv_std + +(this->s0(T)-s0_std) + -this->RR*log(T/this->Tstd) + + this->integral_dpdT_dv(rho,T); +} + + +// * * * * * * * * * * * * * * * Member Operators * * * * * * * * * * * * * // + +template +inline void Foam::nasaHeatCapacityPolynomial::operator+= +( + const nasaHeatCapacityPolynomial& np +) +{ + + scalar molr1 = this->nMoles(); + + equationOfState::operator+=(np); + + molr1 /= this->nMoles(); + scalar molr2 = np.nMoles()/this->nMoles(); + + a1_ = molr1*a1_ + molr2*np.a1_; + a2_ = molr1*a2_ + molr2*np.a2_; + a3_ = molr1*a3_ + molr2*np.a3_; + a4_ = molr1*a4_ + molr2*np.a4_; + a5_ = molr1*a5_ + molr2*np.a5_; + a6_ = molr1*a6_ + molr2*np.a6_; + a7_ = molr1*a7_ + molr2*np.a7_; +} + + +template +inline void Foam::nasaHeatCapacityPolynomial::operator-= +( + const nasaHeatCapacityPolynomial& np +) +{ + scalar molr1 = this->nMoles(); + + nasaHeatCapacityPolynomial::operator-=(np); + + molr1 /= this->nMoles(); + scalar molr2 = np.nMoles()/this->nMoles(); + + a1_ = molr1*a1_ - molr2*np.a1_; + a2_ = molr1*a2_ - molr2*np.a2_; + a3_ = molr1*a3_ - molr2*np.a3_; + a4_ = molr1*a4_ - molr2*np.a4_; + a5_ = molr1*a5_ - molr2*np.a5_; + a6_ = molr1*a6_ - molr2*np.a6_; + a7_ = molr1*a7_ - molr2*np.a7_; +} + + +// * * * * * * * * * * * * * * * Friend Operators * * * * * * * * * * * * * // + +template +inline Foam::nasaHeatCapacityPolynomial Foam::operator+ +( + const nasaHeatCapacityPolynomial& np1, + const nasaHeatCapacityPolynomial& np2 +) +{ + equationOfState eofs + ( + static_cast(np1) + + static_cast(np2) + ); + + //CL: Important, calls a different constructor as operator* + //CL: the coefficients as well as the EOS (coefficients) changed + //CL: therefore, the values at STD needs to be recalculated + return nasaHeatCapacityPolynomial + ( + eofs, + np1.nMoles()/eofs.nMoles()*np1.a1_ + + np2.nMoles()/eofs.nMoles()*np2.a1_, + np1.nMoles()/eofs.nMoles()*np1.a2_ + + np2.nMoles()/eofs.nMoles()*np2.a2_, + np1.nMoles()/eofs.nMoles()*np1.a3_ + + np2.nMoles()/eofs.nMoles()*np2.a3_, + np1.nMoles()/eofs.nMoles()*np1.a4_ + + np2.nMoles()/eofs.nMoles()*np2.a4_, + np1.nMoles()/eofs.nMoles()*np1.a5_ + + np2.nMoles()/eofs.nMoles()*np2.a5_, + np1.nMoles()/eofs.nMoles()*np1.a6_ + + np2.nMoles()/eofs.nMoles()*np2.a6_, + np1.nMoles()/eofs.nMoles()*np1.a7_ + + np2.nMoles()/eofs.nMoles()*np2.a7_ + ); +} + + +template +inline Foam::nasaHeatCapacityPolynomial Foam::operator- +( + const nasaHeatCapacityPolynomial& np1, + const nasaHeatCapacityPolynomial& np2 +) +{ + equationOfState eofs + ( + static_cast(np1) + - static_cast(np2) + ); + + return nasaHeatCapacityPolynomial + ( + eofs, + np1.nMoles()/eofs.nMoles()*np1.a1_ + - np2.nMoles()/eofs.nMoles()*np2.a1_, + np1.nMoles()/eofs.nMoles()*np1.a2_ + - np2.nMoles()/eofs.nMoles()*np2.a2_, + np1.nMoles()/eofs.nMoles()*np1.a3_ + - np2.nMoles()/eofs.nMoles()*np2.a3_, + np1.nMoles()/eofs.nMoles()*np1.a4_ + - np2.nMoles()/eofs.nMoles()*np2.a4_, + np1.nMoles()/eofs.nMoles()*np1.a5_ + - np2.nMoles()/eofs.nMoles()*np2.a5_, + np1.nMoles()/eofs.nMoles()*np1.a6_ + - np2.nMoles()/eofs.nMoles()*np2.a6_, + np1.nMoles()/eofs.nMoles()*np1.a7_ + - np2.nMoles()/eofs.nMoles()*np2.a7_ + ); +} + + +template +inline Foam::nasaHeatCapacityPolynomial Foam::operator* +( + const scalar s, + const nasaHeatCapacityPolynomial& np +) +{ + //CL: values at STD don't need to be recalculated, + //CL: therefore, providing the values in the constructor + return nasaHeatCapacityPolynomial + ( + s*static_cast(np), + np.a1_, + np.a2_, + np.a3_, + np.a4_, + np.a5_, + np.a6_, + np.a7_, + np.e0_std, + np.s0_std, + np.integral_p_dv_std, + np.integral_dpdT_dv_std, + np.cp_std + ); +} + + +template +inline Foam::nasaHeatCapacityPolynomial Foam::operator== +( + const nasaHeatCapacityPolynomial& np1, + const nasaHeatCapacityPolynomial& np2 +) +{ + return np2 - np1; +} + + +// ************************************************************************* // diff --git a/src/thermophysicalModels/specie/thermo/realGasThermo/realGasSpecieThermo/realGasSpecieThermo.C b/src/thermophysicalModels/specie/thermo/realGasThermo/realGasSpecieThermo/realGasSpecieThermo.C new file mode 100755 index 000000000..deca62146 --- /dev/null +++ b/src/thermophysicalModels/specie/thermo/realGasThermo/realGasSpecieThermo/realGasSpecieThermo.C @@ -0,0 +1,63 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +------------------------------------------------------------------------------- +License + This file is part of foam-extend. + + foam-extend is free software: you can redistribute it and/or modify it + under the terms of the GNU General Public License as published by the + Free Software Foundation, either version 3 of the License, or (at your + option) any later version. + + foam-extend is distributed in the hope that it will be useful, but + WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + General Public License for more details. + + You should have received a copy of the GNU General Public License + along with foam-extend. If not, see . + +\*---------------------------------------------------------------------------*/ + +#include "realGasSpecieThermo.H" +#include "IOstreams.H" + +/* * * * * * * * * * * * * * * private static data * * * * * * * * * * * * * */ + +template +const Foam::scalar Foam::realGasSpecieThermo::tol_ = 1.0e-9; + +template +const int Foam::realGasSpecieThermo::maxIter_ = 500; + + +// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * // + +template +Foam::realGasSpecieThermo::realGasSpecieThermo(Istream& is) +: + thermo(is) +{ + is.check("realGasSpecieThermo::realGasSpecieThermo(Istream& is)"); + + +} + + +// * * * * * * * * * * * * * * * Ostream Operator * * * * * * * * * * * * * // + +template +Foam::Ostream& Foam::operator<<(Ostream& os, const realGasSpecieThermo& st) +{ + os << static_cast(st); + + os.check("Ostream& operator<<(Ostream& os, const realGasSpecieThermo& st)"); + return os; +} + + +// ************************************************************************* // diff --git a/src/thermophysicalModels/specie/thermo/realGasThermo/realGasSpecieThermo/realGasSpecieThermo.H b/src/thermophysicalModels/specie/thermo/realGasThermo/realGasSpecieThermo/realGasSpecieThermo.H new file mode 100755 index 000000000..3529ba8a9 --- /dev/null +++ b/src/thermophysicalModels/specie/thermo/realGasThermo/realGasSpecieThermo/realGasSpecieThermo.H @@ -0,0 +1,276 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +------------------------------------------------------------------------------- +License + This file is part of foam-extend. + + foam-extend is free software: you can redistribute it and/or modify it + under the terms of the GNU General Public License as published by the + Free Software Foundation, either version 3 of the License, or (at your + option) any later version. + + foam-extend is distributed in the hope that it will be useful, but + WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + General Public License for more details. + + You should have received a copy of the GNU General Public License + along with foam-extend. If not, see . + +Class + Foam::realGasSpecieThermo + +Description + + This is an subversion of the specieThermo function. While the "orginal" specieThermo function + is only valid for perfect gases, this function is valid for real gases. + + Basic thermodynamics type based on the use of fitting functions for + cp, h, s obtained from the template argument type thermo. All other + properties are derived from these primitive functions. + +SourceFiles + realGasSpecieThermoI.H + realGasSpecieThermo.C + +\*---------------------------------------------------------------------------*/ + +#ifndef realGasSpecieThermo_H +#define realGasSpecieThermo_H + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +namespace Foam +{ + +// Forward declaration of friend functions and operators + +template class realGasSpecieThermo; + +template +inline realGasSpecieThermo operator+ +( + const realGasSpecieThermo&, + const realGasSpecieThermo& +); + +template +inline realGasSpecieThermo operator- +( + const realGasSpecieThermo&, + const realGasSpecieThermo& +); + +template +inline realGasSpecieThermo operator* +( + const scalar, + const realGasSpecieThermo& +); + +template +inline realGasSpecieThermo operator== +( + const realGasSpecieThermo&, + const realGasSpecieThermo& +); + +template +Ostream& operator<< +( + Ostream&, + const realGasSpecieThermo& +); + + +/*---------------------------------------------------------------------------*\ + Class realGasSpecieThermo Declaration +\*---------------------------------------------------------------------------*/ + +template +class realGasSpecieThermo +: + public thermo +{ + // Private data + + //- Convergence tolerance of energy -> temperature inversion functions + static const scalar tol_; + + //- Max number of iterations in energy->temperature inversion functions + static const int maxIter_; + + + // Private member functions + + // return the temperature corresponding to the value of the + // thermodynamic property f, given the function f = F(rho,T) and dF(rho,T)/dT + inline void T + ( + scalar f, + scalar &T0, + scalar p, + scalar &rho0, + scalar (realGasSpecieThermo::*F)(const scalar,const scalar) const, + scalar (realGasSpecieThermo::*dFdT)(const scalar,const scalar) const + ) const; + +public: + + // Constructors + + //- construct from components + inline realGasSpecieThermo(const thermo& sp); + + //- Construct from Istream + realGasSpecieThermo(Istream&); + + //- Construct as named copy + inline realGasSpecieThermo(const word& name, const realGasSpecieThermo&); + + + // Member Functions + + // Fundamaental properties + // (These functions must be provided in derived types) + + // Sensible enthalpy [J/kmol] + //virtual scalar hs(const scalar) const; + + // Chemical enthalpy [J/kmol] + //virtual scalar hc(const scalar) const; + + // Calculate and return derived properties + // (These functions need not provided in derived types) + + //CL: isentropic expansion factor "gamma" (heat capacity ratio for perfect gas) + inline scalar gamma(const scalar T, const scalar rho) const; + + //- Sensible internal energy [J/kmol] + // inline scalar es(const scalar p, const scalar rho) const; + + //- Gibbs free energy [J/kmol] + inline scalar g(const scalar rho, const scalar T ) const; + + //- Helmholtz free energy [J/kmol] + inline scalar a(const scalar rho, const scalar T ) const; + + + // Mass specific properties + + //- Heat capacity at constant pressure [J/(kg K)] + inline scalar Cp(const scalar rho, const scalar T) const; + + //- Heat capacity at constant volume [J/(kg K)] + inline scalar Cv(const scalar rho, const scalar T) const; + + //- Enthalpy [J/kg] + inline scalar H(const scalar rho, const scalar T) const; + + //- Sensible enthalpy [J/kg] + // inline scalar Hs(const scalar T) const; + + //- Chemical enthalpy [J/kg] + // inline scalar Hc() const; + + //- Entropy [J/(kg K)] + inline scalar S(const scalar rho, const scalar T) const; + + //- Internal energy [J/kg] + inline scalar E(const scalar rho, const scalar T) const; + + //- Gibbs free energy [J/kg] + inline scalar G(const scalar rho, const scalar T) const; + + //- Helmholtz free energy [J/kg] + inline scalar A(const scalar rho, const scalar T) const; + + //CL: Other variables + + //- Return compressibility drho/dp at h=constant [s^2/m^2] + inline scalar psiH(const scalar rho, const scalar T) const; + + //- Return compressibility drho/dp at e=constant [s^2/m^2] + inline scalar psiE(const scalar rho, const scalar T) const; + + //- Return compressibility drho/dH at p=constant + inline scalar drhodH(const scalar rho, const scalar T) const; + + //- Return compressibility drho/dE at p=constant + inline scalar drhodE(const scalar rho, const scalar T) const; + + + // Energy->temperature inversion functions + + //- Temperature from Enthalpy given an initial temperature T0 + inline void TH(const scalar H, scalar &T0,const scalar p, scalar &psi0) const; + + //- Temperature from internal energy given an initial temperature T0 + inline void TE(const scalar E, scalar &T0,const scalar p, scalar &psi0) const; + + + // Member operators + + inline void operator+=(const realGasSpecieThermo&); + inline void operator-=(const realGasSpecieThermo&); + inline void operator*=(const scalar); + + + // Friend operators + + friend realGasSpecieThermo operator+ + ( + const realGasSpecieThermo&, + const realGasSpecieThermo& + ); + + friend realGasSpecieThermo operator- + ( + const realGasSpecieThermo&, + const realGasSpecieThermo& + ); + + friend realGasSpecieThermo operator* + ( + const scalar s, + const realGasSpecieThermo& + ); + + friend realGasSpecieThermo operator== + ( + const realGasSpecieThermo&, + const realGasSpecieThermo& + ); + + + // Ostream Operator + + friend Ostream& operator<< + ( + Ostream&, + const realGasSpecieThermo& + ); +}; + + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +} // End namespace Foam + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +#include "realGasSpecieThermoI.H" + +#ifdef NoRepository +# include "realGasSpecieThermo.C" +#endif + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +#endif + +// ************************************************************************* // diff --git a/src/thermophysicalModels/specie/thermo/realGasThermo/realGasSpecieThermo/realGasSpecieThermoI.H b/src/thermophysicalModels/specie/thermo/realGasThermo/realGasSpecieThermo/realGasSpecieThermoI.H new file mode 100755 index 000000000..6b0077d5e --- /dev/null +++ b/src/thermophysicalModels/specie/thermo/realGasThermo/realGasSpecieThermo/realGasSpecieThermoI.H @@ -0,0 +1,382 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +------------------------------------------------------------------------------- +License + This file is part of foam-extend. + + foam-extend is free software: you can redistribute it and/or modify it + under the terms of the GNU General Public License as published by the + Free Software Foundation, either version 3 of the License, or (at your + option) any later version. + + foam-extend is distributed in the hope that it will be useful, but + WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + General Public License for more details. + + You should have received a copy of the GNU General Public License + along with foam-extend. If not, see . + +\*---------------------------------------------------------------------------*/ + +#include "realGasSpecieThermo.H" + +template +inline Foam::realGasSpecieThermo::realGasSpecieThermo +( + const thermo& sp +) +: + thermo(sp) +{} + +// * * * * * * * * * * * * * Private Member Functions * * * * * * * * * * * // + + +//CL: using two one dimensional newton solvers in a row +template +inline void Foam::realGasSpecieThermo::T +( + scalar f, + scalar &T0, + scalar p, + scalar &rho0, + scalar (realGasSpecieThermo::*F)(const scalar,const scalar) const, + scalar (realGasSpecieThermo::*dFdT)(const scalar,const scalar) const +) const +{ + scalar Test ; + scalar Tnew = T0; + scalar rhoOld; + scalar rho=rho0; + scalar Ttol = T0*tol_; + scalar rhotol=rho0*tol_; + label iter = 0; + label i; + + do + { + Test = Tnew; + rhoOld=rho; + rho=this->rho(p,Test,rhoOld); + i=0; + do + { + //CL: using a stabilizing newton solver + //CL: if the solve is diverging, the step is reduced until the solver converges + Tnew = Test - ((this->*F)(rho,Test) - f)/(this->*dFdT)(rho,Test)/(pow(2,i)); + i++; + }while + ( + (i<20) + && + (( + mag((this->*F)(rho,Tnew) - f) + > + mag((this->*F)(rho,Test) - f) + )) + ); + + if (iter++ > maxIter_) + { + FatalErrorIn + ( + "realGasSpecieThermo::T(scalar f, scalar T0, scalar p, scalar rho0, " + "scalar (realGasSpecieThermo::*F)(const scalar) const, " + "scalar (realGasSpecieThermo::*dFdT)(const scalar) const" + ") const" + ) << "Maximum number of iterations exceeded" + << abort(FatalError); + } + } while + //CL: both fields must converge + ( + (mag(mag(Tnew) - mag(Test)) > Ttol) + || + (mag(mag(rho) - mag(rhoOld)) > rhotol) + ); + + rho0=rho; + T0=Tnew; +} + + +// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * // + +template +inline Foam::realGasSpecieThermo::realGasSpecieThermo +( + const word& name, + const realGasSpecieThermo& st +) +: + thermo(name, st) +{} + + +// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * // + +template +inline Foam::scalar Foam::realGasSpecieThermo::gamma(const scalar rho, const scalar T ) const +{ + return -1/(rho*this->p(rho,T))*this->cp(rho,T)/this->cv(rho,T)*this->dpdv(rho,T); +} + + +template +inline Foam::scalar Foam::realGasSpecieThermo::g(const scalar rho, const scalar T ) const +{ + return this->h(rho, T) - T*this->s(rho, T); +} + + +template +inline Foam::scalar Foam::realGasSpecieThermo::a(const scalar rho, const scalar T ) const +{ + return this->e(rho,T ) - T*this->s(rho, T); +} + + +template +inline Foam::scalar Foam::realGasSpecieThermo::Cp( const scalar rho, const scalar T) const +{ + return this->cp(rho, T)/this->W(); +} + + +template +inline Foam::scalar Foam::realGasSpecieThermo::Cv( const scalar rho, const scalar T) const +{ + return this->cv(rho, T)/this->W(); +} + + +template +inline Foam::scalar Foam::realGasSpecieThermo::H(const scalar rho, const scalar T) const +{ + return this->h(rho, T)/this->W(); +} + + +template +inline Foam::scalar Foam::realGasSpecieThermo::S(const scalar rho, const scalar T) const +{ + return this->s(rho, T)/this->W(); +} + + +template +inline Foam::scalar Foam::realGasSpecieThermo::E(const scalar rho, const scalar T) const +{ + return this->e(rho, T)/this->W(); +} + + +template +inline Foam::scalar Foam::realGasSpecieThermo::G(const scalar rho, const scalar T) const +{ + return this->g(rho, T)/this->W(); +} + + +template +inline Foam::scalar Foam::realGasSpecieThermo::A(const scalar rho, const scalar T) const +{ + return this->a(rho, T)/this->W(); +} + + +//CL:- Return compressibility drho/dp at h=constant [s^2/m^2] +//CL:- using Bridgeman's Table +template +inline Foam::scalar Foam::realGasSpecieThermo::psiH +( + const scalar rho, + const scalar T + +) const +{ + scalar beta=this->isobarExpCoef(rho,T); + + return + -( + (T*beta*beta-beta)/this->Cp(rho,T) + -this->isothermalCompressiblity(rho,T)*rho + ); +} + + +//CL:- Return compressibility drho/dp at e=constant [s^2/m^2] +//CL:- using Bridgeman's Table +template +inline Foam::scalar Foam::realGasSpecieThermo::psiE +( + const scalar rho, + const scalar T + +) const +{ + scalar V = 1/rho; + scalar cp=this->Cp(rho,T); + scalar