From 5f203b3023f565f1bcaa04494fdc86ae97228b9c Mon Sep 17 00:00:00 2001 From: Katharina Heck Date: Thu, 5 Sep 2019 15:30:46 +0200 Subject: [PATCH 01/28] [porousmediumflow] add average molar mass in all compositional volumevariables as maxwell-stefan needs that --- .../porousmediumflow/1pnc/volumevariables.hh | 8 +++++ .../porousmediumflow/2p1c/volumevariables.hh | 7 ++++ .../porousmediumflow/2p2c/volumevariables.hh | 8 +++++ .../porousmediumflow/2pnc/volumevariables.hh | 8 +++++ .../porousmediumflow/3p3c/volumevariables.hh | 9 +++++ .../3pwateroil/volumevariables.hh | 8 +++++ dumux/porousmediumflow/co2/volumevariables.hh | 7 ++++ .../richards/volumevariables.hh | 33 +++++++++++++++++++ .../richardsnc/volumevariables.hh | 8 +++++ .../tracer/volumevariables.hh | 8 +++++ 10 files changed, 104 insertions(+) diff --git a/dumux/porousmediumflow/1pnc/volumevariables.hh b/dumux/porousmediumflow/1pnc/volumevariables.hh index 7354904779..864a4ab113 100644 --- a/dumux/porousmediumflow/1pnc/volumevariables.hh +++ b/dumux/porousmediumflow/1pnc/volumevariables.hh @@ -194,6 +194,14 @@ public: const SolidState &solidState() const { return solidState_; } + /*! + * \brief Returns the average molar mass \f$\mathrm{[kg/mol]}\f$$ the of the fluid phase. + * + * \param phaseIdx The phase index + */ + Scalar averageMolarMass(int phaseIdx = 0) const + { return fluidState_.averageMolarMass(0); } + /*! * \brief Returns density \f$\mathrm{[kg/m^3]}\f$ the of the fluid phase. * diff --git a/dumux/porousmediumflow/2p1c/volumevariables.hh b/dumux/porousmediumflow/2p1c/volumevariables.hh index b2e49ce0a5..edefcbcbe7 100644 --- a/dumux/porousmediumflow/2p1c/volumevariables.hh +++ b/dumux/porousmediumflow/2p1c/volumevariables.hh @@ -309,6 +309,13 @@ public: const SolidState &solidState() const { return solidState_; } + /*! + * \brief Returns the average molar mass \f$\mathrm{[kg/mol]}\f$$ the of the fluid phase. + * + * \param phaseIdx The phase index + */ + Scalar averageMolarMass(int phaseIdx) const + { return fluidState_.averageMolarMass(phaseIdx); } /*! * \brief Returns the effective saturation of a given phase within diff --git a/dumux/porousmediumflow/2p2c/volumevariables.hh b/dumux/porousmediumflow/2p2c/volumevariables.hh index 3760e31ecd..6c19e5d0bb 100644 --- a/dumux/porousmediumflow/2p2c/volumevariables.hh +++ b/dumux/porousmediumflow/2p2c/volumevariables.hh @@ -248,6 +248,14 @@ public: const SolidState &solidState() const { return solidState_; } + /*! + * \brief Returns the average molar mass \f$\mathrm{[kg/mol]}\f$$ the of the fluid phase. + * + * \param phaseIdx The phase index + */ + Scalar averageMolarMass(int phaseIdx) const + { return fluidState_.averageMolarMass(phaseIdx); } + /*! * \brief Returns the saturation of a given phase within * the control volume in \f$[-]\f$. diff --git a/dumux/porousmediumflow/2pnc/volumevariables.hh b/dumux/porousmediumflow/2pnc/volumevariables.hh index 095e1174c5..23720010dd 100644 --- a/dumux/porousmediumflow/2pnc/volumevariables.hh +++ b/dumux/porousmediumflow/2pnc/volumevariables.hh @@ -352,6 +352,14 @@ public: const SolidState &solidState() const { return solidState_; } + /*! + * \brief Returns the average molar mass \f$\mathrm{[kg/mol]}\f$$ the of the fluid phase. + * + * \param phaseIdx The phase index + */ + Scalar averageMolarMass(int phaseIdx) const + { return fluidState_.averageMolarMass(phaseIdx); } + /*! * \brief Returns the saturation of a given phase within * the control volume in \f$[-]\f$. diff --git a/dumux/porousmediumflow/3p3c/volumevariables.hh b/dumux/porousmediumflow/3p3c/volumevariables.hh index f92e53c3cf..08559a38fc 100644 --- a/dumux/porousmediumflow/3p3c/volumevariables.hh +++ b/dumux/porousmediumflow/3p3c/volumevariables.hh @@ -589,6 +589,15 @@ public: */ const SolidState &solidState() const { return solidState_; } + + /*! + * \brief Returns the average molar mass \f$\mathrm{[kg/mol]}\f$$ the of the fluid phase. + * + * \param phaseIdx The phase index + */ + Scalar averageMolarMass(int phaseIdx) const + { return fluidState_.averageMolarMass(phaseIdx); } + /*! * \brief Returns the effective saturation of a given phase within * the control volume. diff --git a/dumux/porousmediumflow/3pwateroil/volumevariables.hh b/dumux/porousmediumflow/3pwateroil/volumevariables.hh index 067d790604..ae9c2b5322 100644 --- a/dumux/porousmediumflow/3pwateroil/volumevariables.hh +++ b/dumux/porousmediumflow/3pwateroil/volumevariables.hh @@ -789,6 +789,14 @@ public: const SolidState &solidState() const { return solidState_; } + /*! + * \brief Returns the average molar mass \f$\mathrm{[kg/mol]}\f$$ the of the fluid phase. + * + * \param phaseIdx The phase index + */ + Scalar averageMolarMass(int phaseIdx) const + { return fluidState_.averageMolarMass(phaseIdx); } + /*! * \brief Returns the effective saturation of a given phase within * the control volume. diff --git a/dumux/porousmediumflow/co2/volumevariables.hh b/dumux/porousmediumflow/co2/volumevariables.hh index 8c0fd4c1e4..4702b00c07 100644 --- a/dumux/porousmediumflow/co2/volumevariables.hh +++ b/dumux/porousmediumflow/co2/volumevariables.hh @@ -323,6 +323,13 @@ public: const SolidState &solidState() const { return solidState_; } + /*! + * \brief Returns the average molar mass \f$\mathrm{[kg/mol]}\f$$ the of the fluid phase. + * + * \param phaseIdx The phase index + */ + Scalar averageMolarMass(int phaseIdx) const + { return fluidState_.averageMolarMass(phaseIdx); } /*! * \brief Returns the saturation of a given phase within diff --git a/dumux/porousmediumflow/richards/volumevariables.hh b/dumux/porousmediumflow/richards/volumevariables.hh index 68170bd8fc..7d23109149 100644 --- a/dumux/porousmediumflow/richards/volumevariables.hh +++ b/dumux/porousmediumflow/richards/volumevariables.hh @@ -112,8 +112,17 @@ public: if (phasePresence == Indices::gasPhaseOnly) { moleFraction_[FluidSystem::liquidPhaseIdx] = 1.0; + massFraction_[FluidSystem::liquidPhaseIdx] = 1.0; + + moleFraction_[FluidSystem::gasPhaseIdx] = priVars[Indices::switchIdx]; + const auto averageMolarMassGasPhase = (moleFraction_[FluidSystem::gasPhaseIdx]*FluidSystem::molarMass(FluidSystem::liquidPhaseIdx)) + + ((1-moleFraction_[FluidSystem::gasPhaseIdx])*FluidSystem::molarMass(FluidSystem::gasPhaseIdx)); + + //X_w = x_w* M_w/ M_avg + massFraction_[FluidSystem::gasPhaseIdx] = priVars[Indices::switchIdx]*FluidSystem::molarMass(FluidSystem::liquidPhaseIdx)/averageMolarMassGasPhase; + fluidState_.setSaturation(FluidSystem::liquidPhaseIdx, 0.0); fluidState_.setSaturation(FluidSystem::gasPhaseIdx, 1.0); @@ -158,6 +167,12 @@ public: moleFraction_[FluidSystem::gasPhaseIdx] = FluidSystem::H2O::vaporPressure(temperature()) / problem.nonWettingReferencePressure(); + const auto averageMolarMassGasPhase = (moleFraction_[FluidSystem::gasPhaseIdx]*FluidSystem::molarMass(FluidSystem::liquidPhaseIdx)) + + ((1-moleFraction_[FluidSystem::gasPhaseIdx])*FluidSystem::molarMass(FluidSystem::gasPhaseIdx)); + + //X_w = x_w* M_w/ M_avg + massFraction_[FluidSystem::gasPhaseIdx] = moleFraction_[FluidSystem::gasPhaseIdx]*FluidSystem::molarMass(FluidSystem::liquidPhaseIdx)/averageMolarMassGasPhase; + // binary diffusion coefficients typename FluidSystem::ParameterCache paramCache; paramCache.updateAll(fluidState_); @@ -174,6 +189,8 @@ public: molarDensity_[FluidSystem::gasPhaseIdx] = IdealGas::molarDensity(temperature(), problem.nonWettingReferencePressure()); moleFraction_[FluidSystem::liquidPhaseIdx] = 1.0; moleFraction_[FluidSystem::gasPhaseIdx] = 0.0; + massFraction_[FluidSystem::liquidPhaseIdx] = 1.0; + massFraction_[FluidSystem::gasPhaseIdx] = 0.0; // binary diffusion coefficients typename FluidSystem::ParameterCache paramCache; @@ -416,6 +433,21 @@ public: return moleFraction_[phaseIdx]; } + /*! + * \brief Returns the mole fraction of a given component in a + * given phase within the control volume in \f$[-]\f$. + * + * \param phaseIdx The phase index + * \param compIdx The component index + */ + Scalar massFraction(const int phaseIdx, const int compIdx) const + { + assert(enableWaterDiffusionInAir()); + if (compIdx != FluidSystem::comp0Idx) + DUNE_THROW(Dune::InvalidStateException, "There is only one component for Richards!"); + return massFraction_[phaseIdx]; + } + /*! * \brief Returns the mass density of a given phase within the * control volume in \f$[mol/m^3]\f$. @@ -447,6 +479,7 @@ protected: PermeabilityType permeability_; //!< the instrinsic permeability Scalar minPc_; //!< the minimum capillary pressure (entry pressure) Scalar moleFraction_[ParentType::numFluidPhases()]; //!< The water mole fractions in water and air + Scalar massFraction_[ParentType::numFluidPhases()]; //!< The water mass fractions in water and air Scalar molarDensity_[ParentType::numFluidPhases()]; //!< The molar density of water and air Scalar diffCoeff_; //!