beta=this->isobarExpCoef(rho,T); + + return + -( + ( + T*pow(beta,2)*V + -this->isothermalCompressiblity(rho,T)*cp + ) + / + ( + cp*V + -beta*this->p(rho,T)*pow(V,2) + ) + ); +} + + +//CL:- Returns drho/dH at p=constant +//CL:- using Bridgeman's Table +template +inline Foam::scalar Foam::realGasSpecieThermo::drhodH +( + const scalar rho, + const scalar T + +) const +{ + return -(rho*this->isobarExpCoef(rho,T))/this->Cp(rho,T); +} + + +//CL:- Returns drho/dE at p=constant +//CL:- using Bridgeman's Table +template +inline Foam::scalar Foam::realGasSpecieThermo::drhodE +( + const scalar rho, + const scalar T + +) const +{ + scalar beta=this->isobarExpCoef(rho,T); + + return -(rho*beta)/(this->Cp(rho,T)-beta*this->p(rho,T)/rho); +} + + +template +inline void Foam::realGasSpecieThermo::TH +( + const scalar h, + scalar &T0, + const scalar p, + scalar &rho0 +) const +{ + T(h, T0, p,rho0, &realGasSpecieThermo::H, &realGasSpecieThermo::Cp); +} + + +template +inline void Foam::realGasSpecieThermo::TE +( + const scalar e, + scalar &T0, + const scalar p, + scalar &rho0 +) const +{ + T(e, T0, p,rho0, &realGasSpecieThermo::E, &realGasSpecieThermo::Cv); +} + + +// * * * * * * * * * * * * * * * Member Operators * * * * * * * * * * * * * // + +template +inline void Foam::realGasSpecieThermo::operator+= +( + const realGasSpecieThermo& st +) +{ + thermo::operator+=(st); +} + + +template +inline void Foam::realGasSpecieThermo::operator-= +( + const realGasSpecieThermo& st +) +{ + thermo::operator-=(st); +} + + +template +inline void Foam::realGasSpecieThermo::operator*=(const scalar s) +{ + thermo::operator*=(s); +} + + +// * * * * * * * * * * * * * * * Friend Operators * * * * * * * * * * * * * // + +template +inline Foam::realGasSpecieThermo Foam::operator+ +( + const realGasSpecieThermo& st1, + const realGasSpecieThermo& st2 +) +{ + return realGasSpecieThermo + ( + static_cast(st1) + static_cast(st2) + ); +} + + +template +inline Foam::realGasSpecieThermo Foam::operator- +( + const realGasSpecieThermo& st1, + const realGasSpecieThermo& st2 +) +{ + return realGasSpecieThermo + ( + static_cast(st1) - static_cast(st2) + ); +} + + +template +inline Foam::realGasSpecieThermo Foam::operator* +( + const scalar s, + const realGasSpecieThermo& st +) +{ + return realGasSpecieThermo + ( + s*static_cast(st) + ); +} + + +template +inline Foam::realGasSpecieThermo Foam::operator== +( + const realGasSpecieThermo& st1, + const realGasSpecieThermo& st2 +) +{ + return st2 - st1; +} + + +// ************************************************************************* // diff --git a/src/thermophysicalModels/specie/transport/constRealGas/constRealGasTransport.C b/src/thermophysicalModels/specie/transport/constRealGas/constRealGasTransport.C new file mode 100644 index 000000000..1892116c0 --- /dev/null +++ b/src/thermophysicalModels/specie/transport/constRealGas/constRealGasTransport.C @@ -0,0 +1,56 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +------------------------------------------------------------------------------- +License + This file is part of foam-extend. + + foam-extend is free software: you can redistribute it and/or modify it + under the terms of the GNU General Public License as published by the + Free Software Foundation, either version 3 of the License, or (at your + option) any later version. + + foam-extend is distributed in the hope that it will be useful, but + WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + General Public License for more details. + + You should have received a copy of the GNU General Public License + along with foam-extend. If not, see . + +\*---------------------------------------------------------------------------*/ + +#include "constRealGasTransport.H" +#include "IOstreams.H" + +// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * // + +template +Foam::constRealGasTransport::constRealGasTransport(Istream& is) +: + Thermo(is), + mu_(readScalar(is)), + rPr_(1.0/readScalar(is)) +{ + is.check("constRealGasTransport::constRealGasTransport(Istream& is)"); +} + + +// * * * * * * * * * * * * * * * IOstream Operators * * * * * * * * * * * * // + +template +Foam::Ostream& Foam::operator<<(Ostream& os, const constRealGasTransport& ct) +{ + operator<<(os, static_cast(ct)); + os << tab << ct.mu_ << tab << 1.0/ct.rPr_; + + os.check("Ostream& operator<<(Ostream&, const constRealGasTransport&)"); + + return os; +} + + +// ************************************************************************* // diff --git a/src/thermophysicalModels/specie/transport/constRealGas/constRealGasTransport.H b/src/thermophysicalModels/specie/transport/constRealGas/constRealGasTransport.H new file mode 100644 index 000000000..7b73a4df1 --- /dev/null +++ b/src/thermophysicalModels/specie/transport/constRealGas/constRealGasTransport.H @@ -0,0 +1,202 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +------------------------------------------------------------------------------- +License + This file is part of foam-extend. + + foam-extend is free software: you can redistribute it and/or modify it + under the terms of the GNU General Public License as published by the + Free Software Foundation, either version 3 of the License, or (at your + option) any later version. + + foam-extend is distributed in the hope that it will be useful, but + WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + General Public License for more details. + + You should have received a copy of the GNU General Public License + along with foam-extend. If not, see . + +Class + Foam::constRealGasTransport + +Description + Constant properties Transport package. + Templated into a given thermodynamics package (needed for thermal + conductivity). + +SourceFiles + constRealGasTransportI.H + constRealGasTransport.C + +\*---------------------------------------------------------------------------*/ + +#ifndef constRealGasTransport_H +#define constRealGasTransport_H + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +namespace Foam +{ + +// Forward declaration of friend functions and operators + +template class constRealGasTransport; + +template +inline constRealGasTransport operator+ +( + const constRealGasTransport&, + const constRealGasTransport& +); + +template +inline constRealGasTransport operator- +( + const constRealGasTransport&, + const constRealGasTransport& +); + +template +inline constRealGasTransport operator* +( + const scalar, + const constRealGasTransport& +); + +template +inline constRealGasTransport operator== +( + const constRealGasTransport&, + const constRealGasTransport& +); + +template +Ostream& operator<< +( + Ostream&, + const constRealGasTransport& +); + + +/*---------------------------------------------------------------------------*\ + Class constRealGasTransport Declaration +\*---------------------------------------------------------------------------*/ + +template +class constRealGasTransport +: + public Thermo +{ + // Private data + + //- Constant dynamic viscosity [Pa.s] + scalar mu_; + + //- Reciprocal Prandtl Number [] + scalar rPr_; + + + // Private Member Functions + + //- Construct from components + inline constRealGasTransport + ( + const Thermo& t, + const scalar mu, + const scalar Pr + ); + + +public: + + // Constructors + + //- Construct as named copy + inline constRealGasTransport(const word&, const constRealGasTransport&); + + //- Construct from Istream + constRealGasTransport(Istream&); + + + // Member functions + + //- Dynamic viscosity [kg/ms] + inline scalar mu(const scalar T) const; + + //- Thermal conductivity [W/mK] + inline scalar kappa(const scalar rho, const scalar T) const; + + //- Thermal diffusivity for enthalpy [kg/ms] + inline scalar alpha(const scalar rho, const scalar T) const; + + // Species diffusivity + //inline scalar D(const scalar T) const; + + + // Member operators + + inline constRealGasTransport& operator= + ( + const constRealGasTransport& + ); + + + // Friend operators + + friend constRealGasTransport operator+ + ( + const constRealGasTransport&, + const constRealGasTransport& + ); + + friend constRealGasTransport operator- + ( + const constRealGasTransport&, + const constRealGasTransport& + ); + + friend constRealGasTransport operator* + ( + const scalar, + const constRealGasTransport& + ); + + friend constRealGasTransport operator== + ( + const constRealGasTransport&, + const constRealGasTransport& + ); + + + // Ostream Operator + + friend Ostream& operator<< + ( + Ostream&, + const constRealGasTransport& + ); +}; + + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +} // End namespace Foam + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +#include "constRealGasTransportI.H" + +#ifdef NoRepository +# include "constRealGasTransport.C" +#endif + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +#endif + +// ************************************************************************* // diff --git a/src/thermophysicalModels/specie/transport/constRealGas/constRealGasTransportI.H b/src/thermophysicalModels/specie/transport/constRealGas/constRealGasTransportI.H new file mode 100644 index 000000000..9a0a5b9a0 --- /dev/null +++ b/src/thermophysicalModels/specie/transport/constRealGas/constRealGasTransportI.H @@ -0,0 +1,182 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +------------------------------------------------------------------------------- +License + This file is part of foam-extend. + + foam-extend is free software: you can redistribute it and/or modify it + under the terms of the GNU General Public License as published by the + Free Software Foundation, either version 3 of the License, or (at your + option) any later version. + + foam-extend is distributed in the hope that it will be useful, but + WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + General Public License for more details. + + You should have received a copy of the GNU General Public License + along with foam-extend. If not, see . + +\*---------------------------------------------------------------------------*/ + +// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * // + +template +inline Foam::constRealGasTransport::constRealGasTransport +( + const Thermo& t, + const scalar mu, + const scalar Pr +) +: + Thermo(t), + mu_(mu), + rPr_(1.0/Pr) +{} + + +template +inline Foam::constRealGasTransport::constRealGasTransport +( + const word& name, + const constRealGasTransport& ct +) +: + Thermo(name, ct), + mu_(ct.mu_), + rPr_(ct.rPr_) +{} + + +// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * // + +template +inline Foam::scalar Foam::constRealGasTransport::mu(const scalar) const +{ + return mu_; +} + + +// CL: for real gas thermo +// Thermal conductivity [W/mK] +template +inline Foam::scalar Foam::constRealGasTransport::kappa(const scalar rho,const scalar T) const +{ + return this->Cp(rho,T)*mu(T)*rPr_; +} + + +// CL: for real gas thermo +// Thermal diffusivity for enthalpy [kg/ms] +template +inline Foam::scalar Foam::constRealGasTransport::alpha(const scalar rho,const scalar T) const +{ + scalar Cp_ = this->Cp(rho,T); + + scalar deltaT = T - specie::Tstd; + scalar CpBar = + (deltaT*(this->H(rho,T) - this->H(this->rhostd(),specie::Tstd)) + Cp_)/(sqr(deltaT) + 1); + + return Cp_*mu(T)*rPr_/CpBar; +} + + +// * * * * * * * * * * * * * * * Member Operators * * * * * * * * * * * * * // + +template +inline Foam::constRealGasTransport& Foam::constRealGasTransport::operator= +( + const constRealGasTransport& ct +) +{ + Thermo::operator=(ct); + + mu_ = ct.mu_; + rPr_ = ct.rPr_; + + return *this; +} + + +// * * * * * * * * * * * * * * * Friend Operators * * * * * * * * * * * * * // + +template +inline Foam::constRealGasTransport Foam::operator+ +( + const constRealGasTransport& ct1, + const constRealGasTransport& ct2 +) +{ + Thermo t + ( + static_cast(ct1) + static_cast(ct2) + ); + + scalar molr1 = ct1.nMoles()/t.nMoles(); + scalar molr2 = ct2.nMoles()/t.nMoles(); + + return constRealGasTransport + ( + t, + molr1*ct1.mu_ + molr2*ct2.mu_, + molr1*ct1.rPr_ + molr2*ct2.rPr_ + ); +} + + +template +inline Foam::constRealGasTransport Foam::operator- +( + const constRealGasTransport& ct1, + const constRealGasTransport& ct2 +) +{ + Thermo t + ( + static_cast(ct1) - static_cast(ct2) + ); + + scalar molr1 = ct1.nMoles()/t.nMoles(); + scalar molr2 = ct2.nMoles()/t.nMoles(); + + return constRealGasTransport + ( + t, + molr1*ct1.mu_ - molr2*ct2.mu_, + molr1*ct1.rPr_ - molr2*ct2.rPr_ + ); +} + + +template +inline Foam::constRealGasTransport Foam::operator* +( + const scalar s, + const constRealGasTransport& ct +) +{ + return constRealGasTransport + ( + s*static_cast(ct), + ct.mu_, + ct.rPr_ + ); +} + + +template +inline Foam::constRealGasTransport Foam::operator== +( + const constRealGasTransport& ct1, + const constRealGasTransport& ct2 +) +{ + return ct2 - ct1; +} + + +// ************************************************************************* // diff --git a/src/thermophysicalModels/specie/transport/sutherlandRealGas/sutherlandRealGasTransport.C b/src/thermophysicalModels/specie/transport/sutherlandRealGas/sutherlandRealGasTransport.C new file mode 100644 index 000000000..56ccc9138 --- /dev/null +++ b/src/thermophysicalModels/specie/transport/sutherlandRealGas/sutherlandRealGasTransport.C @@ -0,0 +1,62 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +------------------------------------------------------------------------------- +License + This file is part of foam-extend. + + foam-extend is free software: you can redistribute it and/or modify it + under the terms of the GNU General Public License as published by the + Free Software Foundation, either version 3 of the License, or (at your + option) any later version. + + foam-extend is distributed in the hope that it will be useful, but + WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + General Public License for more details. + + You should have received a copy of the GNU General Public License + along with foam-extend. If not, see . + +\*---------------------------------------------------------------------------*/ + +#include "sutherlandRealGasTransport.H" +#include "IOstreams.H" + +// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * // + +template +Foam::sutherlandRealGasTransport::sutherlandRealGasTransport(Istream& is) +: + Thermo(is), + As_(readScalar(is)), + Ts_(readScalar(is)) +{ + is.check("sutherlandRealGasTransport::sutherlandRealGasTransport(Istream&)"); +} + + +// * * * * * * * * * * * * * * * IOstream Operators * * * * * * * * * * * * // + +template +Foam::Ostream& Foam::operator<< +( + Ostream& os, + const sutherlandRealGasTransport& st +) +{ + os << static_cast(st) << tab << st.As_ << tab << st.Ts_; + + os.check + ( + "Ostream& operator<<(Ostream&, const sutherlandRealGasTransport&)" + ); + + return os; +} + + +// ************************************************************************* // diff --git a/src/thermophysicalModels/specie/transport/sutherlandRealGas/sutherlandRealGasTransport.H b/src/thermophysicalModels/specie/transport/sutherlandRealGas/sutherlandRealGasTransport.H new file mode 100644 index 000000000..861a06328 --- /dev/null +++ b/src/thermophysicalModels/specie/transport/sutherlandRealGas/sutherlandRealGasTransport.H @@ -0,0 +1,227 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +------------------------------------------------------------------------------- +License + This file is part of foam-extend. + + foam-extend is free software: you can redistribute it and/or modify it + under the terms of the GNU General Public License as published by the + Free Software Foundation, either version 3 of the License, or (at your + option) any later version. + + foam-extend is distributed in the hope that it will be useful, but + WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + General Public License for more details. + + You should have received a copy of the GNU General Public License + along with foam-extend. If not, see . + +Class + Foam::sutherlandRealGasTransport + +Description + Transport package using Sutherland's formula. + + Templated into a given thermodynamics package (needed for thermal + conductivity). + + Dynamic viscosity [kg/m.s] + \f[ + \mu = A_s \frac{\sqrt{T}}{1 + T_s / T} + \f] + +SourceFiles + sutherlandRealGasTransportI.H + sutherlandRealGasTransport.C + +\*---------------------------------------------------------------------------*/ + +#ifndef sutherlandRealGasTransport_H +#define sutherlandRealGasTransport_H + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +namespace Foam +{ + +// Forward declaration of friend functions and operators + +template class sutherlandRealGasTransport; + +template +inline sutherlandRealGasTransport operator+ +( + const sutherlandRealGasTransport&, + const sutherlandRealGasTransport& +); + +template +inline sutherlandRealGasTransport operator- +( + const sutherlandRealGasTransport&, + const sutherlandRealGasTransport& +); + +template +inline sutherlandRealGasTransport operator* +( + const scalar, + const sutherlandRealGasTransport& +); + +template +inline sutherlandRealGasTransport operator== +( + const sutherlandRealGasTransport&, + const sutherlandRealGasTransport& +); + +template +Ostream& operator<< +( + Ostream&, + const sutherlandRealGasTransport& +); + + +/*---------------------------------------------------------------------------*\ + Class sutherlandRealGasTransport Declaration +\*---------------------------------------------------------------------------*/ + +template +class sutherlandRealGasTransport +: + public Thermo +{ + // Private data + + // Sutherland's coefficients + scalar As_, Ts_; + + + // Private Member Functions + + //- Calculate the Sutherland coefficients + // given two viscosities and temperatures + inline void calcCoeffs + ( + const scalar mu1, const scalar T1, + const scalar mu2, const scalar T2 + ); + + +public: + + // Constructors + + //- Construct from components + inline sutherlandRealGasTransport + ( + const Thermo& t, + const scalar As, + const scalar Ts + ); + + //- Construct from two viscosities + inline sutherlandRealGasTransport + ( + const Thermo& t, + const scalar mu1, const scalar T1, + const scalar mu2, const scalar T2 + ); + + //- Construct as named copy + inline sutherlandRealGasTransport(const word&, const sutherlandRealGasTransport&); + + //- Construct from Istream + sutherlandRealGasTransport(Istream&); + + //- Construct and return a clone + inline autoPtr clone() const; + + // Selector from Istream + inline static autoPtr New(Istream& is); + + // Selector from dictionary + inline static autoPtr New(const dictionary& dict); + + + // Member functions + + //- Dynamic viscosity [kg/ms] + inline scalar mu(const scalar T) const; + + //- Thermal conductivity [W/mK] + inline scalar kappa(const scalar rho,const scalar T) const; + + //- Thermal diffusivity for enthalpy [kg/ms] + inline scalar alpha(const scalar rho,const scalar T) const; + + + // Member operators + + inline sutherlandRealGasTransport& operator= + ( + const sutherlandRealGasTransport& + ); + + + // Friend operators + + friend sutherlandRealGasTransport operator+ + ( + const sutherlandRealGasTransport&, + const sutherlandRealGasTransport& + ); + + friend sutherlandRealGasTransport operator- + ( + const sutherlandRealGasTransport&, + const sutherlandRealGasTransport& + ); + + friend sutherlandRealGasTransport operator* + ( + const scalar, + const sutherlandRealGasTransport& + ); + + friend sutherlandRealGasTransport operator== + ( + const sutherlandRealGasTransport&, + const sutherlandRealGasTransport& + ); + + + // Ostream Operator + + friend Ostream& operator<< + ( + Ostream&, + const sutherlandRealGasTransport& + ); +}; + + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +} // End namespace Foam + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +#include "sutherlandRealGasTransportI.H" + +#ifdef NoRepository +# include "sutherlandRealGasTransport.C" +#endif + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +#endif + +// ************************************************************************* // diff --git a/src/thermophysicalModels/specie/transport/sutherlandRealGas/sutherlandRealGasTransportI.H b/src/thermophysicalModels/specie/transport/sutherlandRealGas/sutherlandRealGasTransportI.H new file mode 100644 index 000000000..ee94dbc99 --- /dev/null +++ b/src/thermophysicalModels/specie/transport/sutherlandRealGas/sutherlandRealGasTransportI.H @@ -0,0 +1,266 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +------------------------------------------------------------------------------- +License + This file is part of foam-extend. + + foam-extend is free software: you can redistribute it and/or modify it + under the terms of the GNU General Public License as published by the + Free Software Foundation, either version 3 of the License, or (at your + option) any later version. + + foam-extend is distributed in the hope that it will be useful, but + WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + General Public License for more details. + + You should have received a copy of the GNU General Public License + along with foam-extend. If not, see . + +\*---------------------------------------------------------------------------*/ + +#include "specie.H" + +// * * * * * * * * * * * * * Private Member Functions * * * * * * * * * * * // + +template +inline void Foam::sutherlandRealGasTransport::calcCoeffs +( + const scalar mu1, const scalar T1, + const scalar mu2, const scalar T2 +) +{ + scalar rootT1 = sqrt(T1); + scalar mu1rootT2 = mu1*sqrt(T2); + scalar mu2rootT1 = mu2*rootT1; + + Ts_ = (mu2rootT1 - mu1rootT2)/(mu1rootT2/T1 - mu2rootT1/T2); + + As_ = mu1*(1.0 + Ts_/T1)/rootT1; +} + + +// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * // + +template +inline Foam::sutherlandRealGasTransport::sutherlandRealGasTransport +( + const Thermo& t, + const scalar As, + const scalar Ts +) +: + Thermo(t), + As_(As), + Ts_(Ts) +{} + + +template +inline Foam::sutherlandRealGasTransport::sutherlandRealGasTransport +( + const Thermo& t, + const scalar mu1, const scalar T1, + const scalar mu2, const scalar T2 +) +: + Thermo(t) +{ + calcCoeffs(mu1, T1, mu2, T2); +} + + +template +inline Foam::sutherlandRealGasTransport::sutherlandRealGasTransport +( + const word& name, + const sutherlandRealGasTransport& st +) +: + Thermo(name, st), + As_(st.As_), + Ts_(st.Ts_) +{} + + +template +inline Foam::autoPtr > +Foam::sutherlandRealGasTransport::clone() const +{ + return autoPtr > + ( + new sutherlandRealGasTransport(*this) + ); +} + + +template +inline Foam::autoPtr > +Foam::sutherlandRealGasTransport::New +( + Istream& is +) +{ + return autoPtr > + ( + new sutherlandRealGasTransport(is) + ); +} + + +template +inline Foam::autoPtr > +Foam::sutherlandRealGasTransport::New +( + const dictionary& dict +) +{ + return autoPtr > + ( + new sutherlandRealGasTransport(dict) + ); +} + + +// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * // + +template +inline Foam::scalar Foam::sutherlandRealGasTransport::mu(const scalar T) const +{ + return As_*::sqrt(T)/(1.0 + Ts_/T); +} + + +// CL: for real gas thermo +// Thermal conductivity [W/mK] +template +inline Foam::scalar Foam::sutherlandRealGasTransport::kappa +( + const scalar rho, + const scalar T +) const +{ + scalar Cv_ = this->Cv(rho,T); + return mu(T)*Cv_*(1.32 + 1.77*this->R()/Cv_); +} + + +// CL: for real gas thermo +// Thermal diffusivity for enthalpy [kg/ms] +template +inline Foam::scalar Foam::sutherlandRealGasTransport::alpha +( + const scalar rho, + const scalar T +) const +{ + scalar Cv_ = this->Cv(rho,T); + scalar Cp_ = this->Cp(rho,T); + + scalar deltaT = T - specie::Tstd; + scalar CpBar = + (deltaT*(this->H(rho, T) - this->H(this->rhostd(),specie::Tstd)) + Cp_)/(sqr(deltaT) + 1); + + return mu(T)*Cv_*(1.32 + 1.77*this->R()/Cv_)/CpBar; +} + +// * * * * * * * * * * * * * * * Member Operators * * * * * * * * * * * * * // + +template +inline Foam::sutherlandRealGasTransport& +Foam::sutherlandRealGasTransport::operator= +( + const sutherlandRealGasTransport& st +) +{ + Thermo::operator=(st); + + As_ = st.As_; + Ts_ = st.Ts_; + + return *this; +} + + +// * * * * * * * * * * * * * * * Friend Operators * * * * * * * * * * * * * // + +template +inline Foam::sutherlandRealGasTransport Foam::operator+ +( + const sutherlandRealGasTransport& st1, + const sutherlandRealGasTransport& st2 +) +{ + Thermo t + ( + static_cast(st1) + static_cast(st2) + ); + + scalar molr1 = st1.nMoles()/t.nMoles(); + scalar molr2 = st2.nMoles()/t.nMoles(); + + return sutherlandRealGasTransport + ( + t, + molr1*st1.As_ + molr2*st2.As_, + molr1*st1.Ts_ + molr2*st2.Ts_ + ); +} + + +template +inline Foam::sutherlandRealGasTransport Foam::operator- +( + const sutherlandRealGasTransport& st1, + const sutherlandRealGasTransport& st2 +) +{ + Thermo t + ( + static_cast(st1) - static_cast(st2) + ); + + scalar molr1 = st1.nMoles()/t.nMoles(); + scalar molr2 = st2.nMoles()/t.nMoles(); + + return sutherlandRealGasTransport + ( + t, + molr1*st1.As_ - molr2*st2.As_, + molr1*st1.Ts_ - molr2*st2.Ts_ + ); +} + + +template +inline Foam::sutherlandRealGasTransport Foam::operator* +( + const scalar s, + const sutherlandRealGasTransport& st +) +{ + return sutherlandRealGasTransport + ( + s*static_cast(st), + st.As_, + st.Ts_ + ); +} + + +template +inline Foam::sutherlandRealGasTransport Foam::operator== +( + const sutherlandRealGasTransport& st1, + const sutherlandRealGasTransport& st2 +) +{ + return st2 - st1; +} + + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/backStep/0/T b/tutorials/compressible/realFluidPisoFoam/ras/backStep/0/T new file mode 100755 index 000000000..7e5542596 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/backStep/0/T @@ -0,0 +1,49 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object T; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 0 1 0 0 0]; + +internalField uniform 333.15; + +boundaryField +{ + inlet + { + type fixedValue; + value uniform 333.15; + } + outlet + { + type zeroGradient; + } + + upperWall + { + type zeroGradient; + } + lowerWall + { + type zeroGradient; + } + frontAndBack + { + type empty; + } +} + + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/backStep/0/U b/tutorials/compressible/realFluidPisoFoam/ras/backStep/0/U new file mode 100755 index 000000000..1711edb62 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/backStep/0/U @@ -0,0 +1,51 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volVectorField; + location "0"; + object U; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 1 -1 0 0 0 0]; + +internalField uniform (0 0 0); + +boundaryField +{ + inlet + { + type pressureInletVelocity; + value uniform (1 0 0); + } + outlet + { + type zeroGradient; + } + + upperWall + { + type fixedValue; + value uniform (0 0 0); + } + lowerWall + { + type fixedValue; + value uniform (0 0 0); + } + frontAndBack + { + type empty; + } +} + + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/backStep/0/epsilon b/tutorials/compressible/realFluidPisoFoam/ras/backStep/0/epsilon new file mode 100644 index 000000000..b284626d8 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/backStep/0/epsilon @@ -0,0 +1,60 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object epsilon; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 2 -3 0 0 0 0]; + +internalField uniform 1120; + +boundaryField +{ + inlet + { + type fixedValue; + value uniform 1120; + } + outlet + { + type inletOutlet; + inletValue uniform 1120; + value uniform 1120; + } + upperWall + { + type compressible::epsilonWallFunction; + refValue uniform 0; + value uniform 1120; + Cmu 0.09; + kappa 0.41; + E 9.8; + } + lowerWall + { + type compressible::epsilonWallFunction; + refValue uniform 0; + value uniform 1120; + Cmu 0.09; + kappa 0.41; + E 9.8; + } + frontAndBack + { + type empty; + } +} + + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/backStep/0/k b/tutorials/compressible/realFluidPisoFoam/ras/backStep/0/k new file mode 100644 index 000000000..b6e33fab5 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/backStep/0/k @@ -0,0 +1,53 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object k; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 2 -2 0 0 0 0]; + +internalField uniform 5; + +boundaryField +{ + inlet + { + type turbulentIntensityKineticEnergyInlet; + intensity 0.01; + U U; + phi phi; + value uniform 5; + } + outlet + { + type zeroGradient; + } + upperWall + { + type compressible::kqRWallFunction; + value uniform 5; + } + lowerWall + { + type compressible::kqRWallFunction; + value uniform 5; + } + frontAndBack + { + type empty; + } +} + + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/backStep/0/p b/tutorials/compressible/realFluidPisoFoam/ras/backStep/0/p new file mode 100755 index 000000000..781404e7b --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/backStep/0/p @@ -0,0 +1,54 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object p; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -1 -2 0 0 0 0]; + +internalField uniform 80e5; + +boundaryField +{ + inlet + { + type totalPressure; + rho rho; + psi none; + gamma 1.4; + p0 uniform 80.01e5; + value uniform 80.01e5; + } + outlet + { + type fixedValue; + value uniform 8e+06; + } + + upperWall + { + type zeroGradient; + } + lowerWall + { + type zeroGradient; + } + 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/realFluidPisoFoam/ras/backStep/constant/RASProperties b/tutorials/compressible/realFluidPisoFoam/ras/backStep/constant/RASProperties new file mode 100755 index 000000000..334f83e39 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/backStep/constant/RASProperties @@ -0,0 +1,25 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object RASProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +RASModel kEpsilon; + +turbulence on; + +printCoeffs on; + + +// ************************************************************************* // 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..c5ed430e1 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/backStep/constant/polyMesh/blockMeshDict @@ -0,0 +1,173 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + object blockMeshDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +convertToMeters 0.001; + +vertices +( + (-20.6 0 -0.5) + (-20.6 3 -0.5) + (-20.6 12.7 -0.5) + (-20.6 25.4 -0.5) + (0 -25.4 -0.5) + (0 -5 -0.5) + (0 0 -0.5) + (0 3 -0.5) + (0 12.7 -0.5) + (0 25.4 -0.5) + (206 -25.4 -0.5) + (206 -8.5 -0.5) + (206 0 -0.5) + (206 6.5 -0.5) + (206 17 -0.5) + (206 25.4 -0.5) + (290 -16.6 -0.5) + (290 -6.3 -0.5) + (290 0 -0.5) + (290 4.5 -0.5) + (290 11 -0.5) + (290 16.6 -0.5) + (-20.6 0 0.5) + (-20.6 3 0.5) + (-20.6 12.7 0.5) + (-20.6 25.4 0.5) + (0 -25.4 0.5) + (0 -5 0.5) + (0 0 0.5) + (0 3 0.5) + (0 12.7 0.5) + (0 25.4 0.5) + (206 -25.4 0.5) + (206 -8.5 0.5) + (206 0 0.5) + (206 6.5 0.5) + (206 17 0.5) + (206 25.4 0.5) + (290 -16.6 0.5) + (290 -6.3 0.5) + (290 0 0.5) + (290 4.5 0.5) + (290 11 0.5) + (290 16.6 0.5) +); + +blocks +( + hex (0 6 7 1 22 28 29 23) (18 7 1) simpleGrading (0.5 1.8 1) + hex (1 7 8 2 23 29 30 24) (18 10 1) simpleGrading (0.5 4 1) + hex (2 8 9 3 24 30 31 25) (18 13 1) simpleGrading (0.5 0.25 1) + hex (4 10 11 5 26 32 33 27) (180 18 1) simpleGrading (4 1 1) + hex (5 11 12 6 27 33 34 28) (180 9 1) edgeGrading (4 4 4 4 0.5 1 1 0.5 1 1 1 1) + hex (6 12 13 7 28 34 35 29) (180 7 1) edgeGrading (4 4 4 4 1.8 1 1 1.8 1 1 1 1) + hex (7 13 14 8 29 35 36 30) (180 10 1) edgeGrading (4 4 4 4 4 1 1 4 1 1 1 1) + hex (8 14 15 9 30 36 37 31) (180 13 1) simpleGrading (4 0.25 1) + hex (10 16 17 11 32 38 39 33) (25 18 1) simpleGrading (2.5 1 1) + hex (11 17 18 12 33 39 40 34) (25 9 1) simpleGrading (2.5 1 1) + hex (12 18 19 13 34 40 41 35) (25 7 1) simpleGrading (2.5 1 1) + hex (13 19 20 14 35 41 42 36) (25 10 1) simpleGrading (2.5 1 1) + hex (14 20 21 15 36 42 43 37) (25 13 1) simpleGrading (2.5 0.25 1) +); + +edges +( +); + +boundary +( + inlet + { + type patch; + faces + ( + (0 22 23 1) + (1 23 24 2) + (2 24 25 3) + ); + } + outlet + { + type patch; + faces + ( + (16 17 39 38) + (17 18 40 39) + (18 19 41 40) + (19 20 42 41) + (20 21 43 42) + ); + } + upperWall + { + type wall; + faces + ( + (3 25 31 9) + (9 31 37 15) + (15 37 43 21) + ); + } + lowerWall + { + type wall; + faces + ( + (0 6 28 22) + (6 5 27 28) + (5 4 26 27) + (4 10 32 26) + (10 16 38 32) + ); + } + frontAndBack + { + type empty; + faces + ( + (22 28 29 23) + (23 29 30 24) + (24 30 31 25) + (26 32 33 27) + (27 33 34 28) + (28 34 35 29) + (29 35 36 30) + (30 36 37 31) + (32 38 39 33) + (33 39 40 34) + (34 40 41 35) + (35 41 42 36) + (36 42 43 37) + (0 1 7 6) + (1 2 8 7) + (2 3 9 8) + (4 5 11 10) + (5 6 12 11) + (6 7 13 12) + (7 8 14 13) + (8 9 15 14) + (10 11 17 16) + (11 12 18 17) + (12 13 19 18) + (13 14 20 19) + (14 15 21 20) + ); + } +); + +mergePatchPairs +( +); + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/backStep/constant/thermophysicalProperties b/tutorials/compressible/realFluidPisoFoam/ras/backStep/constant/thermophysicalProperties new file mode 100755 index 000000000..42c9e9125 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/backStep/constant/thermophysicalProperties @@ -0,0 +1,68 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + + location "constant"; + object thermophysicalProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +//CL: List of possible real gas models + +thermoType realGasHThermo>>>>; +mixture CO2 1 44.01 73.773e5 304.13 49436.5054 -626.411601 5.30172524 0.002503813816 -0.0000002127308728 -0.000000000768998878 2.849677801e-13 1.4792e-06 116; + +//thermoType realGasHThermo>>>>; +//mixture CO2 1 44.01 73.773e5 304.13 0.22394 467.6 49436.5054 -626.411601 5.30172524 0.002503813816 -0.0000002127308728 -0.000000000768998878 2.849677801E-13 1.4792e-06 116; + +//thermoType realGasHThermo>>>>; +//mixture CO2 1 44.01 73.773e5 304.13 0.22394 49436.5054 -626.411601 5.30172524 0.002503813816 -0.0000002127308728 -0.000000000768998878 2.849677801e-13 1.4792e-06 116; + +//thermoType realGasHThermo>>>>; +//mixture CO2 1 44.01 73.773e5 304.13 0.22394 49436.5054 -626.411601 5.30172524 0.002503813816 -0.0000002127308728 -0.000000000768998878 2.849677801e-13 1.4792e-06 116; + + +//thermoType realGasHThermo>>>>; +//mixture CO2 1 44.01 73.773e5 304.13 839 1.4792e-06 116; + +//thermoType realGasHThermo>>>>; + + +//thermoType realGasHThermo>>>>; +//thermoType realGasHThermo>>>>; + +//thermoType realGasHThermo>>>>; +//thermoType realGasHThermo>>>>; +//thermoType realGasHThermo>>>>; +//thermoType realGasHThermo>>>>; +//thermoType realGasHThermo>>>>; +//thermoType realGasHThermo>>>>; +//thermoType realGasHThermo>>>>; +//thermoType realGasHThermo>>>>; + + + +//CL: description of coefficients +// *********************************************************************************************************************** // +// Coefficient: +// CO2 --> Name +// 1 +// 44.01 --> Molar Volume +// 77.773e5 --> critical pressure +// 304.13 --> critical temperatur +// 0.22394 --> acentric factor (not needed for redlich kwong) +// 467.6 --> critical density (only for aungier redlich kwong) +// 49436.5054 --> 2.849677801e-13 --> 7 heat capacity polynomial coefficent's +// .... --> two coefficent's for sutherlandRealGasTransport or for the constRealGasTransport model +// 839 --> perfect gas heat capacity Cp0 (J/kgK), needed for constantHeatCapacity +// *********************************************************************************************************************** // + diff --git a/tutorials/compressible/realFluidPisoFoam/ras/backStep/constant/turbulenceProperties b/tutorials/compressible/realFluidPisoFoam/ras/backStep/constant/turbulenceProperties new file mode 100755 index 000000000..11e716e4e --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/backStep/constant/turbulenceProperties @@ -0,0 +1,20 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object turbulenceProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +simulationType RASModel; + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/backStep/system/controlDict b/tutorials/compressible/realFluidPisoFoam/ras/backStep/system/controlDict new file mode 100755 index 000000000..17ef143fc --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/backStep/system/controlDict @@ -0,0 +1,55 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object controlDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +application realFluidPisoFoam; + +startFrom latestTime; + +//startTime 0; + +stopAt endTime; + +endTime 0.5; + +deltaT 1e-5; + +writeControl runTime; + +writeInterval 0.1; + +purgeWrite 0; + +writeFormat ascii; + +writePrecision 6; + +writeCompression uncompressed; + +timeFormat general; + +timePrecision 10; + +adjustTimeStep yes; + +maxCo 0.5; + +maxDeltaT 1e-2; + +runTimeModifiable yes; + + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/backStep/system/fvSchemes