< The binary diffusion coefficient of water in air }; diff --git a/dumux/porousmediumflow/richardsnc/volumevariables.hh b/dumux/porousmediumflow/richardsnc/volumevariables.hh index a4247c846b..f96c586204 100644 --- a/dumux/porousmediumflow/richardsnc/volumevariables.hh +++ b/dumux/porousmediumflow/richardsnc/volumevariables.hh @@ -199,6 +199,14 @@ public: const SolidState &solidState() const { return solidState_; } + /*! + * \brief Returns the average molar mass \f$\mathrm{[kg/mol]}\f$$ the of the fluid phase. + * + * \param phaseIdx The phase index + */ + Scalar averageMolarMass(const int phaseIdx = 0) const + { return fluidState_.averageMolarMass(phaseIdx); } + /*! * \brief Returns the temperature. */ diff --git a/dumux/porousmediumflow/tracer/volumevariables.hh b/dumux/porousmediumflow/tracer/volumevariables.hh index 75055e86a2..6f220ec14d 100644 --- a/dumux/porousmediumflow/tracer/volumevariables.hh +++ b/dumux/porousmediumflow/tracer/volumevariables.hh @@ -106,6 +106,14 @@ public: Scalar density(int phaseIdx = 0) const { return fluidDensity_; } + /*! + * \brief Returns the average molar mass \f$\mathrm{[kg/mol]}\f$$ the of the fluid phase. + * + * \param phaseIdx The phase index + */ + Scalar averageMolarMass(int phaseIdx = 0) const + { return fluidMolarMass_; } + /*! * \brief Returns the phase state for the control volume. */ -- GitLab From c632b11d3f006799ba36f0f21d7869ca14d783ae Mon Sep 17 00:00:00 2001 From: Katharina Heck Date: Thu, 5 Sep 2019 15:21:24 +0200 Subject: [PATCH 02/28] [feature][flux][multidomain] add version of diffusion laws for mass averaged velocities and introduce reference systems. Also needed to be changed in forward declaration of boundary couplingdata --- dumux/flux/box/fickslaw.hh | 28 +++++-- dumux/flux/box/maxwellstefanslaw.hh | 37 ++++++--- dumux/flux/ccmpfa/fickslaw.hh | 23 ++++-- dumux/flux/cctpfa/fickslaw.hh | 35 +++++--- dumux/flux/cctpfa/maxwellstefanslaw.hh | 29 ++++--- dumux/flux/fickslaw.hh | 7 +- dumux/flux/maxwellstefanslaw.hh | 7 +- dumux/flux/referencesystem.hh | 44 ++++++++++ dumux/flux/staggered/freeflow/fickslaw.hh | 29 +++---- .../staggered/freeflow/maxwellstefanslaw.hh | 24 ++++-- .../boundary/stokesdarcy/couplingdata.hh | 80 +++++++++++++------ 11 files changed, 241 insertions(+), 102 deletions(-) create mode 100644 dumux/flux/referencesystem.hh diff --git a/dumux/flux/box/fickslaw.hh b/dumux/flux/box/fickslaw.hh index 0465c9bbaf..3893f733b6 100644 --- a/dumux/flux/box/fickslaw.hh +++ b/dumux/flux/box/fickslaw.hh @@ -20,7 +20,7 @@ * \file * \ingroup BoxFlux * \brief This file contains the data which is required to calculate - * diffusive molar fluxes due to molecular diffusion with Fick's law. + * diffusive mass fluxes due to molecular diffusion with Fick's law. */ #ifndef DUMUX_DISCRETIZATION_BOX_FICKS_LAW_HH #define DUMUX_DISCRETIZATION_BOX_FICKS_LAW_HH @@ -32,15 +32,15 @@ namespace Dumux { // forward declaration -template +template class FicksLawImplementation; /*! * \ingroup BoxFlux * \brief Specialization of Fick's Law for the box method. */ -template -class FicksLawImplementation +template +class FicksLawImplementation { using Scalar = GetPropType; using Problem = GetPropType; @@ -70,6 +70,8 @@ class FicksLawImplementation using ComponentFluxVector = Dune::FieldVector; public: + //return the reference system + static constexpr ReferenceSystemFormulation referenceSystemFormulation() { return referenceSystem; } static ComponentFluxVector flux(const Problem& problem, const Element& element, @@ -92,7 +94,11 @@ public: // density interpolation Scalar rho(0.0); for (auto&& scv : scvs(fvGeometry)) - rho += elemVolVars[scv].molarDensity(phaseIdx)*shapeValues[scv.indexInElement()][0]; + { + const auto massOrMolarDensity = (referenceSystem == ReferenceSystemFormulation::massAveraged) ? elemVolVars[scv].density(phaseIdx) : elemVolVars[scv].molarDensity(phaseIdx); + + rho += massOrMolarDensity*shapeValues[scv.indexInElement()][0]; + } for (int compIdx = 0; compIdx < numComponents; compIdx++) { @@ -118,7 +124,11 @@ public: // the mole/mass fraction gradient Dune::FieldVector gradX(0.0); for (auto&& scv : scvs(fvGeometry)) - gradX.axpy(elemVolVars[scv].moleFraction(phaseIdx, compIdx), fluxVarsCache.gradN(scv.indexInElement())); + { + const auto massOrMoleFraction = (referenceSystem == ReferenceSystemFormulation::massAveraged) ? elemVolVars[scv].massFraction(phaseIdx, compIdx) : elemVolVars[scv].moleFraction(phaseIdx, compIdx); + + gradX.axpy(massOrMoleFraction, fluxVarsCache.gradN(scv.indexInElement())); + } // compute the diffusive flux componentFlux[compIdx] = -1.0*rho*vtmv(scvf.unitOuterNormal(), D, gradX)*scvf.area(); @@ -141,7 +151,11 @@ public: Scalar rho(0.0); const auto& shapeValues = fluxVarCache.shapeValues(); for (auto&& scv : scvs(fvGeometry)) - rho += elemVolVars[scv].molarDensity(phaseIdx)*shapeValues[scv.indexInElement()][0]; + { + const auto massOrMolarDensity = (referenceSystem == ReferenceSystemFormulation::massAveraged) ? elemVolVars[scv].density(phaseIdx) : elemVolVars[scv].molarDensity(phaseIdx); + + rho += massOrMolarDensity*shapeValues[scv.indexInElement()][0]; + } const auto& insideVolVars = elemVolVars[scvf.insideScvIdx()]; const auto& outsideVolVars = elemVolVars[scvf.outsideScvIdx()]; diff --git a/dumux/flux/box/maxwellstefanslaw.hh b/dumux/flux/box/maxwellstefanslaw.hh index 8004d29361..ed33bdaa00 100644 --- a/dumux/flux/box/maxwellstefanslaw.hh +++ b/dumux/flux/box/maxwellstefanslaw.hh @@ -36,15 +36,15 @@ namespace Dumux { // forward declaration -template +template class MaxwellStefansLawImplementation; /*! * \ingroup BoxFlux * \brief Specialization of Maxwell Stefan's Law for the Box method. */ -template -class MaxwellStefansLawImplementation +template +class MaxwellStefansLawImplementation { using Scalar = GetPropType; using Problem = GetPropType; @@ -65,7 +65,13 @@ class MaxwellStefansLawImplementation using ReducedComponentVector = Dune::FieldVector; using ReducedComponentMatrix = Dune::FieldMatrix; + static_assert(referenceSystem == ReferenceSystemFormulation::massAveraged, "only the mass averaged reference system is supported for the Maxwell-Stefan formulation"); + + public: + //return the reference system + static constexpr ReferenceSystemFormulation referenceSystemFormulation() { return referenceSystem; } + static ComponentFluxVector flux(const Problem& problem, const Element& element, const FVElementGeometry& fvGeometry, @@ -87,13 +93,15 @@ public: const auto& shapeValues = fluxVarsCache.shapeValues(); Scalar rho(0.0); + Scalar Mavg(0.0); for (auto&& scv : scvs(fvGeometry)) { const auto& volVars = elemVolVars[scv]; // density interpolation - rho += volVars.molarDensity(phaseIdx)*shapeValues[scv.indexInElement()][0]; - + rho += volVars.density(phaseIdx)*shapeValues[scv.indexInElement()][0]; + //average molar mass interpolation + Mavg += volVars.averageMolarMass(phaseIdx)*shapeValues[scv.indexInElement()][0]; //interpolate the mole fraction for the diffusion matrix for (int compIdx = 0; compIdx < numComponents; compIdx++) { @@ -101,7 +109,7 @@ public: } } - reducedDiffusionMatrix = setupMSMatrix_(problem, element, fvGeometry, elemVolVars, scvf, phaseIdx, moleFrac); + reducedDiffusionMatrix = setupMSMatrix_(problem, element, fvGeometry, elemVolVars, scvf, phaseIdx, moleFrac, Mavg); for (int compIdx = 0; compIdx < numComponents-1; compIdx++) { @@ -135,7 +143,8 @@ private: const ElementVolumeVariables& elemVolVars, const SubControlVolumeFace& scvf, const int phaseIdx, - const ComponentFluxVector moleFrac) + const ComponentFluxVector moleFrac, + const Scalar Mavg) { ReducedComponentMatrix reducedDiffusionMatrix(0.0); @@ -153,15 +162,15 @@ private: // effective diffusion tensors using EffDiffModel = GetPropType; - const auto xi = moleFrac[compIIdx]; - //calculate diffusivity for i,numComponents + const auto xi = moleFrac[compIIdx]; + const auto Mn = FluidSystem::molarMass(numComponents-1); auto tinInside = getDiffusionCoefficient(phaseIdx, compIIdx, numComponents-1, problem, element, insideVolVars, fvGeometry.scv(insideScvIdx)); tinInside = EffDiffModel::effectiveDiffusivity(insideVolVars.porosity(), insideVolVars.saturation(phaseIdx), tinInside); auto tinOutside = getDiffusionCoefficient(phaseIdx, compIIdx, numComponents-1, problem, element, outsideVolVars, fvGeometry.scv(outsideScvIdx)); tinOutside = EffDiffModel::effectiveDiffusivity(outsideVolVars.porosity(), outsideVolVars.saturation(phaseIdx), tinOutside); - // scale by extrusion factor + // scale by extrusion factor tinInside *= insideVolVars.extrusionFactor(); tinOutside *= outsideVolVars.extrusionFactor(); @@ -169,7 +178,7 @@ private: const auto tin = problem.spatialParams().harmonicMean(tinInside, tinOutside, scvf.unitOuterNormal()); //begin the entrys of the diffusion matrix of the diagonal - reducedDiffusionMatrix[compIIdx][compIIdx] += xi/tin; + reducedDiffusionMatrix[compIIdx][compIIdx] += xi*Mavg/(tin*Mn); // now set the rest of the entries (off-diagonal and additional entries for diagonal) for (int compJIdx = 0; compJIdx < numComponents; compJIdx++) @@ -180,6 +189,8 @@ private: //calculate