b/tutorials/compressible/realFluidPisoFoam/ras/backStep/system/fvSchemes new file mode 100644 index 000000000..3a594c586 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/backStep/system/fvSchemes @@ -0,0 +1,75 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object fvSchemes; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +ddtSchemes +{ + default Euler; +} + +gradSchemes +{ + default Gauss linear; + grad(p) Gauss linear; +} + +divSchemes +{ + default Gauss linear; + div(phi,U) Gauss limitedLinearV 1; + div(phid,p) Gauss limitedLinear 1; + div(phiU,p) Gauss linear; + div(phi,h) Gauss limitedLinear 1; + div(phi,k) Gauss limitedLinear 1; + div(phi,epsilon) Gauss limitedLinear 1; + div(phi,R) Gauss limitedLinear 1; + div(phi,omega) Gauss limitedLinear 1; + div((rho*R)) Gauss linear; + div(R) Gauss linear; + div(U) Gauss linear; + div((muEff*dev2(grad(U).T()))) Gauss linear; +} + +laplacianSchemes +{ + default none; + laplacian(muEff,U) Gauss linear corrected; + laplacian(mut,U) Gauss linear corrected; + laplacian(DkEff,k) Gauss linear corrected; + laplacian(DepsilonEff,epsilon) Gauss linear corrected; + laplacian(DREff,R) Gauss linear corrected; + laplacian(DomegaEff,omega) Gauss linear corrected; + laplacian((rho*(1|A(U))),p) Gauss linear corrected; + laplacian(alphaEff,h) Gauss linear corrected; +} + +interpolationSchemes +{ + default linear; +} + +snGradSchemes +{ + default corrected; +} + +fluxRequired +{ + default no; + p ; +} + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/backStep/system/fvSolution b/tutorials/compressible/realFluidPisoFoam/ras/backStep/system/fvSolution new file mode 100755 index 000000000..7a470c4b8 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/backStep/system/fvSolution @@ -0,0 +1,97 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object fvSolution; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +solvers +{ + +p +{ + solver GAMG; + tolerance 1e-14; + relTol 0.001; + smoother GaussSeidel; + minIter 4; + //maxIter 100; + cacheAgglomeration true; + nPreSweeps 1; + nPostSweeps 3; + nFinestSweeps 3; + nCellsInCoarsestLevel 20; + agglomerator faceAreaPair; + mergeLevels 1; +} + + U + { + solver smoothSolver; + smoother GaussSeidel; + nSweeps 2; + tolerance 1e-14; + relTol 0.001; + } + + rho + { + solver PCG; + preconditioner DIC; + tolerance 1e-10; + relTol 0; + } + + htot + { + solver smoothSolver; + smoother GaussSeidel; + nSweeps 2; + tolerance 1e-14; + relTol 0.001; + } + + h + { + solver smoothSolver; + smoother GaussSeidel; + nSweeps 2; + tolerance 1e-14; + relTol 0.001; + } + + k + { + solver PBiCG; + preconditioner DILU; + tolerance 1e-10; + relTol 0; + } + epsilon + { + solver PBiCG; + preconditioner DILU; + tolerance 1e-10; + relTol 0; + } +} + +PISO +{ + nNonOrthogonalCorrectors 0; + nCorrectors 2; + momentumPredictor yes; +} + + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0.org/T b/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0.org/T new file mode 100755 index 000000000..de08c916e --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0.org/T @@ -0,0 +1,49 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object T; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 0 1 0 0 0]; + +internalField uniform 500; + +boundaryField +{ + inlet + { + type fixedValue; + value uniform 500; + } + outlet + { + type zeroGradient; + } + + upperWall + { + type zeroGradient; + } + lowerWall + { + type zeroGradient; + } + frontAndBack + { + type empty; + } +} + + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0.org/U b/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0.org/U new file mode 100755 index 000000000..a4d73fd53 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0.org/U @@ -0,0 +1,51 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volVectorField; + location "0"; + object U; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 1 -1 0 0 0 0]; + +internalField uniform (0 0 0); + +boundaryField +{ + inlet + { + type fixedValue; + value uniform (1 0 0); + } + outlet + { + type zeroGradient; + } + + upperWall + { + type fixedValue; + value uniform (0 0 0); + } + lowerWall + { + type fixedValue; + value uniform (0 0 0); + } + frontAndBack + { + type empty; + } +} + + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0.org/epsilon b/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0.org/epsilon new file mode 100644 index 000000000..543162521 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0.org/epsilon @@ -0,0 +1,58 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object epsilon; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 2 -3 0 0 0 0]; + +internalField uniform 1120; + +boundaryField +{ + upperWall + { + type compressible::epsilonWallFunction; + Cmu 0.09; + kappa 0.41; + E 9.8; + value uniform 1120; + } + lowerWall + { + type compressible::epsilonWallFunction; + Cmu 0.09; + kappa 0.41; + E 9.8; + value uniform 1120; + } + inlet + { + type fixedValue; + value uniform 1120; + } + outlet + { + type inletOutlet; + inletValue uniform 1120; + value uniform 1120; + } + frontAndBack + { + type empty; + } +} + + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0.org/k b/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0.org/k new file mode 100644 index 000000000..c80afacb1 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0.org/k @@ -0,0 +1,53 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object k; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 2 -2 0 0 0 0]; + +internalField uniform 5; + +boundaryField +{ + upperWall + { + type compressible::kqRWallFunction; + value uniform 5; + } + lowerWall + { + type compressible::kqRWallFunction; + value uniform 5; + } + inlet + { + type turbulentIntensityKineticEnergyInlet; + intensity 0.01; + U U; + phi phi; + value uniform 5; + } + outlet + { + type zeroGradient; + } + frontAndBack + { + type empty; + } +} + + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0.org/p b/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0.org/p new file mode 100755 index 000000000..4b562e9da --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0.org/p @@ -0,0 +1,49 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object p; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -1 -2 0 0 0 0]; + +internalField uniform 10e5; + +boundaryField +{ + inlet + { + type zeroGradient; + } + outlet + { + type fixedValue; + value uniform 1e+06; + } + + upperWall + { + type zeroGradient; + } + lowerWall + { + type zeroGradient; + } + frontAndBack + { + type empty; + } +} + + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0/T b/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0/T new file mode 100755 index 000000000..de08c916e --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0/T @@ -0,0 +1,49 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object T; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 0 1 0 0 0]; + +internalField uniform 500; + +boundaryField +{ + inlet + { + type fixedValue; + value uniform 500; + } + outlet + { + type zeroGradient; + } + + upperWall + { + type zeroGradient; + } + lowerWall + { + type zeroGradient; + } + frontAndBack + { + type empty; + } +} + + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0/U b/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0/U new file mode 100755 index 000000000..a4d73fd53 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0/U @@ -0,0 +1,51 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volVectorField; + location "0"; + object U; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 1 -1 0 0 0 0]; + +internalField uniform (0 0 0); + +boundaryField +{ + inlet + { + type fixedValue; + value uniform (1 0 0); + } + outlet + { + type zeroGradient; + } + + upperWall + { + type fixedValue; + value uniform (0 0 0); + } + lowerWall + { + type fixedValue; + value uniform (0 0 0); + } + frontAndBack + { + type empty; + } +} + + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0/epsilon b/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0/epsilon new file mode 100644 index 000000000..543162521 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0/epsilon @@ -0,0 +1,58 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object epsilon; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 2 -3 0 0 0 0]; + +internalField uniform 1120; + +boundaryField +{ + upperWall + { + type compressible::epsilonWallFunction; + Cmu 0.09; + kappa 0.41; + E 9.8; + value uniform 1120; + } + lowerWall + { + type compressible::epsilonWallFunction; + Cmu 0.09; + kappa 0.41; + E 9.8; + value uniform 1120; + } + inlet + { + type fixedValue; + value uniform 1120; + } + outlet + { + type inletOutlet; + inletValue uniform 1120; + value uniform 1120; + } + frontAndBack + { + type empty; + } +} + + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0/k b/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0/k new file mode 100644 index 000000000..c80afacb1 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0/k @@ -0,0 +1,53 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object k; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 2 -2 0 0 0 0]; + +internalField uniform 5; + +boundaryField +{ + upperWall + { + type compressible::kqRWallFunction; + value uniform 5; + } + lowerWall + { + type compressible::kqRWallFunction; + value uniform 5; + } + inlet + { + type turbulentIntensityKineticEnergyInlet; + intensity 0.01; + U U; + phi phi; + value uniform 5; + } + outlet + { + type zeroGradient; + } + frontAndBack + { + type empty; + } +} + + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0/p b/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0/p new file mode 100755 index 000000000..4b562e9da --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/0/p @@ -0,0 +1,49 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object p; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -1 -2 0 0 0 0]; + +internalField uniform 10e5; + +boundaryField +{ + inlet + { + type zeroGradient; + } + outlet + { + type fixedValue; + value uniform 1e+06; + } + + upperWall + { + type zeroGradient; + } + lowerWall + { + type zeroGradient; + } + frontAndBack + { + type empty; + } +} + + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/Allrun b/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/Allrun new file mode 100755 index 000000000..30b386dfe --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/backStep_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/realFluidPisoFoam/ras/backStep_IAPWS97/README b/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/README new file mode 100644 index 000000000..7a48d017c --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/README @@ -0,0 +1,48 @@ +This tutorial is to show how the IAPWSThermo work in foam + +//***********************INFORMATION TO TEST CASE*******************************// + +Important files in this case: + +1. thermophysicalProperties + +--> see thermotype + +2. controlDict: + +the dynamic libraries used for the IAPWS 97 water properties are not directly link into foam. +Therefore, the dynamic libraries need to be defined in controlDict + + +//************************NEW CODE NEEDED FOR THIS CASE*************************// + +1. Code in foam: $WM_PROJECT_DIR/src/thermophysicalModels/externalMedia/ + just run wmake libso in the folder + +2. FreeSteam: download the code @ http://freesteam.sourceforge.net/example.php + +//***********************Problems*******************************// + +If problems occur using the IAPWS 97 water properties, please check the following points + +1. have you successfully compiled freeSteam? + + a: If no, have you installed gsl, scons and so on (see README.txt in the freeSteam) + b: If yes, is the libfreesteam.so in a folder where foam finds it e.g. $WM_PROJECT_DIR/lib/... + +2. have you compiled the thermophysical models that connect freeSteam to foam. They can be found in this folder: $WM_PROJECT_DIR/src/ + thermophysicalModels/externalMedia/ + + +3. IS THE SOLVER STARTING TO RUN THE CASE? NO + + check b23.c file at line 39 (or at least somewhere in the code: + + if you find the following code: + return B23_N[4] + sqrt((pi - B23_N[5])/B23_N[3]) /* * 1{K} */; + + change it to this: + return B23_N[4] + sqrt(fabs(pi - B23_N[5])/B23_N[3]) /* * 1{K} */; + + + diff --git a/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/constant/RASProperties b/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/constant/RASProperties new file mode 100755 index 000000000..334f83e39 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/constant/RASProperties @@ -0,0 +1,25 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object RASProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +RASModel kEpsilon; + +turbulence on; + +printCoeffs on; + + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/constant/polyMesh/blockMeshDict b/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/constant/polyMesh/blockMeshDict new file mode 100644 index 000000000..c5ed430e1 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/constant/polyMesh/blockMeshDict @@ -0,0 +1,173 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + object blockMeshDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +convertToMeters 0.001; + +vertices +( + (-20.6 0 -0.5) + (-20.6 3 -0.5) + (-20.6 12.7 -0.5) + (-20.6 25.4 -0.5) + (0 -25.4 -0.5) + (0 -5 -0.5) + (0 0 -0.5) + (0 3 -0.5) + (0 12.7 -0.5) + (0 25.4 -0.5) + (206 -25.4 -0.5) + (206 -8.5 -0.5) + (206 0 -0.5) + (206 6.5 -0.5) + (206 17 -0.5) + (206 25.4 -0.5) + (290 -16.6 -0.5) + (290 -6.3 -0.5) + (290 0 -0.5) + (290 4.5 -0.5) + (290 11 -0.5) + (290 16.6 -0.5) + (-20.6 0 0.5) + (-20.6 3 0.5) + (-20.6 12.7 0.5) + (-20.6 25.4 0.5) + (0 -25.4 0.5) + (0 -5 0.5) + (0 0 0.5) + (0 3 0.5) + (0 12.7 0.5) + (0 25.4 0.5) + (206 -25.4 0.5) + (206 -8.5 0.5) + (206 0 0.5) + (206 6.5 0.5) + (206 17 0.5) + (206 25.4 0.5) + (290 -16.6 0.5) + (290 -6.3 0.5) + (290 0 0.5) + (290 4.5 0.5) + (290 11 0.5) + (290 16.6 0.5) +); + +blocks +( + hex (0 6 7 1 22 28 29 23) (18 7 1) simpleGrading (0.5 1.8 1) + hex (1 7 8 2 23 29 30 24) (18 10 1) simpleGrading (0.5 4 1) + hex (2 8 9 3 24 30 31 25) (18 13 1) simpleGrading (0.5 0.25 1) + hex (4 10 11 5 26 32 33 27) (180 18 1) simpleGrading (4 1 1) + hex (5 11 12 6 27 33 34 28) (180 9 1) edgeGrading (4 4 4 4 0.5 1 1 0.5 1 1 1 1) + hex (6 12 13 7 28 34 35 29) (180 7 1) edgeGrading (4 4 4 4 1.8 1 1 1.8 1 1 1 1) + hex (7 13 14 8 29 35 36 30) (180 10 1) edgeGrading (4 4 4 4 4 1 1 4 1 1 1 1) + hex (8 14 15 9 30 36 37 31) (180 13 1) simpleGrading (4 0.25 1) + hex (10 16 17 11 32 38 39 33) (25 18 1) simpleGrading (2.5 1 1) + hex (11 17 18 12 33 39 40 34) (25 9 1) simpleGrading (2.5 1 1) + hex (12 18 19 13 34 40 41 35) (25 7 1) simpleGrading (2.5 1 1) + hex (13 19 20 14 35 41 42 36) (25 10 1) simpleGrading (2.5 1 1) + hex (14 20 21 15 36 42 43 37) (25 13 1) simpleGrading (2.5 0.25 1) +); + +edges +( +); + +boundary +( + inlet + { + type patch; + faces + ( + (0 22 23 1) + (1 23 24 2) + (2 24 25 3) + ); + } + outlet + { + type patch; + faces + ( + (16 17 39 38) + (17 18 40 39) + (18 19 41 40) + (19 20 42 41) + (20 21 43 42) + ); + } + upperWall + { + type wall; + faces + ( + (3 25 31 9) + (9 31 37 15) + (15 37 43 21) + ); + } + lowerWall + { + type wall; + faces + ( + (0 6 28 22) + (6 5 27 28) + (5 4 26 27) + (4 10 32 26) + (10 16 38 32) + ); + } + frontAndBack + { + type empty; + faces + ( + (22 28 29 23) + (23 29 30 24) + (24 30 31 25) + (26 32 33 27) + (27 33 34 28) + (28 34 35 29) + (29 35 36 30) + (30 36 37 31) + (32 38 39 33) + (33 39 40 34) + (34 40 41 35) + (35 41 42 36) + (36 42 43 37) + (0 1 7 6) + (1 2 8 7) + (2 3 9 8) + (4 5 11 10) + (5 6 12 11) + (6 7 13 12) + (7 8 14 13) + (8 9 15 14) + (10 11 17 16) + (11 12 18 17) + (12 13 19 18) + (13 14 20 19) + (14 15 21 20) + ); + } +); + +mergePatchPairs +( +); + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/constant/polyMesh/boundary b/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/constant/polyMesh/boundary new file mode 100644 index 000000000..50905a79d --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/constant/polyMesh/boundary @@ -0,0 +1,52 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class polyBoundaryMesh; + location "constant/polyMesh"; + object boundary; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +5 +( + inlet + { + type patch; + nFaces 30; + startFace 24170; + } + outlet + { + type patch; + nFaces 57; + startFace 24200; + } + upperWall + { + type wall; + nFaces 223; + startFace 24257; + } + lowerWall + { + type wall; + nFaces 250; + startFace 24480; + } + frontAndBack + { + type empty; + nFaces 24450; + startFace 24730; + } +) + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/constant/thermophysicalProperties b/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/constant/thermophysicalProperties new file mode 100755 index 000000000..09ade9ab7 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/constant/thermophysicalProperties @@ -0,0 +1,23 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + + location "constant"; + object thermophysicalProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +//CL: this is all +thermoType IAPWSThermo; + + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/constant/turbulenceProperties b/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/constant/turbulenceProperties new file mode 100755 index 000000000..09e0fc845 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/constant/turbulenceProperties @@ -0,0 +1,21 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object turbulenceProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +simulationType RASModel; + + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/system/controlDict b/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/system/controlDict new file mode 100755 index 000000000..0c49e76d9 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/system/controlDict @@ -0,0 +1,61 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.6 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object controlDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +application realFluidPisoFoam; + +startFrom latestTime; + +//startTime 0; + +stopAt endTime; + +endTime 0.5; + +deltaT 1e-5; + +writeControl runTime; + +writeInterval 1e-1; + +purgeWrite 0; + +writeFormat ascii; + +writePrecision 6; + +writeCompression uncompressed; + +timeFormat general; + +timePrecision 10; + +adjustTimeStep yes; + +maxCo 0.75; + +maxDeltaT 0.01; + +runTimeModifiable yes; + +libs +( + "libIAPWSThermo.so" + "libfreesteam.so" +); + + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/system/fvSchemes b/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/system/fvSchemes new file mode 100644 index 000000000..3a594c586 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/system/fvSchemes @@ -0,0 +1,75 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object fvSchemes; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +ddtSchemes +{ + default Euler; +} + +gradSchemes +{ + default Gauss linear; + grad(p) Gauss linear; +} + +divSchemes +{ + default Gauss linear; + div(phi,U) Gauss limitedLinearV 1; + div(phid,p) Gauss limitedLinear 1; + div(phiU,p) Gauss linear; + div(phi,h) Gauss limitedLinear 1; + div(phi,k) Gauss limitedLinear 1; + div(phi,epsilon) Gauss limitedLinear 1; + div(phi,R) Gauss limitedLinear 1; + div(phi,omega) Gauss limitedLinear 1; + div((rho*R)) Gauss linear; + div(R) Gauss linear; + div(U) Gauss linear; + div((muEff*dev2(grad(U).T()))) Gauss linear; +} + +laplacianSchemes +{ + default none; + laplacian(muEff,U) Gauss linear corrected; + laplacian(mut,U) Gauss linear corrected; + laplacian(DkEff,k) Gauss linear corrected; + laplacian(DepsilonEff,epsilon) Gauss linear corrected; + laplacian(DREff,R) Gauss linear corrected; + laplacian(DomegaEff,omega) Gauss linear corrected; + laplacian((rho*(1|A(U))),p) Gauss linear corrected; + laplacian(alphaEff,h) Gauss linear corrected; +} + +interpolationSchemes +{ + default linear; +} + +snGradSchemes +{ + default corrected; +} + +fluxRequired +{ + default no; + p ; +} + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/system/fvSolution b/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/system/fvSolution new file mode 100755 index 000000000..7a470c4b8 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/backStep_IAPWS97/system/fvSolution @@ -0,0 +1,97 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object fvSolution; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +solvers +{ + +p +{ + solver GAMG; + tolerance 1e-14; + relTol 0.001; + smoother GaussSeidel; + minIter 4; + //maxIter 100; + cacheAgglomeration true; + nPreSweeps 1; + nPostSweeps 3; + nFinestSweeps 3; + nCellsInCoarsestLevel 20; + agglomerator faceAreaPair; + mergeLevels 1; +} + + U + { + solver smoothSolver; + smoother GaussSeidel; + nSweeps 2; + tolerance 1e-14; + relTol 0.001; + } + + rho + { + solver PCG; + preconditioner DIC; + tolerance 1e-10; + relTol 0; + } + + htot + { + solver smoothSolver; + smoother GaussSeidel; + nSweeps 2; + tolerance 1e-14; + relTol 0.001; + } + + h + { + solver smoothSolver; + smoother GaussSeidel; + nSweeps 2; + tolerance 1e-14; + relTol 0.001; + } + + k + { + solver PBiCG; + preconditioner DILU; + tolerance 1e-10; + relTol 0; + } + epsilon + { + solver PBiCG; + preconditioner DILU; + tolerance 1e-10; + relTol 0; + } +} + +PISO +{ + nNonOrthogonalCorrectors 0; + nCorrectors 2; + momentumPredictor yes; +} + + +// ************************************************************************* // 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..c5c4ad3ab --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0.org/T @@ -0,0 +1,39 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + object 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..4016c89b8 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0.org/U @@ -0,0 +1,43 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volVectorField; + object U; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 1 -1 0 0 0 0]; + +internalField uniform (0 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..d66cb9f2f --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0.org/epsilon @@ -0,0 +1,49 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | foam-extend: Open Source CFD | +| \\ / O peration | Version: 3.1 | +| \\ / A nd | Web: http://www.extend-project.de | +| \\/ 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; + refValue uniform 0; + value uniform 0.000765; + Cmu 0.09; + kappa 0.41; + E 9.8; + } + fixedWalls + { + type compressible::epsilonWallFunction; + refValue uniform 0; + value uniform 0.000765; + Cmu 0.09; + kappa 0.41; + E 9.8; + } + 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..1ff821e29 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0.org/k @@ -0,0 +1,41 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | foam-extend: Open Source CFD | +| \\ / O peration | Version: 3.1 | +| \\ / A nd | Web: http://www.extend-project.de | +| \\/ 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/p b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0.org/p new file mode 100644 index 000000000..343aff8a0 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0.org/p @@ -0,0 +1,39 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + object p; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -1 -2 0 0 0 0]; + +internalField uniform 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..c5c4ad3ab --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0/T @@ -0,0 +1,39 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + object 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..4016c89b8 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0/U @@ -0,0 +1,43 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volVectorField; + object U; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 1 -1 0 0 0 0]; + +internalField uniform (0 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..d66cb9f2f --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0/epsilon @@ -0,0 +1,49 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | foam-extend: Open Source CFD | +| \\ / O peration | Version: 3.1 | +| \\ / A nd | Web: http://www.extend-project.de | +| \\/ 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; + refValue uniform 0; + value uniform 0.000765; + Cmu 0.09; + kappa 0.41; + E 9.8; + } + fixedWalls + { + type compressible::epsilonWallFunction; + refValue uniform 0; + value uniform 0.000765; + Cmu 0.09; + kappa 0.41; + E 9.8; + } + 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..1ff821e29 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0/k @@ -0,0 +1,41 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | foam-extend: Open Source CFD | +| \\ / O peration | Version: 3.1 | +| \\ / A nd | Web: http://www.extend-project.de | +| \\/ 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/p b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0/p new file mode 100644 index 000000000..343aff8a0 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/0/p @@ -0,0 +1,39 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + object p; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -1 -2 0 0 0 0]; + +internalField uniform 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/realFluidPisoFoam/ras/cavity_IAPWS97/README b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/README new file mode 100644 index 000000000..7a48d017c --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/README @@ -0,0 +1,48 @@ +This tutorial is to show how the IAPWSThermo work in foam + +//***********************INFORMATION TO TEST CASE*******************************// + +Important files in this case: + +1. thermophysicalProperties + +--> see thermotype + +2. controlDict: + +the dynamic libraries used for the IAPWS 97 water properties are not directly link into foam. +Therefore, the dynamic libraries need to be defined in controlDict + + +//************************NEW CODE NEEDED FOR THIS CASE*************************// + +1. Code in foam: $WM_PROJECT_DIR/src/thermophysicalModels/externalMedia/ + just run wmake libso in the folder + +2. FreeSteam: download the code @ http://freesteam.sourceforge.net/example.php + +//***********************Problems*******************************// + +If problems occur using the IAPWS 97 water properties, please check the following points + +1. have you successfully compiled freeSteam? + + a: If no, have you installed gsl, scons and so on (see README.txt in the freeSteam) + b: If yes, is the libfreesteam.so in a folder where foam finds it e.g. $WM_PROJECT_DIR/lib/... + +2. have you compiled the thermophysical models that connect freeSteam to foam. They can be found in this folder: $WM_PROJECT_DIR/src/ + thermophysicalModels/externalMedia/ + + +3. IS THE SOLVER STARTING TO RUN THE CASE? NO + + check b23.c file at line 39 (or at least somewhere in the code: + + if you find the following code: + return B23_N[4] + sqrt((pi - B23_N[5])/B23_N[3]) /* * 1{K} */; + + change it to this: + return B23_N[4] + sqrt(fabs(pi - B23_N[5])/B23_N[3]) /* * 1{K} */; + + + diff --git a/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/constant/RASProperties b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/constant/RASProperties new file mode 100755 index 000000000..334f83e39 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/constant/RASProperties @@ -0,0 +1,25 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object RASProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +RASModel kEpsilon; + +turbulence on; + +printCoeffs on; + + +// ************************************************************************* // 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..4a8472f71 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/constant/polyMesh/blockMeshDict @@ -0,0 +1,75 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + object blockMeshDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +convertToMeters 0.1; + +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..78abdf47f --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/constant/polyMesh/boundary @@ -0,0 +1,40 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | foam-extend: Open Source CFD | +| \\ / O peration | Version: 3.1 | +| \\ / A nd | Web: http://www.extend-project.de | +| \\/ 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/realFluidPisoFoam/ras/cavity_IAPWS97/constant/thermophysicalProperties b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/constant/thermophysicalProperties new file mode 100755 index 000000000..09ade9ab7 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/constant/thermophysicalProperties @@ -0,0 +1,23 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + + location "constant"; + object thermophysicalProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +//CL: this is all +thermoType IAPWSThermo; + + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/constant/turbulenceProperties b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/constant/turbulenceProperties new file mode 100755 index 000000000..09e0fc845 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/constant/turbulenceProperties @@ -0,0 +1,21 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object turbulenceProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +simulationType RASModel; + + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/system/controlDict b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/system/controlDict new file mode 100755 index 000000000..5dc80a5f3 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/system/controlDict @@ -0,0 +1,62 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.6 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object controlDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +application realFluidPisoFoam; + +startFrom latestTime; + +//startTime 0; + +stopAt endTime; + +endTime 0.2; + +deltaT 1e-5; + +writeControl runTime; + +writeInterval 1e-2; + +purgeWrite 0; + +writeFormat ascii; + +writePrecision 6; + +writeCompression uncompressed; + +timeFormat general; + +timePrecision 10; + +adjustTimeStep yes; + +maxCo 0.75; + +maxDeltaT 0.01; + +runTimeModifiable yes; + +libs +( + "libIAPWSThermo.so" + "libfreesteam.so" + "libfreesteam.so.1.0" +); + + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/system/fvSchemes b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/system/fvSchemes new file mode 100644 index 000000000..3a594c586 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/system/fvSchemes @@ -0,0 +1,75 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object fvSchemes; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +ddtSchemes +{ + default Euler; +} + +gradSchemes +{ + default Gauss linear; + grad(p) Gauss linear; +} + +divSchemes +{ + default Gauss linear; + div(phi,U) Gauss limitedLinearV 1; + div(phid,p) Gauss limitedLinear 1; + div(phiU,p) Gauss linear; + div(phi,h) Gauss limitedLinear 1; + div(phi,k) Gauss limitedLinear 1; + div(phi,epsilon) Gauss limitedLinear 1; + div(phi,R) Gauss limitedLinear 1; + div(phi,omega) Gauss limitedLinear 1; + div((rho*R)) Gauss linear; + div(R) Gauss linear; + div(U) Gauss linear; + div((muEff*dev2(grad(U).T()))) Gauss linear; +} + +laplacianSchemes +{ + default none; + laplacian(muEff,U) Gauss linear corrected; + laplacian(mut,U) Gauss linear corrected; + laplacian(DkEff,k) Gauss linear corrected; + laplacian(DepsilonEff,epsilon) Gauss linear corrected; + laplacian(DREff,R) Gauss linear corrected; + laplacian(DomegaEff,omega) Gauss linear corrected; + laplacian((rho*(1|A(U))),p) Gauss linear corrected; + laplacian(alphaEff,h) Gauss linear corrected; +} + +interpolationSchemes +{ + default linear; +} + +snGradSchemes +{ + default corrected; +} + +fluxRequired +{ + default no; + p ; +} + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/system/fvSolution b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/system/fvSolution new file mode 100755 index 000000000..7a470c4b8 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/cavity_IAPWS97/system/fvSolution @@ -0,0 +1,97 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object fvSolution; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +solvers +{ + +p +{ + solver GAMG; + tolerance 1e-14; + relTol 0.001; + smoother GaussSeidel; + minIter 4; + //maxIter 100; + cacheAgglomeration true; + nPreSweeps 1; + nPostSweeps 3; + nFinestSweeps 3; + nCellsInCoarsestLevel 20; + agglomerator faceAreaPair; + mergeLevels 1; +} + + U + { + solver smoothSolver; + smoother GaussSeidel; + nSweeps 2; + tolerance 1e-14; + relTol 0.001; + } + + rho + { + solver PCG; + preconditioner DIC; + tolerance 1e-10; + relTol 0; + } + + htot + { + solver smoothSolver; + smoother GaussSeidel; + nSweeps 2; + tolerance 1e-14; + relTol 0.001; + } + + h + { + solver smoothSolver; + smoother GaussSeidel; + nSweeps 2; + tolerance 1e-14; + relTol 0.001; + } + + k + { + solver PBiCG; + preconditioner DILU; + tolerance 1e-10; + relTol 0; + } + epsilon + { + solver PBiCG; + preconditioner DILU; + tolerance 1e-10; + relTol 0; + } +} + +PISO +{ + nNonOrthogonalCorrectors 0; + nCorrectors 2; + momentumPredictor yes; +} + + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/t-junction/0/T b/tutorials/compressible/realFluidPisoFoam/ras/t-junction/0/T new file mode 100755 index 000000000..e9ec126c0 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/t-junction/0/T @@ -0,0 +1,48 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object T; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 0 1 0 0 0]; + +internalField uniform 333.15; + +boundaryField +{ + outlet + { + type zeroGradient; + } + + inlet1 + { + type fixedValue; + value uniform 273.15; + } + + inlet2 + { + type fixedValue; + value uniform 333.15; + } + + wall + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/t-junction/0/U b/tutorials/compressible/realFluidPisoFoam/ras/t-junction/0/U new file mode 100644 index 000000000..714cc4465 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/t-junction/0/U @@ -0,0 +1,47 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volVectorField; + object U; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 1 -1 0 0 0 0]; + +internalField uniform (0 0 0); + +boundaryField +{ + outlet + { + type zeroGradient; + } + + inlet1 + { + type fixedValue; + value uniform (0 1 0); + } + + inlet2 + { + type fixedValue; + value uniform (0 -1 0); + } + + wall + { + type fixedValue; + value uniform (0 0 0); + } +} + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/t-junction/0/epsilon b/tutorials/compressible/realFluidPisoFoam/ras/t-junction/0/epsilon new file mode 100644 index 000000000..43e3a5490 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/t-junction/0/epsilon @@ -0,0 +1,58 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object epsilon; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 2 -3 0 0 0 0]; + +internalField uniform 200; + +boundaryField +{ + outlet + { + type inletOutlet; + inletValue uniform 200; + value uniform 200; + } + inlet1 + { + type compressible::turbulentMixingLengthDissipationRateInlet; + mixingLength 0.005; + phi phi; + k k; + value uniform 200; + } + inlet2 + { + type compressible::turbulentMixingLengthDissipationRateInlet; + mixingLength 0.005; + phi phi; + k k; + value uniform 200; + } + wall + { + type compressible::epsilonWallFunction; + refValue uniform 0; + value uniform 200; + Cmu 0.09; + kappa 0.41; + E 9.8; + } +} + + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/t-junction/0/k b/tutorials/compressible/realFluidPisoFoam/ras/t-junction/0/k new file mode 100644 index 000000000..de9f8c5dd --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/t-junction/0/k @@ -0,0 +1,52 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object k; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 2 -2 0 0 0 0]; + +internalField uniform 1; + +boundaryField +{ + outlet + { + type zeroGradient; + } + inlet1 + { + type turbulentIntensityKineticEnergyInlet; + intensity 0.05; + U U; + phi phi; + value uniform 1; + } + inlet2 + { + type turbulentIntensityKineticEnergyInlet; + intensity 0.05; + U U; + phi phi; + value uniform 1; + } + wall + { + type compressible::kqRWallFunction; + value uniform 1; + } +} + + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/t-junction/0/p b/tutorials/compressible/realFluidPisoFoam/ras/t-junction/0/p new file mode 100644 index 000000000..6c0f9da9a --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/t-junction/0/p @@ -0,0 +1,46 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + object p; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -1 -2 0 0 0 0]; + +internalField uniform 80e5; + +boundaryField +{ + outlet + { + type fixedMeanValue; + meanValue 8e6; + value uniform 8e+06; + } + + inlet1 + { + type zeroGradient; + } + + inlet2 + { + type