diffusivity for compIIdx, compJIdx const auto xj = moleFrac[compJIdx]; + const auto Mi = FluidSystem::molarMass(compIIdx); + const auto Mj = FluidSystem::molarMass(compJIdx); auto tijInside = getDiffusionCoefficient(phaseIdx, compIIdx, compJIdx, problem, element, insideVolVars, fvGeometry.scv(insideScvIdx)); tijInside = EffDiffModel::effectiveDiffusivity(insideVolVars.porosity(), insideVolVars.saturation(phaseIdx), tijInside); auto tijOutside = getDiffusionCoefficient(phaseIdx, compIIdx, compJIdx, problem, element, outsideVolVars, fvGeometry.scv(outsideScvIdx)); @@ -192,9 +203,9 @@ private: // the resulting averaged diffusion tensor const auto tij = problem.spatialParams().harmonicMean(tijInside, tijOutside, scvf.unitOuterNormal()); - reducedDiffusionMatrix[compIIdx][compIIdx] += xj/tij; + reducedDiffusionMatrix[compIIdx][compIIdx] += xj*Mavg/(tij*Mi); if (compJIdx < numComponents-1) - reducedDiffusionMatrix[compIIdx][compJIdx] +=xi*(1/tin - 1/tij); + reducedDiffusionMatrix[compIIdx][compJIdx] +=xi*(Mavg/(tin*Mn) - Mavg/(tij*Mj)); } } return reducedDiffusionMatrix; diff --git a/dumux/flux/ccmpfa/fickslaw.hh b/dumux/flux/ccmpfa/fickslaw.hh index 6ee212ac59..26a34ed3d5 100644 --- a/dumux/flux/ccmpfa/fickslaw.hh +++ b/dumux/flux/ccmpfa/fickslaw.hh @@ -31,15 +31,15 @@ namespace Dumux { //! forward declaration of the method-specific implemetation -template +template class FicksLawImplementation; /*! * \ingroup CCMpfaFlux * \brief Fick's law for cell-centered finite volume schemes with multi-point flux approximation */ -template -class FicksLawImplementation +template +class FicksLawImplementation { using Scalar = GetPropType; using Problem = GetPropType; @@ -160,7 +160,8 @@ class FicksLawImplementation public: // state the discretization method this implementation belongs to static const DiscretizationMethod discMethod = DiscretizationMethod::ccmpfa; - + //return the reference system + static constexpr ReferenceSystemFormulation referenceSystemFormulation() { return referenceSystem; } // state the type for the corresponding cache and its filler using Cache = MpfaFicksLawCache; @@ -248,19 +249,25 @@ private: // use arithmetic mean of the densities around the scvf if (!scvf.boundary()) { - Scalar rho = elemVolVars[scvf.insideScvIdx()].molarDensity(phaseIdx); + const auto rhoInside = (referenceSystem == ReferenceSystemFormulation::massAveraged) ? elemVolVars[scvf.insideScvIdx()].density(phaseIdx) : elemVolVars[scvf.insideScvIdx()].molarDensity(phaseIdx); + + Scalar rho = rhoInside; for (const auto outsideIdx : scvf.outsideScvIndices()) - rho += elemVolVars[outsideIdx].molarDensity(phaseIdx); + { + const auto rhoOutside = (referenceSystem == ReferenceSystemFormulation::massAveraged) ? elemVolVars[outsideIdx].density(phaseIdx) : elemVolVars[outsideIdx].molarDensity(phaseIdx); + rho += rhoOutside; + } return rho/(scvf.outsideScvIndices().size()+1); + } else - return elemVolVars[scvf.outsideScvIdx()].molarDensity(phaseIdx); + return (referenceSystem == ReferenceSystemFormulation::massAveraged) ?elemVolVars[scvf.outsideScvIdx()].density(phaseIdx) : elemVolVars[scvf.outsideScvIdx()].molarDensity(phaseIdx); } //! Here we want to calculate the factors with which the diffusion coefficient has to be //! scaled to get the effective diffusivity. For this we use the effective diffusivity with //! a diffusion coefficient of 1.0 as input. Then we scale the transmissibilites during flux - //! calculation (above) with the harmonic average of the two factors +// //! calculation (above) with the harmonic average of the two factors static Scalar computeEffectivityFactor(const ElementVolumeVariables& elemVolVars, const SubControlVolumeFace& scvf, const unsigned int phaseIdx) diff --git a/dumux/flux/cctpfa/fickslaw.hh b/dumux/flux/cctpfa/fickslaw.hh index d2a8d5db54..d065233e6b 100644 --- a/dumux/flux/cctpfa/fickslaw.hh +++ b/dumux/flux/cctpfa/fickslaw.hh @@ -33,17 +33,17 @@ namespace Dumux { // forward declaration -template +template class FicksLawImplementation; /*! * \ingroup CCTpfaFlux * \brief Fick's law for cell-centered finite volume schemes with two-point flux approximation */ -template -class FicksLawImplementation +template +class FicksLawImplementation { - using Implementation = FicksLawImplementation; + using Implementation = FicksLawImplementation; using Scalar = GetPropType; using Problem = GetPropType; using FVElementGeometry = typename GetPropType::LocalView; @@ -116,6 +116,8 @@ class FicksLawImplementation public: //! state the discretization method this implementation belongs to static const DiscretizationMethod discMethod = DiscretizationMethod::cctpfa; + //! Return the reference system + static constexpr ReferenceSystemFormulation referenceSystemFormulation() { return referenceSystem; } //! state the type for the corresponding cache and its filler using Cache = TpfaFicksLawCache; @@ -142,14 +144,23 @@ public: const auto& insideVolVars = elemVolVars[scvf.insideScvIdx()]; const auto& outsideVolVars = elemVolVars[scvf.outsideScvIdx()]; - // the inside and outside mole fractions - const auto xInside = insideVolVars.moleFraction(phaseIdx, compIdx); - const auto xOutside = scvf.numOutsideScvs() == 1 ? outsideVolVars.moleFraction(phaseIdx, compIdx) + // the inside and outside mass fractions + + const auto massOrMoleFractionInside = (referenceSystem == ReferenceSystemFormulation::massAveraged) ?insideVolVars.massFraction(phaseIdx, compIdx) : insideVolVars.moleFraction(phaseIdx, compIdx); + + const auto xInside = massOrMoleFractionInside; + + const auto massOrMoleFractionOutside = (referenceSystem == ReferenceSystemFormulation::massAveraged) ?outsideVolVars.massFraction(phaseIdx, compIdx) : outsideVolVars.moleFraction(phaseIdx, compIdx); + + const auto xOutside = scvf.numOutsideScvs() == 1 ? massOrMoleFractionOutside : branchingFacetX(problem, element, fvGeometry, elemVolVars, elemFluxVarsCache, scvf, xInside, tij, phaseIdx, compIdx); - const auto rhoInside = insideVolVars.molarDensity(phaseIdx); - const auto rho = scvf.numOutsideScvs() == 1 ? 0.5*(rhoInside + outsideVolVars.molarDensity(phaseIdx)) + const auto rhoInside = (referenceSystem == ReferenceSystemFormulation::massAveraged) ? insideVolVars.density(phaseIdx) : insideVolVars.molarDensity(phaseIdx); + + const auto rhoOutside = (referenceSystem == ReferenceSystemFormulation::massAveraged) ? outsideVolVars.density(phaseIdx) : outsideVolVars.molarDensity(phaseIdx); + + const auto rho = scvf.numOutsideScvs() == 1 ? 0.5*(rhoInside + rhoOutside) : branchingFacetDensity(elemVolVars, scvf, phaseIdx, rhoInside); componentFlux[compIdx] = rho*tij*(xInside - xOutside); @@ -234,11 +245,12 @@ private: { const auto outsideScvIdx = scvf.outsideScvIdx(i); const auto& outsideVolVars = elemVolVars[outsideScvIdx]; + const auto massOrMoleFractionOutside = (referenceSystem == ReferenceSystemFormulation::massAveraged) ? outsideVolVars.massFraction(phaseIdx, compIdx) : outsideVolVars.moleFraction(phaseIdx, compIdx); const auto& flippedScvf = fvGeometry.flipScvf(scvf.index(), i); auto outsideTi = elemFluxVarsCache[flippedScvf].diffusionTij(phaseIdx, compIdx); sumTi += outsideTi; - sumXTi += outsideTi*outsideVolVars.moleFraction(phaseIdx, compIdx); + sumXTi += outsideTi*massOrMoleFractionOutside; } return sumTi > 0 ? sumXTi/sumTi : 0; @@ -255,7 +267,8 @@ private: { const auto outsideScvIdx = scvf.outsideScvIdx(i); const auto& outsideVolVars = elemVolVars[outsideScvIdx]; - rho += outsideVolVars.molarDensity(phaseIdx); + const auto rhoOutside = (referenceSystem == ReferenceSystemFormulation::massAveraged) ? outsideVolVars.density(phaseIdx) : outsideVolVars.molarDensity(phaseIdx); + rho += rhoOutside; } return rho/(scvf.numOutsideScvs()+1); } diff --git a/dumux/flux/cctpfa/maxwellstefanslaw.hh b/dumux/flux/cctpfa/maxwellstefanslaw.hh index 671558099a..fd3c85dad4 100644 --- a/dumux/flux/cctpfa/maxwellstefanslaw.hh +++ b/dumux/flux/cctpfa/maxwellstefanslaw.hh @@ -20,7 +20,7 @@ * \file * \ingroup CCTpfaFlux * \brief This file contains the data which is required to calculate - * diffusive molar fluxes due to molecular diffusion with Maxwell Stefan + * diffusive mass fluxes due to molecular diffusion with Maxwell Stefan */ #ifndef DUMUX_DISCRETIZATION_CC_TPFA_MAXWELL_STEFAN_LAW_HH #define DUMUX_DISCRETIZATION_CC_TPFA_MAXWELL_STEFAN_LAW_HH @@ -36,15 +36,15 @@ namespace Dumux { // forward declaration -template +template class MaxwellStefansLawImplementation; /*! * \ingroup CCTpfaFlux * \brief Specialization of Maxwell Stefan's Law for the CCTpfa method. */ -template -class MaxwellStefansLawImplementation +template +class MaxwellStefansLawImplementation { using Scalar = GetPropType; using Problem = GetPropType; @@ -65,6 +65,9 @@ class MaxwellStefansLawImplementation static const int numPhases = GetPropType::numFluidPhases(); static const int numComponents = GetPropType::numFluidComponents(); + static_assert(referenceSystem == ReferenceSystemFormulation::massAveraged, "only the mass averaged