zeroGradient; + } + + wall + { + type zeroGradient; + } +} + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/t-junction/Allrun b/tutorials/compressible/realFluidPisoFoam/ras/t-junction/Allrun new file mode 100755 index 000000000..30b386dfe --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/t-junction/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/realFluidPisoFoam/ras/t-junction/constant/RASProperties b/tutorials/compressible/realFluidPisoFoam/ras/t-junction/constant/RASProperties new file mode 100755 index 000000000..334f83e39 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/t-junction/constant/RASProperties @@ -0,0 +1,25 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object RASProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +RASModel kEpsilon; + +turbulence on; + +printCoeffs on; + + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/t-junction/constant/polyMesh/blockMeshDict b/tutorials/compressible/realFluidPisoFoam/ras/t-junction/constant/polyMesh/blockMeshDict new file mode 100644 index 000000000..ec058b9c8 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/t-junction/constant/polyMesh/blockMeshDict @@ -0,0 +1,144 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + object blockMeshDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +// inlet1 +// +-+ +// | | +// | | +// | | +// | | +// +-----------+ | +// |outlet | +// +-----------+ | +// | | +// | | +// | | +// | | +// +-+ +// inlet2 + +convertToMeters 1; + +vertices +( + (0.0 -0.01 0) //0 + (0.2 -0.01 0) //1 + (0.2 0.01 0) //2 + (0.0 0.01 0) //3 + + (0.22 -0.01 0) //4 + (0.22 0.01 0) //5 + + (0.2 -0.21 0) //6 + (0.22 -0.21 0) //7 + + (0.2 0.21 0) //8 + (0.22 0.21 0) //9 + + // Z + (0.0 -0.01 0.02) //10 + (0.2 -0.01 0.02) + (0.2 0.01 0.02) //12 + (0.0 0.01 0.02) + + (0.22 -0.01 0.02) //14 + (0.22 0.01 0.02) + + (0.2 -0.21 0.02) //16 + (0.22 -0.21 0.02) + + (0.2 0.21 0.02) //18 + (0.22 0.21 0.02) + +); + +blocks +( + // inlet block + hex (0 1 2 3 10 11 12 13) (50 5 5) simpleGrading (1 1 1) + + // central block + hex (1 4 5 2 11 14 15 12) (5 5 5) simpleGrading (1 1 1) + + // bottom block + hex (6 7 4 1 16 17 14 11) (5 50 5) simpleGrading (1 1 1) + + // top block + hex (2 5 9 8 12 15 19 18) (5 50 5) simpleGrading (1 1 1) +); + +edges +( +); + +boundary +( + outlet + { + type patch; + faces + ( + (0 10 13 3) + ); + } + + inlet1 + { + type patch; + faces + ( + (6 7 17 16) + ); + } + + inlet2 + { + type patch; + faces + ( + (8 18 19 9) + ); + } + + wall + { + type wall; + faces + ( + (0 1 2 3) + (10 11 12 13) + (8 2 5 9) + (18 12 15 19) + (1 4 5 2) + (11 14 15 12) + (1 6 7 4) + (11 16 17 14) + (6 16 11 1) + (2 12 18 8) + (3 2 12 13) + (0 1 11 10) + (7 17 14 4) + (4 14 15 5) + (5 15 19 9) + ); + } +); + +mergePatchPairs +( +); + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/t-junction/constant/thermophysicalProperties b/tutorials/compressible/realFluidPisoFoam/ras/t-junction/constant/thermophysicalProperties new file mode 100755 index 000000000..42c9e9125 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/t-junction/constant/thermophysicalProperties @@ -0,0 +1,68 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + + location "constant"; + object thermophysicalProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +//CL: List of possible real gas models + +thermoType realGasHThermo>>>>; +mixture CO2 1 44.01 73.773e5 304.13 49436.5054 -626.411601 5.30172524 0.002503813816 -0.0000002127308728 -0.000000000768998878 2.849677801e-13 1.4792e-06 116; + +//thermoType realGasHThermo>>>>; +//mixture CO2 1 44.01 73.773e5 304.13 0.22394 467.6 49436.5054 -626.411601 5.30172524 0.002503813816 -0.0000002127308728 -0.000000000768998878 2.849677801E-13 1.4792e-06 116; + +//thermoType realGasHThermo>>>>; +//mixture CO2 1 44.01 73.773e5 304.13 0.22394 49436.5054 -626.411601 5.30172524 0.002503813816 -0.0000002127308728 -0.000000000768998878 2.849677801e-13 1.4792e-06 116; + +//thermoType realGasHThermo>>>>; +//mixture CO2 1 44.01 73.773e5 304.13 0.22394 49436.5054 -626.411601 5.30172524 0.002503813816 -0.0000002127308728 -0.000000000768998878 2.849677801e-13 1.4792e-06 116; + + +//thermoType realGasHThermo>>>>; +//mixture CO2 1 44.01 73.773e5 304.13 839 1.4792e-06 116; + +//thermoType realGasHThermo>>>>; + + +//thermoType realGasHThermo>>>>; +//thermoType realGasHThermo>>>>; + +//thermoType realGasHThermo>>>>; +//thermoType realGasHThermo>>>>; +//thermoType realGasHThermo>>>>; +//thermoType realGasHThermo>>>>; +//thermoType realGasHThermo>>>>; +//thermoType realGasHThermo>>>>; +//thermoType realGasHThermo>>>>; +//thermoType realGasHThermo>>>>; + + + +//CL: description of coefficients +// *********************************************************************************************************************** // +// Coefficient: +// CO2 --> Name +// 1 +// 44.01 --> Molar Volume +// 77.773e5 --> critical pressure +// 304.13 --> critical temperatur +// 0.22394 --> acentric factor (not needed for redlich kwong) +// 467.6 --> critical density (only for aungier redlich kwong) +// 49436.5054 --> 2.849677801e-13 --> 7 heat capacity polynomial coefficent's +// .... --> two coefficent's for sutherlandRealGasTransport or for the constRealGasTransport model +// 839 --> perfect gas heat capacity Cp0 (J/kgK), needed for constantHeatCapacity +// *********************************************************************************************************************** // + diff --git a/tutorials/compressible/realFluidPisoFoam/ras/t-junction/constant/turbulenceProperties b/tutorials/compressible/realFluidPisoFoam/ras/t-junction/constant/turbulenceProperties new file mode 100755 index 000000000..11e716e4e --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/t-junction/constant/turbulenceProperties @@ -0,0 +1,20 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object turbulenceProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +simulationType RASModel; + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/t-junction/system/controlDict b/tutorials/compressible/realFluidPisoFoam/ras/t-junction/system/controlDict new file mode 100755 index 000000000..a6f3b2623 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/t-junction/system/controlDict @@ -0,0 +1,55 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object controlDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +application realFluidPisoFoam; + +startFrom latestTime; + +//startTime 0; + +stopAt endTime; + +endTime 0.5; + +deltaT 1e-5; + +writeControl runTime; + +writeInterval 1e-2; + +purgeWrite 0; + +writeFormat ascii; + +writePrecision 6; + +writeCompression uncompressed; + +timeFormat general; + +timePrecision 10; + +adjustTimeStep yes; + +maxCo 0.5; + +maxDeltaT 1e-2; + +runTimeModifiable yes; + + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/t-junction/system/fvSchemes b/tutorials/compressible/realFluidPisoFoam/ras/t-junction/system/fvSchemes new file mode 100644 index 000000000..0088063cb --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/t-junction/system/fvSchemes @@ -0,0 +1,73 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object fvSchemes; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +ddtSchemes +{ + default Euler; +} + +gradSchemes +{ + default Gauss linear; + grad(p) Gauss linear; +} + +divSchemes +{ + default Gauss linear; + div(phi,U) Gauss upwind; + div(phi,h) Gauss upwind; + div(phi,k) Gauss upwind; + div(phi,epsilon) Gauss upwind; + div(phi,R) Gauss limitedLinear 1; + div(phi,omega) Gauss limitedLinear 1; + div((rho*R)) Gauss linear; + div(R) Gauss linear; + div(U) Gauss linear; + div((muEff*dev2(grad(U).T()))) Gauss linear; +} + +laplacianSchemes +{ + default none; + laplacian(muEff,U) Gauss linear corrected; + laplacian(mut,U) Gauss linear corrected; + laplacian(DkEff,k) Gauss linear corrected; + laplacian(DepsilonEff,epsilon) Gauss linear corrected; + laplacian(DREff,R) Gauss linear corrected; + laplacian(DomegaEff,omega) Gauss linear corrected; + laplacian((rho*(1|A(U))),p) Gauss linear corrected; + laplacian(alphaEff,h) Gauss linear corrected; +} + +interpolationSchemes +{ + default linear; +} + +snGradSchemes +{ + default corrected; +} + +fluxRequired +{ + default no; + p ; +} + +// ************************************************************************* // diff --git a/tutorials/compressible/realFluidPisoFoam/ras/t-junction/system/fvSolution b/tutorials/compressible/realFluidPisoFoam/ras/t-junction/system/fvSolution new file mode 100755 index 000000000..59898dbc3 --- /dev/null +++ b/tutorials/compressible/realFluidPisoFoam/ras/t-junction/system/fvSolution @@ -0,0 +1,88 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object fvSolution; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +solvers +{ + +p +{ + solver GAMG; + tolerance 1e-14; + relTol 0.001; + smoother GaussSeidel; + minIter 4; + //maxIter 100; + cacheAgglomeration true; + nPreSweeps 1; + nPostSweeps 3; + nFinestSweeps 3; + nCellsInCoarsestLevel 20; + agglomerator faceAreaPair; + mergeLevels 1; +} + + U + { + solver smoothSolver; + smoother GaussSeidel; + nSweeps 2; + tolerance 1e-14; + relTol 0.001; + } + + rho + { + solver PCG; + preconditioner DIC; + tolerance 1e-10; + relTol 0; + } + + h + { + solver smoothSolver; + smoother GaussSeidel; + nSweeps 2; + tolerance 1e-14; + relTol 0.001; + } + + k + { + solver PBiCG; + preconditioner DILU; + tolerance 1e-10; + relTol 0; + } + epsilon + { + solver PBiCG; + preconditioner DILU; + tolerance 1e-10; + relTol 0; + } +} + +PISO +{ + nNonOrthogonalCorrectors 0; + nCorrectors 1; + momentumPredictor yes; +} + + +// ************************************************************************* // From e40207b6b506d12113e87d982ac509ba0a79be99 Mon Sep 17 00:00:00 2001 From: Hrvoje Jasak Date: Fri, 18 Sep 2015 11:59:39 +0100 Subject: [PATCH 002/597] Windows scotch decomposition build fix --- ThirdParty/mingwBuild/build.sh | 5 +++-- .../mingwBuild/x64/patches/scotch_6.0.4/src/Makefile.inc | 2 +- 2 files changed, 4 insertions(+), 3 deletions(-) diff --git a/ThirdParty/mingwBuild/build.sh b/ThirdParty/mingwBuild/build.sh index a10de7bf9..d095c5443 100644 --- a/ThirdParty/mingwBuild/build.sh +++ b/ThirdParty/mingwBuild/build.sh @@ -151,13 +151,14 @@ build_library() { system) cd $INSTALL_DIR - patch system + patch $PACKAGE ;; pthreads-w32-2-9-1-release) download $PACKAGE.zip ftp://sourceware.org/pub/pthreads-win32/pthreads-w32-2-9-1-release.zip > $LOG_FILE 2>&1 unzip_dir $PACKAGE >> $LOG_FILE 2>&1 patch $PACKAGE + mv $PACKAGE $INSTALL_DIR ;; metis-5.1.0) @@ -222,7 +223,7 @@ build_library() { ;; scotch_6.0.4) - export PTHREADS_HOME=$BUILD_DIR/pthreads-w32-2-9-1-release + export PTHREADS_HOME=$INSTALL_DIR/pthreads-w32-2-9-1-release download $PACKAGE.tar.gz https://gforge.inria.fr/frs/download.php/34618 > $LOG_FILE 2>&1 extract "$PACKAGE.tar.gz" gzip >> $LOG_FILE 2>&1 patch $PACKAGE diff --git a/ThirdParty/mingwBuild/x64/patches/scotch_6.0.4/src/Makefile.inc b/ThirdParty/mingwBuild/x64/patches/scotch_6.0.4/src/Makefile.inc index 69c4c02c0..bfb7e1ca4 100644 --- a/ThirdParty/mingwBuild/x64/patches/scotch_6.0.4/src/Makefile.inc +++ b/ThirdParty/mingwBuild/x64/patches/scotch_6.0.4/src/Makefile.inc @@ -46,7 +46,7 @@ LDFLAGS += -L$(MPI_ROOTDIR)/bin -lm -lmpi -lmpid #PTHREAD_ROOTDIR = $(PGMFILES)/pthread-win32 #CFLAGS_INC += -I$(PTHREAD_ROOTDIR)/include #CLIBFLAGS = -LDFLAGS += -L$(PTHREADS_HOME)/Pre-built.2/lib/x64 -lpthread +LDFLAGS += -L$(PTHREADS_HOME)/Pre-built.2/lib/x64 -lpthreadGC2 #--- zlib: Uncomment for compressed files #ZLIB_ROOTDIR = $(PGMFILES)/zlib-1.2.3 From 09c8c55ed2a1f999dc2d967c5aad0e743ee5aa49 Mon Sep 17 00:00:00 2001 From: Hrvoje Jasak Date: Fri, 18 Sep 2015 12:03:07 +0100 Subject: [PATCH 003/597] Bugfix: Fixed corrupted point field on stitch --- .../triSurface/triSurface/stitchTriangles.C | 32 +++++++++++-------- 1 file changed, 18 insertions(+), 14 deletions(-) diff --git a/src/meshTools/triSurface/triSurface/stitchTriangles.C b/src/meshTools/triSurface/triSurface/stitchTriangles.C index b5c329b45..65f0fea28 100644 --- a/src/meshTools/triSurface/triSurface/stitchTriangles.C +++ b/src/meshTools/triSurface/triSurface/stitchTriangles.C @@ -46,17 +46,12 @@ bool triSurface::stitchTriangles pointField newPoints; bool hasMerged = mergePoints(rawPoints, tol, verbose, pointMap, newPoints); - pointField& ps = storedPoints(); - - // Set the coordinates to the merged ones - ps.transfer(newPoints); - if (hasMerged) { if (verbose) { Pout<< "stitchTriangles : Merged from " << rawPoints.size() - << " points down to " << ps.size() << endl; + << " points down to " << newPoints.size() << endl; } // Reset the triangle point labels to the unique points array @@ -72,7 +67,12 @@ bool triSurface::stitchTriangles tri.region() ); - if ((newTri[0] != newTri[1]) && (newTri[0] != newTri[2]) && (newTri[1] != newTri[2])) + if + ( + (newTri[0] != newTri[1]) + && (newTri[0] != newTri[2]) + && (newTri[1] != newTri[2]) + ) { operator[](newTriangleI++) = newTri; } @@ -82,11 +82,12 @@ bool triSurface::stitchTriangles << "Removing triangle " << i << " with non-unique vertices." << endl << " vertices :" << newTri << endl - << " coordinates:" << newTri.points(ps) + << " coordinates:" << newTri.points(newPoints) << endl; } } + // If empty triangles are detected, remove them from the list if (newTriangleI != size()) { if (verbose) @@ -97,12 +98,12 @@ bool triSurface::stitchTriangles } setSize(newTriangleI); - // And possibly compact out any unused points (since used only + // Possibly compact out any unused points (since used only // by triangles that have just been deleted) // Done in two passes to save memory (pointField) // 1. Detect only - PackedBoolList pointIsUsed(ps.size()); + PackedBoolList pointIsUsed(newPoints.size()); label nPoints = 0; @@ -120,20 +121,20 @@ bool triSurface::stitchTriangles } } - if (nPoints != ps.size()) + if (nPoints != newPoints.size()) { // 2. Compact. - pointMap.setSize(ps.size()); + pointMap.setSize(newPoints.size()); label newPointI = 0; forAll(pointIsUsed, pointI) { if (pointIsUsed[pointI]) { - ps[newPointI] = ps[pointI]; + newPoints[newPointI] = newPoints[pointI]; pointMap[pointI] = newPointI++; } } - ps.setSize(newPointI); + newPoints.setSize(newPointI); newTriangleI = 0; forAll(*this, i) @@ -149,6 +150,9 @@ bool triSurface::stitchTriangles } } } + + // Set the coordinates to the merged ones + storedPoints().transfer(newPoints); } return hasMerged; From 67bc2639e1ab7f7354a2da98de3b6bd6b35c1be2 Mon Sep 17 00:00:00 2001 From: Hrvoje Jasak Date: Fri, 18 Sep 2015 12:04:47 +0100 Subject: [PATCH 004/597] Clean-up and formatting --- src/meshTools/searchableSurface/triSurfaceMesh.H | 4 +++- .../booleanOps/booleanSurface/booleanSurface.H | 3 ++- .../triSurface/orientedSurface/orientedSurface.H | 10 +++++++--- .../triSurface/treeDataTriSurface/treeDataTriSurface.C | 4 ++-- .../triSurface/treeDataTriSurface/treeDataTriSurface.H | 3 ++- .../triSurface/triSurfaceSearch/triSurfaceSearch.C | 7 +++++-- 6 files changed, 21 insertions(+), 10 deletions(-) diff --git a/src/meshTools/searchableSurface/triSurfaceMesh.H b/src/meshTools/searchableSurface/triSurfaceMesh.H index a9825900e..e81d30a25 100644 --- a/src/meshTools/searchableSurface/triSurfaceMesh.H +++ b/src/meshTools/searchableSurface/triSurfaceMesh.H @@ -249,6 +249,7 @@ public: List& ) const; + // Other //- Set bounds of surface. Bounds currently set as list of @@ -271,7 +272,8 @@ public: // indices) get the specified field. Misses do not get set. virtual void getField ( - const List&, labelList& + const List&, + labelList& ) const; diff --git a/src/meshTools/triSurface/booleanOps/booleanSurface/booleanSurface.H b/src/meshTools/triSurface/booleanOps/booleanSurface/booleanSurface.H index fb46a2979..4d8463f6c 100644 --- a/src/meshTools/triSurface/booleanOps/booleanSurface/booleanSurface.H +++ b/src/meshTools/triSurface/booleanOps/booleanSurface/booleanSurface.H @@ -25,7 +25,8 @@ Class Foam::booleanSurface Description - Surface-surface intersection. Given two surfaces construct combined surface. + Surface-surface intersection. + Given two surfaces construct a combined surface. Called 'boolean' since the volume of resulting surface will encompass the volumes of the original surface according to some boolean operation: diff --git a/src/meshTools/triSurface/orientedSurface/orientedSurface.H b/src/meshTools/triSurface/orientedSurface/orientedSurface.H index d685fa3bb..3e39b30d7 100644 --- a/src/meshTools/triSurface/orientedSurface/orientedSurface.H +++ b/src/meshTools/triSurface/orientedSurface/orientedSurface.H @@ -46,7 +46,7 @@ namespace Foam // Forward declaration of classes /*---------------------------------------------------------------------------*\ - Class orientedSurface Declaration + Class orientedSurface Declaration \*---------------------------------------------------------------------------*/ class orientedSurface @@ -148,8 +148,12 @@ public: //- Flip faces such that normals are consistent with point: // orientOutside=true : point outside surface // orientOutside=false : point inside surface - static bool orient(triSurface&, const point&, const bool orientOutside); - + static bool orient + ( + triSurface&, + const point&, + const bool orientOutside + ); }; diff --git a/src/meshTools/triSurface/triSurface/treeDataTriSurface/treeDataTriSurface.C b/src/meshTools/triSurface/triSurface/treeDataTriSurface/treeDataTriSurface.C index 709918323..218dd5cb0 100644 --- a/src/meshTools/triSurface/triSurface/treeDataTriSurface/treeDataTriSurface.C +++ b/src/meshTools/triSurface/triSurface/treeDataTriSurface/treeDataTriSurface.C @@ -216,8 +216,8 @@ Foam::label Foam::treeDataTriSurface::getVolumeType sample, max ( - Foam::sqr(GREAT), - Foam::magSqr(treeBb.span()) + sqr(GREAT), + magSqr(treeBb.span()) ) ); diff --git a/src/meshTools/triSurface/triSurface/treeDataTriSurface/treeDataTriSurface.H b/src/meshTools/triSurface/triSurface/treeDataTriSurface/treeDataTriSurface.H index beb41ddbf..610c5950f 100644 --- a/src/meshTools/triSurface/triSurface/treeDataTriSurface/treeDataTriSurface.H +++ b/src/meshTools/triSurface/triSurface/treeDataTriSurface/treeDataTriSurface.H @@ -108,7 +108,8 @@ public: // Search - //- Get type (inside,outside,mixed,unknown) of point w.r.t. surface. + //- Get type (inside, outside, mixed, unknown) of point + // with respect to a surface. // Only makes sense for closed surfaces. label getVolumeType ( diff --git a/src/meshTools/triSurface/triSurfaceSearch/triSurfaceSearch.C b/src/meshTools/triSurface/triSurfaceSearch/triSurfaceSearch.C index bf6d8dd33..092bdb7af 100644 --- a/src/meshTools/triSurface/triSurfaceSearch/triSurfaceSearch.C +++ b/src/meshTools/triSurface/triSurfaceSearch/triSurfaceSearch.C @@ -174,8 +174,11 @@ tmp triSurfaceSearch::calcNearest } -pointIndexHit triSurfaceSearch::nearest(const point& pt, const vector& span) - const +pointIndexHit triSurfaceSearch::nearest +( + const point& pt, + const vector& span +) const { const scalar nearestDistSqr = 0.25*magSqr(span); From e22b7afdfe887197afee9b3f51cbec204bd4fc4e Mon Sep 17 00:00:00 2001 From: Hrvoje Jasak Date: Fri, 18 Sep 2015 12:19:45 +0100 Subject: [PATCH 005/597] Bugfix: Windows scotch compilation --- etc/prefs.sh.mingw | 2 +- src/decompositionMethods/scotchDecomp/Make/options | 1 + 2 files changed, 2 insertions(+), 1 deletion(-) diff --git a/etc/prefs.sh.mingw b/etc/prefs.sh.mingw index acafa9304..2190e1933 100644 --- a/etc/prefs.sh.mingw +++ b/etc/prefs.sh.mingw @@ -105,7 +105,7 @@ export PARMGRIDGEN_INCLUDE_DIR=$PARMGRIDGEN_DIR/include # System installed Scotch #export SCOTCH_SYSTEM=1 -export SCOTCH_DIR=$WM_THIRD_PARTY_DIR/packages/scotch_6.0.0 +export SCOTCH_DIR=$WM_THIRD_PARTY_DIR/packages/scotch_6.0.4 export SCOTCH_BIN_DIR=$SCOTCH_DIR/bin export SCOTCH_LIB_DIR=$SCOTCH_DIR/lib export SCOTCH_INCLUDE_DIR=$SCOTCH_DIR/include diff --git a/src/decompositionMethods/scotchDecomp/Make/options b/src/decompositionMethods/scotchDecomp/Make/options index 3ac7982b4..5092e51cb 100644 --- a/src/decompositionMethods/scotchDecomp/Make/options +++ b/src/decompositionMethods/scotchDecomp/Make/options @@ -17,6 +17,7 @@ LIB_LIBS = \ -ldecompositionMethods \ -L$(SCOTCH_LIB_DIR) -lscotch \ -L$(SCOTCH_LIB_DIR) -lscotcherrexit \ + -L$(WM_THIRD_PARTY_DIR)/packages/pthreads-w32-2-9-1-release/Pre-built.2/lib/x64 -lpthreadGC2 \ -L$(OPENMPI_DIR)/lib -lmpi #else From e1b0c3361176737b9332e9c4bc5e6be8ddad9f93 Mon Sep 17 00:00:00 2001 From: Hrvoje Jasak Date: Fri, 18 Sep 2015 11:59:39 +0100 Subject: [PATCH 006/597] Windows scotch decomposition build fix --- ThirdParty/mingwBuild/build.sh | 5 +++-- .../mingwBuild/x64/patches/scotch_6.0.4/src/Makefile.inc | 2 +- 2 files changed, 4 insertions(+), 3 deletions(-) diff --git a/ThirdParty/mingwBuild/build.sh b/ThirdParty/mingwBuild/build.sh index a10de7bf9..d095c5443 100644 --- a/ThirdParty/mingwBuild/build.sh +++ b/ThirdParty/mingwBuild/build.sh @@ -151,13 +151,14 @@ build_library() { system) cd $INSTALL_DIR - patch system + patch $PACKAGE ;; pthreads-w32-2-9-1-release) download $PACKAGE.zip ftp://sourceware.org/pub/pthreads-win32/pthreads-w32-2-9-1-release.zip > $LOG_FILE 2>&1 unzip_dir $PACKAGE >> $LOG_FILE 2>&1 patch $PACKAGE + mv $PACKAGE $INSTALL_DIR ;; metis-5.1.0) @@ -222,7 +223,7 @@ build_library() { ;; scotch_6.0.4) - export PTHREADS_HOME=$BUILD_DIR/pthreads-w32-2-9-1-release + export PTHREADS_HOME=$INSTALL_DIR/pthreads-w32-2-9-1-release download $PACKAGE.tar.gz https://gforge.inria.fr/frs/download.php/34618 > $LOG_FILE 2>&1 extract "$PACKAGE.tar.gz" gzip >> $LOG_FILE 2>&1 patch $PACKAGE diff --git a/ThirdParty/mingwBuild/x64/patches/scotch_6.0.4/src/Makefile.inc b/ThirdParty/mingwBuild/x64/patches/scotch_6.0.4/src/Makefile.inc index 69c4c02c0..bfb7e1ca4 100644 --- a/ThirdParty/mingwBuild/x64/patches/scotch_6.0.4/src/Makefile.inc +++ b/ThirdParty/mingwBuild/x64/patches/scotch_6.0.4/src/Makefile.inc @@ -46,7 +46,7 @@ LDFLAGS += -L$(MPI_ROOTDIR)/bin -lm -lmpi -lmpid #PTHREAD_ROOTDIR = $(PGMFILES)/pthread-win32 #CFLAGS_INC += -I$(PTHREAD_ROOTDIR)/include #CLIBFLAGS = -LDFLAGS += -L$(PTHREADS_HOME)/Pre-built.2/lib/x64 -lpthread +LDFLAGS += -L$(PTHREADS_HOME)/Pre-built.2/lib/x64 -lpthreadGC2 #--- zlib: Uncomment for compressed files #ZLIB_ROOTDIR = $(PGMFILES)/zlib-1.2.3 From 9e29f21409202d99d857b3f3ff3ea387d8457e12 Mon Sep 17 00:00:00 2001 From: Hrvoje Jasak Date: Fri, 18 Sep 2015 12:03:07 +0100 Subject: [PATCH 007/597] Bugfix: Fixed corrupted point field on stitch --- .../triSurface/triSurface/stitchTriangles.C | 32 +++++++++++-------- 1 file changed, 18 insertions(+), 14 deletions(-) diff --git a/src/meshTools/triSurface/triSurface/stitchTriangles.C b/src/meshTools/triSurface/triSurface/stitchTriangles.C index b5c329b45..65f0fea28 100644 --- a/src/meshTools/triSurface/triSurface/stitchTriangles.C +++ b/src/meshTools/triSurface/triSurface/stitchTriangles.C @@ -46,17 +46,12 @@ bool triSurface::stitchTriangles pointField newPoints; bool hasMerged = mergePoints(rawPoints, tol, verbose, pointMap, newPoints); - pointField& ps = storedPoints(); - - // Set the coordinates to the merged ones - ps.transfer(newPoints); - if (hasMerged) { if (verbose) { Pout<< "stitchTriangles : Merged from " << rawPoints.size() - << " points down to " << ps.size() << endl; + << " points down to " << newPoints.size() << endl; } // Reset the triangle point labels to the unique points array @@ -72,7 +67,12 @@ bool triSurface::stitchTriangles tri.region() ); - if ((newTri[0] != newTri[1]) && (newTri[0] != newTri[2]) && (newTri[1] != newTri[2])) + if + ( + (newTri[0] != newTri[1]) + && (newTri[0] != newTri[2]) + && (newTri[1] != newTri[2]) + ) { operator[](newTriangleI++) = newTri; } @@ -82,11 +82,12 @@ bool triSurface::stitchTriangles << "Removing triangle " << i << " with non-unique vertices." << endl << " vertices :" << newTri << endl - << " coordinates:" << newTri.points(ps) + << " coordinates:" << newTri.points(newPoints) << endl; } } + // If empty triangles are detected, remove them from the list if (newTriangleI != size()) { if (verbose) @@ -97,12 +98,12 @@ bool triSurface::stitchTriangles } setSize(newTriangleI); - // And possibly compact out any unused points (since used only + // Possibly compact out any unused points (since used only // by triangles that have just been deleted) // Done in two passes to save memory (pointField) // 1. Detect only - PackedBoolList pointIsUsed(ps.size()); + PackedBoolList pointIsUsed(newPoints.size()); label nPoints = 0; @@ -120,20 +121,20 @@ bool triSurface::stitchTriangles } } - if (nPoints != ps.size()) + if (nPoints != newPoints.size()) { // 2. Compact. - pointMap.setSize(ps.size()); + pointMap.setSize(newPoints.size()); label newPointI = 0; forAll(pointIsUsed, pointI) { if (pointIsUsed[pointI]) { - ps[newPointI] = ps[pointI]; + newPoints[newPointI] = newPoints[pointI]; pointMap[pointI] = newPointI++; } } - ps.setSize(newPointI); + newPoints.setSize(newPointI); newTriangleI = 0; forAll(*this, i) @@ -149,6 +150,9 @@ bool triSurface::stitchTriangles } } } + + // Set the coordinates to the merged ones + storedPoints().transfer(newPoints); } return hasMerged; From f6cbf149e749ce56fba6853a931265196d10c287 Mon Sep 17 00:00:00 2001 From: Hrvoje Jasak Date: Fri, 18 Sep 2015 12:04:47 +0100 Subject: [PATCH 008/597] Clean-up and formatting --- src/meshTools/searchableSurface/triSurfaceMesh.H | 4 +++- .../booleanOps/booleanSurface/booleanSurface.H | 3 ++- .../triSurface/orientedSurface/orientedSurface.H | 10 +++++++--- .../triSurface/treeDataTriSurface/treeDataTriSurface.C | 4 ++-- .../triSurface/treeDataTriSurface/treeDataTriSurface.H | 3 ++- .../triSurface/triSurfaceSearch/triSurfaceSearch.C | 7 +++++-- 6 files changed, 21 insertions(+), 10 deletions(-) diff --git a/src/meshTools/searchableSurface/triSurfaceMesh.H b/src/meshTools/searchableSurface/triSurfaceMesh.H index a9825900e..e81d30a25 100644 --- a/src/meshTools/searchableSurface/triSurfaceMesh.H +++ b/src/meshTools/searchableSurface/triSurfaceMesh.H @@ -249,6 +249,7 @@ public: List& ) const; + // Other //- Set bounds of surface. Bounds currently set as list of @@ -271,7 +272,8 @@ public: // indices) get the specified field. Misses do not get set. virtual void getField ( - const List&, labelList& + const List&, + labelList& ) const; diff --git a/src/meshTools/triSurface/booleanOps/booleanSurface/booleanSurface.H b/src/meshTools/triSurface/booleanOps/booleanSurface/booleanSurface.H index fb46a2979..4d8463f6c 100644 --- a/src/meshTools/triSurface/booleanOps/booleanSurface/booleanSurface.H +++ b/src/meshTools/triSurface/booleanOps/booleanSurface/booleanSurface.H @@ -25,7 +25,8 @@ Class Foam::booleanSurface Description - Surface-surface intersection. Given two surfaces construct combined surface. + Surface-surface intersection. + Given two surfaces construct a combined surface. Called 'boolean' since the volume of resulting surface will encompass the volumes of the original surface according to some boolean operation: diff --git a/src/meshTools/triSurface/orientedSurface/orientedSurface.H b/src/meshTools/triSurface/orientedSurface/orientedSurface.H index d685fa3bb..3e39b30d7 100644 --- a/src/meshTools/triSurface/orientedSurface/orientedSurface.H +++ b/src/meshTools/triSurface/orientedSurface/orientedSurface.H @@ -46,7 +46,7 @@ namespace Foam // Forward declaration of classes /*---------------------------------------------------------------------------*\ - Class orientedSurface Declaration + Class orientedSurface Declaration \*---------------------------------------------------------------------------*/ class orientedSurface @@ -148,8 +148,12 @@ public: //- Flip faces such that normals are consistent with point: // orientOutside=true : point outside surface // orientOutside=false : point inside surface - static bool orient(triSurface&, const point&, const bool orientOutside); - + static bool orient + ( + triSurface&, + const point&, + const bool orientOutside + ); }; diff --git a/src/meshTools/triSurface/triSurface/treeDataTriSurface/treeDataTriSurface.C b/src/meshTools/triSurface/triSurface/treeDataTriSurface/treeDataTriSurface.C index 709918323..218dd5cb0 100644 --- a/src/meshTools/triSurface/triSurface/treeDataTriSurface/treeDataTriSurface.C +++ b/src/meshTools/triSurface/triSurface/treeDataTriSurface/treeDataTriSurface.C @@ -216,8 +216,8 @@ Foam::label Foam::treeDataTriSurface::getVolumeType sample, max ( - Foam::sqr(GREAT), - Foam::magSqr(treeBb.span()) + sqr(GREAT), + magSqr(treeBb.span()) ) ); diff --git a/src/meshTools/triSurface/triSurface/treeDataTriSurface/treeDataTriSurface.H b/src/meshTools/triSurface/triSurface/treeDataTriSurface/treeDataTriSurface.H index beb41ddbf..610c5950f 100644 --- a/src/meshTools/triSurface/triSurface/treeDataTriSurface/treeDataTriSurface.H +++ b/src/meshTools/triSurface/triSurface/treeDataTriSurface/treeDataTriSurface.H @@ -108,7 +108,8 @@ public: // Search - //- Get type (inside,outside,mixed,unknown) of point w.r.t. surface. + //- Get type (inside, outside, mixed, unknown) of point + // with respect to a surface. // Only makes sense for closed surfaces. label getVolumeType ( diff --git a/src/meshTools/triSurface/triSurfaceSearch/triSurfaceSearch.C b/src/meshTools/triSurface/triSurfaceSearch/triSurfaceSearch.C index bf6d8dd33..092bdb7af 100644 --- a/src/meshTools/triSurface/triSurfaceSearch/triSurfaceSearch.C +++ b/src/meshTools/triSurface/triSurfaceSearch/triSurfaceSearch.C @@ -174,8 +174,11 @@ tmp triSurfaceSearch::calcNearest } -pointIndexHit triSurfaceSearch::nearest(const point& pt, const vector& span) - const +pointIndexHit triSurfaceSearch::nearest +( + const point& pt, + const vector& span +) const { const scalar nearestDistSqr = 0.25*magSqr(span); From 6e02cac360b068947bcecb3d7172ee6121cc9717 Mon Sep 17 00:00:00 2001 From: Hrvoje Jasak Date: Fri, 18 Sep 2015 12:19:45 +0100 Subject: [PATCH 009/597] Bugfix: Windows scotch compilation --- etc/prefs.sh.mingw | 2 +- src/decompositionMethods/scotchDecomp/Make/options | 1 + 2 files changed, 2 insertions(+), 1 deletion(-) diff --git a/etc/prefs.sh.mingw b/etc/prefs.sh.mingw index acafa9304..2190e1933 100644 --- a/etc/prefs.sh.mingw +++ b/etc/prefs.sh.mingw @@ -105,7 +105,7 @@ export PARMGRIDGEN_INCLUDE_DIR=$PARMGRIDGEN_DIR/include # System installed Scotch #export SCOTCH_SYSTEM=1 -export SCOTCH_DIR=$WM_THIRD_PARTY_DIR/packages/scotch_6.0.0 +export SCOTCH_DIR=$WM_THIRD_PARTY_DIR/packages/scotch_6.0.4 export SCOTCH_BIN_DIR=$SCOTCH_DIR/bin export SCOTCH_LIB_DIR=$SCOTCH_DIR/lib export SCOTCH_INCLUDE_DIR=$SCOTCH_DIR/include diff --git a/src/decompositionMethods/scotchDecomp/Make/options b/src/decompositionMethods/scotchDecomp/Make/options index 3ac7982b4..5092e51cb 100644 --- a/src/decompositionMethods/scotchDecomp/Make/options +++ b/src/decompositionMethods/scotchDecomp/Make/options @@ -17,6 +17,7 @@ LIB_LIBS = \ -ldecompositionMethods \ -L$(SCOTCH_LIB_DIR) -lscotch \ -L$(SCOTCH_LIB_DIR) -lscotcherrexit \ + -L$(WM_THIRD_PARTY_DIR)/packages/pthreads-w32-2-9-1-release/Pre-built.2/lib/x64 -lpthreadGC2 \ -L$(OPENMPI_DIR)/lib -lmpi #else From 807f31fa518df3693851cc9033438b2c4bd81c5c Mon Sep 17 00:00:00 2001 From: Hrvoje Jasak Date: Wed, 23 Sep 2015 09:43:39 +0100 Subject: [PATCH 010/597] Added Vuko Vukcevic --- ListOfContributors | 1 + 1 file changed, 1 insertion(+) diff --git a/ListOfContributors b/ListOfContributors index 67af9073d..e8a42c1b1 100644 --- a/ListOfContributors +++ b/ListOfContributors @@ -85,3 +85,4 @@ Contents: Alexander Vakhrushev Inno Gatin Alexey Matveichev + Vuko Vukcevic From 8a6332d6316ca2cadd3935a854b7d728c661c777 Mon Sep 17 00:00:00 2001 From: Hrvoje Jasak Date: Wed, 23 Sep 2015 09:43:57 +0100 Subject: [PATCH 011/597] Silent clean-up --- tutorials/mesh/cfMesh/pMesh/multipleOrifices/Allclean | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tutorials/mesh/cfMesh/pMesh/multipleOrifices/Allclean b/tutorials/mesh/cfMesh/pMesh/multipleOrifices/Allclean index 9c7a965cc..4edd8413a 100755 --- a/tutorials/mesh/cfMesh/pMesh/multipleOrifices/Allclean +++ b/tutorials/mesh/cfMesh/pMesh/multipleOrifices/Allclean @@ -4,4 +4,4 @@ . $WM_PROJECT_DIR/bin/tools/CleanFunctions cleanCase -rm -r constant/polyMesh +\rm -rf constant/polyMesh From 57d8f598c424225c6d93c4811f9335abc0326c0a Mon Sep 17 00:00:00 2001 From: Hrvoje Jasak Date: Thu, 19 Jun 2014 19:54:41 +0100 Subject: [PATCH 012/597] Draft for next release notes --- DraftReleaseNotes-nextRelease | 7 +++++++ 1 file changed, 7 insertions(+) create mode 100644 DraftReleaseNotes-nextRelease diff --git a/DraftReleaseNotes-nextRelease b/DraftReleaseNotes-nextRelease new file mode 100644 index 000000000..ec6de9652 --- /dev/null +++ b/DraftReleaseNotes-nextRelease @@ -0,0 +1,7 @@ +New features: +- merged cfMesh contribution: Franjo Juretic + + +Bug fixes: +- fixed precunfigured mixing plane boundary files +- added 0 directories to cfMesh tutorials From 5c260e911501c475d286000523c17d3027a6474a Mon Sep 17 00:00:00 2001 From: Hrvoje Jasak Date: Tue, 27 Jan 2015 12:12:53 +0000 Subject: [PATCH 013/597] Formatting Conflicts: applications/solvers/basic/potentialDyMFoam/potentialDyMFoam.C --- applications/solvers/compressible/sonicDyMFoam/sonicDyMFoam.C | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/applications/solvers/compressible/sonicDyMFoam/sonicDyMFoam.C b/applications/solvers/compressible/sonicDyMFoam/sonicDyMFoam.C index cf821dbc4..5f4bf526e 100644 --- a/applications/solvers/compressible/sonicDyMFoam/sonicDyMFoam.C +++ b/applications/solvers/compressible/sonicDyMFoam/sonicDyMFoam.C @@ -70,7 +70,7 @@ int main(int argc, char *argv[]) # include "setDeltaT.H" runTime++; - + Info<< "deltaT = " << runTime.deltaT().value() << nl << endl; Info<< "Time = " << runTime.timeName() << nl << endl; bool meshChanged = mesh.update(); From 239cb5d376bb1420de3fbd816eb89e8c3f8be568 Mon Sep 17 00:00:00 2001 From: Vuko Vukcevic Date: Wed, 20 May 2015 12:26:21 +0200 Subject: [PATCH 014/597] Removed bPrime update on reverseSweep in symGaussSeidel preconditioner --- .../symGaussSeidelPrecon/symGaussSeidelPrecon.C | 13 ++----------- 1 file changed, 2 insertions(+), 11 deletions(-) diff --git a/src/lduSolvers/lduPrecon/symGaussSeidelPrecon/symGaussSeidelPrecon.C b/src/lduSolvers/lduPrecon/symGaussSeidelPrecon/symGaussSeidelPrecon.C index 4f77a8e27..5b58b998c 100644 --- a/src/lduSolvers/lduPrecon/symGaussSeidelPrecon/symGaussSeidelPrecon.C +++ b/src/lduSolvers/lduPrecon/symGaussSeidelPrecon/symGaussSeidelPrecon.C @@ -203,11 +203,7 @@ void Foam::symGaussSeidelPrecon::precondition // Finish current x curX /= diagPtr[rowI]; - // Distribute the neighbour side using current x - for (register label curCoeff = fStart; curCoeff < fEnd; curCoeff++) - { - bPrimePtr[uPtr[curCoeff]] -= lowerPtr[curCoeff]*curX; - } + // No need to update bPrime on reverse sweep. VV, 20/May/2015. } } } @@ -325,12 +321,7 @@ void Foam::symGaussSeidelPrecon::preconditionT // Finish current x curX /= diagPtr[rowI]; - // Distribute the neighbour side using current x - for (register label curCoeff = fStart; curCoeff < fEnd; curCoeff++) - { - // Transpose multiplication. HJ, 10/Jul/2007 - bPrimePtr[uPtr[curCoeff]] -= upperPtr[curCoeff]*curX; - } + // No need to update bPrime on reverse sweep. VV, 20/May/2015. } } } From 2fef5659ceef2938db7d39dde7bc58018e408f7b Mon Sep 17 00:00:00 2001 From: Vuko Vukcevic Date: Fri, 12 Jun 2015 08:28:07 +0200 Subject: [PATCH 015/597] Crout ILU0 algorithm: preparation for ILU1 --- src/lduSolvers/Make/files | 2 + src/lduSolvers/lduPrecon/ILUC0/ILUC0.C | 423 +++++++++++++++++++++++++ src/lduSolvers/lduPrecon/ILUC0/ILUC0.H | 154 +++++++++ 3 files changed, 579 insertions(+) create mode 100644 src/lduSolvers/lduPrecon/ILUC0/ILUC0.C create mode 100644 src/lduSolvers/lduPrecon/ILUC0/ILUC0.H diff --git a/src/lduSolvers/Make/files b/src/lduSolvers/Make/files index 7d891ced3..ecc549233 100644 --- a/src/lduSolvers/Make/files +++ b/src/lduSolvers/Make/files @@ -4,6 +4,7 @@ crMatrix/crMatrix.C lduPrecon = lduPrecon $(lduPrecon)/CholeskyPrecon/CholeskyPrecon.C $(lduPrecon)/ILU0/ILU0.C +$(lduPrecon)/ILUC0/ILUC0.C $(lduPrecon)/symGaussSeidelPrecon/symGaussSeidelPrecon.C $(lduPrecon)/amgPrecon/amgPrecon.C @@ -30,5 +31,6 @@ $(amg)/coarseAmgLevel.C amgPolicy = $(amg)/amgPolicy $(amgPolicy)/amgPolicy.C $(amgPolicy)/pamgPolicy.C +$(amgPolicy)/aamgPolicy.C LIB = $(FOAM_LIBBIN)/liblduSolvers diff --git a/src/lduSolvers/lduPrecon/ILUC0/ILUC0.C b/src/lduSolvers/lduPrecon/ILUC0/ILUC0.C new file mode 100644 index 000000000..b8ced45e7 --- /dev/null +++ b/src/lduSolvers/lduPrecon/ILUC0/ILUC0.C @@ -0,0 +1,423 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +------------------------------------------------------------------------------- +License + This file is part of foam-extend. + + foam-extend is free software: you can redistribute it and/or modify it + under the terms of the GNU General Public License as published by the + Free Software Foundation, either version 3 of the License, or (at your + option) any later