reference system is supported for the Maxwell-Stefan formulation"); + + using ComponentFluxVector = Dune::FieldVector; using ReducedComponentVector = Dune::FieldVector; using ReducedComponentMatrix = Dune::FieldMatrix; @@ -72,6 +75,8 @@ class MaxwellStefansLawImplementation public: // state the discretization method this implementation belongs to static const DiscretizationMethod discMethod = DiscretizationMethod::cctpfa; + //return the reference system + static constexpr ReferenceSystemFormulation referenceSystemFormulation() { return referenceSystem; } //! state the type for the corresponding cache and its filler //! We don't cache anything for this law @@ -98,8 +103,8 @@ public: // get inside/outside volume variables const auto& insideVolVars = elemVolVars[scvf.insideScvIdx()]; const auto& outsideVolVars = elemVolVars[scvf.outsideScvIdx()]; - const auto rhoInside = insideVolVars.molarDensity(phaseIdx); - const auto rhoOutside = outsideVolVars.molarDensity(phaseIdx); + const auto rhoInside = insideVolVars.density(phaseIdx); + const auto rhoOutside = outsideVolVars.density(phaseIdx); //calculate the mole fraction vectors for (int compIdx = 0; compIdx < numComponents-1; compIdx++) { @@ -212,14 +217,18 @@ private: if(Dune::FloatCmp::eq(volVars.saturation(phaseIdx), 0)) return reducedDiffusionMatrix; + const auto Mavg = volVars.averageMolarMass(phaseIdx); + for (int compIIdx = 0; compIIdx < numComponents-1; compIIdx++) { const auto xi = volVars.moleFraction(phaseIdx, compIIdx); + + const auto Mn = FluidSystem::molarMass(numComponents-1); Scalar tin = getDiffusionCoefficient(phaseIdx, compIIdx, numComponents-1, problem, element, volVars, scv); tin = EffDiffModel::effectiveDiffusivity(volVars.porosity(), volVars.saturation(phaseIdx), tin); // set the entries of the diffusion matrix of the diagonal - reducedDiffusionMatrix[compIIdx][compIIdx] += xi/tin; + reducedDiffusionMatrix[compIIdx][compIIdx] += xi*Mavg/(tin*Mn); // now set the rest of the entries (off-diagonal and additional entries for diagonal) for (int compJIdx = 0; compJIdx < numComponents; compJIdx++) @@ -229,11 +238,13 @@ private: continue; const auto xj = volVars.moleFraction(phaseIdx, compJIdx); + const auto Mi = FluidSystem::molarMass(compIIdx); + const auto Mj = FluidSystem::molarMass(compJIdx); Scalar tij = getDiffusionCoefficient(phaseIdx, compIIdx, compJIdx, problem, element, volVars, scv); tij = EffDiffModel::effectiveDiffusivity(volVars.porosity(), volVars.saturation(phaseIdx), tij); - reducedDiffusionMatrix[compIIdx][compIIdx] += xj/tij; + reducedDiffusionMatrix[compIIdx][compIIdx] += xj*Mavg/(tij*Mi); if (compJIdx < numComponents-1) - reducedDiffusionMatrix[compIIdx][compJIdx] += xi*(1/tin - 1/tij); + reducedDiffusionMatrix[compIIdx][compJIdx] += xi*(Mavg/(tin*Mn) - Mavg/(tij*Mj)); } } return reducedDiffusionMatrix; diff --git a/dumux/flux/fickslaw.hh b/dumux/flux/fickslaw.hh index 7b38828924..d3afa33925 100644 --- a/dumux/flux/fickslaw.hh +++ b/dumux/flux/fickslaw.hh @@ -28,19 +28,20 @@ #include #include +#include namespace Dumux { // forward declaration -template +template class FicksLawImplementation; /*! * \ingroup Flux * \brief Evaluates the diffusive mass flux according to Fick's law */ -template -using FicksLaw = FicksLawImplementation::discMethod>; +template +using FicksLaw = FicksLawImplementation::discMethod, referenceSystem>; } // end namespace Dumux diff --git a/dumux/flux/maxwellstefanslaw.hh b/dumux/flux/maxwellstefanslaw.hh index d6d83e2aec..288f6688ce 100644 --- a/dumux/flux/maxwellstefanslaw.hh +++ b/dumux/flux/maxwellstefanslaw.hh @@ -27,11 +27,12 @@ #include #include +#include namespace Dumux { // forward declaration -template +template class MaxwellStefansLawImplementation {}; @@ -39,8 +40,8 @@ class MaxwellStefansLawImplementation * \ingroup Flux * \brief Evaluates the diffusive mass flux according to Maxwell Stafan's law */ -template -using MaxwellStefansLaw = MaxwellStefansLawImplementation::discMethod>; +template +using MaxwellStefansLaw = MaxwellStefansLawImplementation::discMethod, referenceSystem>; } // end namespace diff --git a/dumux/flux/referencesystem.hh b/dumux/flux/referencesystem.hh new file mode 100644 index 0000000000..d37f6af8b6 --- /dev/null +++ b/dumux/flux/referencesystem.hh @@ -0,0 +1,44 @@ +// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*- +// vi: set et ts=4 sw=4 sts=4: +/***************************************************************************** + * See the file COPYING for full