version. + + foam-extend is distributed in the hope that it will be useful, but + WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + General Public License for more details. + + You should have received a copy of the GNU General Public License + along with foam-extend. If not, see . + +Class + ILUC0 + +Description + ILU preconditioning without fill in based on Crout algorithm. L and U are + calculated and stored. + + Reference: Saad, Y.: Iterative Methods for Sparse Linear Systems (2nd + Edition), SIAM, 2003. + +Author + Vuko Vukcevic, FMENA Zagreb. All rights reserved + +\*---------------------------------------------------------------------------*/ + +#include "ILUC0.H" +#include "addToRunTimeSelectionTable.H" + +// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * // + +namespace Foam +{ + defineTypeNameAndDebug(ILUC0, 0); + + lduPreconditioner:: + addasymMatrixConstructorToTable + addILUC0ditionerAsymMatrixConstructorToTable_; +} + + +// * * * * * * * * * * * * * Private Member Functions * * * * * * * * * * * // + + +void Foam::ILUC0::calcFactorization() +{ + if (!matrix_.diagonal()) + { + // Get necessary const access to matrix addressing + const lduAddressing& addr = matrix_.lduAddr(); + + // Get upper/lower addressing + const label* const __restrict__ uPtr = addr.upperAddr().begin(); + const label* const __restrict__ lPtr = addr.lowerAddr().begin(); + + // Get owner start addressing + const label* const __restrict__ ownStartPtr = + addr.ownerStartAddr().begin(); + + // Get losort and losort start addressing + const label* const __restrict__ lsrPtr = addr.losortAddr().begin(); + const label* const __restrict__ lsrStartPtr = + addr.losortStartAddr().begin(); + + // Get access to factored matrix entries + scalar* __restrict__ diagPtr = preconDiag_.begin(); + scalar* __restrict__ upperPtr = preconUpper_.begin(); + scalar* __restrict__ lowerPtr = preconLower_.begin(); + + // Get access to working fields + scalar* __restrict__ zPtr = z_.begin(); + scalar* __restrict__ wPtr = w_.begin(); + + // Get number of rows + const label nRows = preconDiag_.size(); + + // Define start and end face of this row/column, and number of nonzero + // off diagonal entries + register label fStart, fEnd, fLsrStart, fLsrEnd; + + // Crout LU factorization + + // Row by row loop (k - loop). + for (register label rowI = 0; rowI < nRows; ++rowI) + { + // Start and end of k-th row (upper) and k-th column (lower) + fStart = ownStartPtr[rowI]; + fEnd = ownStartPtr[rowI + 1]; + + // Initialize temporary working diagonal + zDiag_ = diagPtr[rowI]; + + // Initialize temporary working row field + for (register label faceI = fStart; faceI < fEnd; ++faceI) + { + // Note: z addressed by neighbour of face (column index for + // upper) + zPtr[uPtr[faceI]] = upperPtr[faceI]; + } + + // Start and end of k-th row (lower) and k-th column (upper) + fLsrStart = lsrStartPtr[rowI]; + fLsrEnd = lsrStartPtr[rowI + 1]; + + // Lower coeff loop (first i - loop) + for + ( + register label faceLsrI = fLsrStart; + faceLsrI < fLsrEnd; + ++faceLsrI + ) + { + // Get losort coefficient for this face + const register label losortCoeff = lsrPtr[faceLsrI]; + + // Get corresponding row index for upper (i label) + const label i = lPtr[losortCoeff]; + + // Update diagonal + zDiag_ -= lowerPtr[losortCoeff]*upperPtr[losortCoeff]; + + // Get end of row for cell i + const register label fEndRowi = ownStartPtr[i + 1]; + + // Upper coeff loop (additional loop to avoid checking the + // existence of certain upper coeffs) + for + ( + // Diagonal is already updated (losortCoeff + 1 = start) + register label faceI = losortCoeff + 1; + faceI < fEndRowi; + ++faceI + ) + { + // Note: z addressed by neighbour of face (column index for + // upper) + zPtr[uPtr[faceI]] -= lowerPtr[losortCoeff]*upperPtr[faceI]; + } + } + + for (register label faceI = fStart; faceI < fEnd; ++faceI) + { + // Note: w addressed by neighbour of face (row index for lower) + wPtr[uPtr[faceI]] = lowerPtr[faceI]; + } + + // Upper coeff loop (second i - loop) + for + ( + register label faceLsrI = fLsrStart; + faceLsrI < fLsrEnd; + ++faceLsrI + ) + { + // Get losort coefficient for this face + const register label losortCoeff = lsrPtr[faceLsrI]; + + // Get corresponding column index for lower (i label) + const label i = lPtr[losortCoeff]; + + // Get end of column for cell i + const register label fEndColumni = ownStartPtr[i + 1]; + + // Lower coeff loop (additional loop to avoid checking the + // existance of certain lower coeffs) + for + ( + register label faceI = losortCoeff + 1; + faceI < fEndColumni; + ++faceI + ) + { + // Note: w addressed by neighbour of face (row index for + // lower) + wPtr[uPtr[faceI]] -= upperPtr[losortCoeff]*lowerPtr[faceI]; + } + } + + // Update diagonal entry, inverting it for future use + scalar& diagRowI = diagPtr[rowI]; + diagRowI = 1.0/zDiag_; + + // Index for updating L and U + register label zwIndex; + + // Update upper and lower coeffs + for (register label faceI = fStart; faceI < fEnd; ++faceI) + { + // Get index for current face + zwIndex = uPtr[faceI]; + + // Update L and U decomposition for this row (column) + upperPtr[faceI] = zPtr[zwIndex]; + lowerPtr[faceI] = wPtr[zwIndex]*diagRowI; + } + + // Reset temporary working fields + // NOTE: RESET ONLY COEFFS THAT HAVE BEEN TEMPERED WITH + zDiag_ = 0; + for (register label i = 0; i < nRows; ++i) + { + zPtr[i] = wPtr[i] = 0; + } + } + } + else + { + forAll (preconDiag_, i) + { + preconDiag_[i] = 1.0/preconDiag_[i]; + } + } +} + + +// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * // + +Foam::ILUC0::ILUC0 +( + const lduMatrix& matrix, + const FieldField& coupleBouCoeffs, + const FieldField& coupleIntCoeffs, + const lduInterfaceFieldPtrsList& interfaces, + const dictionary& dict +) +: + lduPreconditioner + ( + matrix, + coupleBouCoeffs, + coupleIntCoeffs, + interfaces + ), + preconDiag_(matrix_.diag()), + preconLower_(matrix.lower()), + preconUpper_(matrix.upper()), + zDiag_(0), + z_(preconDiag_.size(), 0), + w_(preconDiag_.size(), 0) +{ + calcFactorization(); +} + + +Foam::ILUC0::ILUC0 +( + const lduMatrix& matrix, + const FieldField& coupleBouCoeffs, + const FieldField& coupleIntCoeffs, + const lduInterfaceFieldPtrsList& interfaces +) +: + lduPreconditioner + ( + matrix, + coupleBouCoeffs, + coupleIntCoeffs, + interfaces + ), + preconDiag_(matrix_.diag()), + preconLower_(matrix.lower()), + preconUpper_(matrix.upper()), + zDiag_(0), + z_(preconDiag_.size(), 0), + w_(preconDiag_.size(), 0) +{ + calcFactorization(); +} + + +// * * * * * * * * * * * * * * * * Destructor * * * * * * * * * * * * * * * // + +Foam::ILUC0::~ILUC0() +{} + + +// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * // + +void Foam::ILUC0::precondition +( + scalarField& x, + const scalarField& b, + const direction +) const +{ + if (!matrix_.diagonal()) + { + // Get matrix addressing + const lduAddressing& addr = matrix_.lduAddr(); + const unallocLabelList& upperAddr = addr.upperAddr(); + const unallocLabelList& lowerAddr = addr.lowerAddr(); + const unallocLabelList& losortAddr = addr.losortAddr(); + + // Get upper matrix coefficients + const scalarField& upper = matrix_.upper(); + + // Solve Lz = b with forward substitution. preconLower_ is chosen to + // be unit triangular. z does not need to be stored + + // Initialize x field + x = b; + + label losortCoeffI; + + // Forward substitution loop + forAll (preconLower_, coeffI) + { + // Get current losortCoeff to ensure row by row access + losortCoeffI = losortAddr[coeffI]; + + // Subtract already updated lower part from the solution + x[upperAddr[losortCoeffI]] -= + preconLower_[losortCoeffI]*x[lowerAddr[losortCoeffI]]; + } + + // Solve Ux = b with back substitution. U is chosen to be upper + // triangular with diagonal entries corresponding to preconDiag_ + + // Multiply with inverse diagonal + x *= preconDiag_; + + label rowI; + + // Back substitution loop + forAllReverse (upper, coeffI) + { + // Get row index + rowI = lowerAddr[coeffI]; + + // Subtract already updated upper part from the solution + x[rowI] -= upper[coeffI]*x[upperAddr[coeffI]]*preconDiag_[rowI]; + } + } + else + { + // Diagonal preconditioning + forAll(x, i) + { + x[i] = b[i]*preconDiag_[i]; + } + } +} + + +void Foam::ILUC0::preconditionT +( + scalarField& x, + const scalarField& b, + const direction cmpt +) const +{ + if (!matrix_.diagonal()) + { + // Get matrix addressing + const lduAddressing& addr = matrix_.lduAddr(); + const unallocLabelList& upperAddr = addr.upperAddr(); + const unallocLabelList& lowerAddr = addr.lowerAddr(); + const unallocLabelList& losortAddr = addr.losortAddr(); + + // Get upper matrix coefficients + const scalarField& upper = matrix_.upper(); + + // Solve U^T z = b with forward substitution. preconLower_ is chosen to + // be unit triangular - U^T (transpose U) "contains" diagonal entries. z + // does not need to be stored. + + // Initialize x field + forAll(x, i) + { + x[i] = b[i]*preconDiag_[i]; + } + + label losortCoeffI; + label rowI; + + // Forward substitution loop + forAll (upper, coeffI) + { + // Get current losortCoeff to ensure row by row access + losortCoeffI = losortAddr[coeffI]; + + // Get row index + rowI = upperAddr[losortCoeffI]; + + // Subtract already updated lower (upper transpose) part from the + // solution + x[rowI] -= upper[losortCoeffI]*x[lowerAddr[losortCoeffI]]* + preconDiag_[rowI]; + } + + // Solve L^T x = z with back substitution. L^T is unit upper triangular + + // Back substitution loop + forAllReverse (preconLower_, coeffI) + { + // Subtract already updated upper part from the solution + x[lowerAddr[coeffI]] -= preconLower_[coeffI]*x[upperAddr[coeffI]]; + } + } + else + { + // Diagonal preconditioning + forAll(x, i) + { + x[i] = b[i]*preconDiag_[i]; + } + } +} + + +// ************************************************************************* // diff --git a/src/lduSolvers/lduPrecon/ILUC0/ILUC0.H b/src/lduSolvers/lduPrecon/ILUC0/ILUC0.H new file mode 100644 index 000000000..a24ecee1f --- /dev/null +++ b/src/lduSolvers/lduPrecon/ILUC0/ILUC0.H @@ -0,0 +1,154 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +------------------------------------------------------------------------------- +License + This file is part of foam-extend. + + foam-extend is free software: you can redistribute it and/or modify it + under the terms of the GNU General Public License as published by the + Free Software Foundation, either version 3 of the License, or (at your + option) any later version. + + foam-extend is distributed in the hope that it will be useful, but + WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + General Public License for more details. + + You should have received a copy of the GNU General Public License + along with foam-extend. If not, see . + +Class + ILUC0 + +Description + ILU preconditioning without fill in based on Crout algorithm. L and U are + calculated and stored. + + Reference: Saad, Y.: Iterative Methods for Sparse Linear Systems (2nd + Edition), SIAM, 2003. + +Author + Vuko Vukcevic, FMENA Zagreb. All rights reserved + +SourceFiles + ILUC0.C + +\*---------------------------------------------------------------------------*/ + +#ifndef ILUC0_H +#define ILUC0_H + +#include "lduMatrix.H" + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +namespace Foam +{ + +/*---------------------------------------------------------------------------*\ + Class ILUC0 Declaration +\*---------------------------------------------------------------------------*/ + +class ILUC0 +: + public lduPreconditioner +{ + // Private Data + + //- Preconditioned diagonal + scalarField preconDiag_; + + //- Strictly lower part + scalarField preconLower_; + + //- Strictly upper part + scalarField preconUpper_; + + //- Temporary working diagonal + scalar zDiag_; + + //- Temporary working row field + scalarField z_; + + //- Temporary Working column field + scalarField w_; + + + // Private Member Functions + + //- Disallow default bitwise copy construct + ILUC0(const ILUC0&); + + //- Disallow default bitwise assignment + void operator=(const ILUC0&); + + //- Calculate LU factorization + void calcFactorization(); + + +public: + + //- Runtime type information + TypeName("ILUC0"); + + + // Constructors + + //- Construct from matrix and dictionary + ILUC0 + ( + const lduMatrix& matrix, + const FieldField& coupleBouCoeffs, + const FieldField& coupleIntCoeffs, + const lduInterfaceFieldPtrsList& interfaces, + const dictionary& dict + ); + + //- Construct from matrix as a smoother + ILUC0 + ( + const lduMatrix& matrix, + const FieldField& coupleBouCoeffs, + const FieldField& coupleIntCoeffs, + const lduInterfaceFieldPtrsList& interfaces + ); + + + // Destructor + + virtual ~ILUC0(); + + + // Member Functions + + //- Execute preconditioning + virtual void precondition + ( + scalarField& x, + const scalarField& b, + const direction cmpt = 0 + ) const; + + //- Execute preconditioning with matrix transpose + virtual void preconditionT + ( + scalarField& x, + const scalarField& b, + const direction cmpt = 0 + ) const; +}; + + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +} // End namespace Foam + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +#endif + +// ************************************************************************* // From 6c27c17d007336ace45d0788fab0fcd138e2d2fd Mon Sep 17 00:00:00 2001 From: Vuko Vukcevic Date: Fri, 26 Jun 2015 09:45:31 +0200 Subject: [PATCH 016/597] extendedLduAddressing with arbitrary extension level and extendedLduMatrix classes --- src/foam/Make/files | 2 + .../extendedLduAddressing.C | 573 ++++++++++++++++++ .../extendedLduAddressing.H | 245 ++++++++ .../extendedLduMatrix/extendedLduMatrix.C | 255 ++++++++ .../extendedLduMatrix/extendedLduMatrix.H | 137 +++++ 5 files changed, 1212 insertions(+) create mode 100644 src/foam/matrices/lduMatrix/lduAddressing/extendedLduAddressing/extendedLduAddressing.C create mode 100644 src/foam/matrices/lduMatrix/lduAddressing/extendedLduAddressing/extendedLduAddressing.H create mode 100644 src/foam/matrices/lduMatrix/lduMatrix/extendedLduMatrix/extendedLduMatrix.C create mode 100644 src/foam/matrices/lduMatrix/lduMatrix/extendedLduMatrix/extendedLduMatrix.H diff --git a/src/foam/Make/files b/src/foam/Make/files index ec2283a43..5989ae249 100644 --- a/src/foam/Make/files +++ b/src/foam/Make/files @@ -246,6 +246,7 @@ $(lduMatrix)/lduMatrix/lduMatrixUpdateMatrixInterfaces.C $(lduMatrix)/lduMatrix/lduMatrixSolver.C $(lduMatrix)/lduMatrix/lduMatrixSmoother.C $(lduMatrix)/lduMatrix/lduMatrixPreconditioner.C +$(lduMatrix)/lduMatrix/extendedLduMatrix/extendedLduMatrix.C $(lduMatrix)/solvers/diagonalSolver/diagonalSolver.C $(lduMatrix)/solvers/smoothSolver/smoothSolver.C @@ -269,6 +270,7 @@ $(lduMatrix)/preconditioners/GAMGPreconditioner/GAMGPreconditioner.C lduAddressing = $(lduMatrix)/lduAddressing $(lduAddressing)/lduAddressing.C +$(lduAddressing)/extendedLduAddressing/extendedLduAddressing.C $(lduAddressing)/lduInterface/lduInterface.C $(lduAddressing)/lduInterface/processorLduInterface.C $(lduAddressing)/lduInterface/cyclicLduInterface.C diff --git a/src/foam/matrices/lduMatrix/lduAddressing/extendedLduAddressing/extendedLduAddressing.C b/src/foam/matrices/lduMatrix/lduAddressing/extendedLduAddressing/extendedLduAddressing.C new file mode 100644 index 000000000..fbf984c66 --- /dev/null +++ b/src/foam/matrices/lduMatrix/lduAddressing/extendedLduAddressing/extendedLduAddressing.C @@ -0,0 +1,573 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | foam-extend: Open Source CFD + \\ / O peration | + \\ / A nd | For copyright notice see file Copyright + \\/ M anipulation | +------------------------------------------------------------------------------- +License + This file is part of foam-extend. + + foam-extend is free software: you can redistribute it and/or modify it + under the terms of the GNU General Public License as published by the + Free Software Foundation, either version 3 of the License, or (at your + option) any later version. + + foam-extend is distributed in the hope that it will be useful, but + WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + General Public License for more details. + + You should have received a copy of the GNU General Public License + along with foam-extend. If not, see . + +\*---------------------------------------------------------------------------*/ + +#include "extendedLduAddressing.H" +#include "mapPolyMesh.H" + +// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * // + +namespace Foam +{ + defineTypeNameAndDebug(extendedLduAddressing, 0); +} + + +// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * // + +Foam::extendedLduAddressing::extendedLduAddressing +( + const polyMesh& mesh, + const lduAddressing& lduAddr, + const label extensionLevel +) +: + MeshObject(mesh), + lowerAddr_ + ( + labelList::subList + ( + mesh.faceOwner(), + mesh.nInternalFaces() + ) + ), + upperAddr_(mesh.faceNeighbour()), + lduAddr_(lduAddr), + p_(extensionLevel), + extendedLowerPtr_(NULL), + extendedUpperPtr_(NULL), + faceMapPtr_(NULL), + extendedLosortPtr_(NULL), + extendedOwnerStartPtr_(NULL), + extendedLosortStartPtr_(NULL) +{ + // Issue an error if a negative extension level is selected + if (p_ < 0) + { + FatalErrorIn + ( + "extendedLduAddressing::extendedLduAddressing" + ) + << "Negative extension level not allowed." + << abort(FatalError); + } + // Disallow extension level 0 as it is the same as ordinary lduAddressing + else if (p_ == 0) + { + FatalErrorIn + ( + "extendedLduAddressing::extendedLduAddressing" + ) + << "Extension level 0 not allowed as it is the same as ordinary " + << " lduAddressing." + << abort(FatalError); + } +} + + +// * * * * * * * * * * * * * * * * Destructor * * * * * * * * * * * * * * * / + +Foam::extendedLduAddressing::~extendedLduAddressing() +{ + clearAllDemandDrivenData(); +} + + +// * * * * * * * * * * * * * Private Member Functions * * * * * * * * * * * // + +void Foam::extendedLduAddressing::clearAllDemandDrivenData() const +{ + deleteDemandDrivenData(extendedLowerPtr_); + deleteDemandDrivenData(extendedUpperPtr_); + deleteDemandDrivenData(faceMapPtr_); + deleteDemandDrivenData(extendedLosortPtr_); + deleteDemandDrivenData(extendedOwnerStartPtr_); + deleteDemandDrivenData(extendedLosortStartPtr_); +} + + +void Foam::extendedLduAddressing::markNeighbours +( + const label& masterCellI, + const labelList& nbrCells, + const labelListList& cellCells, + HashSet