copying permissions. * + * * + * This program 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. * + * * + * This program 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 this program. If not, see . * + *****************************************************************************/ +/*! + * \file + * \ingroup Flux + * \brief The reference frameworks and formulations available for splitting total fluxes into a advective and diffusive part + */ + +#ifndef DUMUX_FLUX_REFERENCESYSTEM_HH +#define DUMUX_FLUX_REFERENCESYSTEM_HH + +namespace Dumux { + + /*! + * \brief The formulations available for Fick's law related to the reference system + * \ingroup Flux + * \note The total flux of a component can be split into an advective and a diffusive part. The advective part is in our framework determined by a momentum balance. Standard momentum balances, e.g. Navier-Stokes and Darcy's law give back mass-averaged velocites (see Multicomponent Mass Transfer, R. Taylor u. R. Krishna. J.), therefore as default we use the formulation of Fick's law which matches to these velocities (mass averaged formulation). + * + * This means that the diffusive fluxes are calculated with the mass fraction gradients and the unit of the fluxes is in kg/s. It is also possible to use a molar averaged reference system, which can be benefitial e.g. when it is known that the molar averaged advective velocity would be zero. When using a molar averaged reference velocity Fick's law is formulated with mole fraction gradients and the unit of the flux is mol/s. This means that depending on the reference system the units of the fluxes need to be adapted to be used in mass or mole balances. + */ + enum class ReferenceSystemFormulation + { + massAveraged, molarAveraged + }; + +} // end namespace Dumux + +#endif diff --git a/dumux/flux/staggered/freeflow/fickslaw.hh b/dumux/flux/staggered/freeflow/fickslaw.hh index 3a07a616a7..dbd01b1071 100644 --- a/dumux/flux/staggered/freeflow/fickslaw.hh +++ b/dumux/flux/staggered/freeflow/fickslaw.hh @@ -38,15 +38,15 @@ namespace Dumux { // forward declaration -template +template class FicksLawImplementation; /*! * \ingroup StaggeredFlux * \brief Specialization of Fick's Law for the staggered free flow method. */ -template -class FicksLawImplementation +template +class FicksLawImplementation { using Scalar = GetPropType; using FVGridGeometry = GetPropType; @@ -67,6 +67,8 @@ class FicksLawImplementation public: // state the discretization method this implementation belongs to static const DiscretizationMethod discMethod = DiscretizationMethod::staggered; + //return the reference system + static constexpr ReferenceSystemFormulation referenceSystemFormulation() { return referenceSystem; } //! state the type for the corresponding cache //! We don't cache anything for this law @@ -92,41 +94,40 @@ public: const auto& outsideVolVars = elemVolVars[scvf.outsideScvIdx()]; const Scalar insideDistance = (insideScv.dofPosition() - scvf.ipGlobal()).two_norm(); - const Scalar insideMolarDensity = insideVolVars.molarDensity(); + const Scalar insideDensity = (referenceSystem == ReferenceSystemFormulation::massAveraged) ? insideVolVars.density() : insideVolVars.molarDensity(); for (int compIdx = 0; compIdx < numComponents; ++compIdx) { if (compIdx == FluidSystem::getMainComponent(0)) continue; - const Scalar insideMoleFraction = insideVolVars.moleFraction(compIdx); - const Scalar outsideMoleFraction = outsideVolVars.moleFraction(compIdx); + const auto massOrMoleFractionInside = (referenceSystem == ReferenceSystemFormulation::massAveraged) ? insideVolVars.massFraction(compIdx) : insideVolVars.moleFraction(compIdx); + + const auto massOrMoleFractionOutside = (referenceSystem == ReferenceSystemFormulation::massAveraged) ? outsideVolVars.massFraction(compIdx) : outsideVolVars.moleFraction(compIdx); const Scalar insideD = insideVolVars.effectiveDiffusivity(0, compIdx) * insideVolVars.extrusionFactor(); if (scvf.boundary()) { - flux[compIdx] = insideMolarDensity * insideD - * (insideMoleFraction - outsideMoleFraction) / insideDistance; + flux[compIdx] = insideDensity * insideD + * (massOrMoleFractionInside - massOrMoleFractionOutside) / insideDistance; } else { const auto& outsideScv = fvGeometry.scv(scvf.outsideScvIdx()); const Scalar outsideD = outsideVolVars.effectiveDiffusivity(0, compIdx) * outsideVolVars.extrusionFactor(); const Scalar outsideDistance = (outsideScv.dofPosition() - scvf.ipGlobal()).two_norm(); - const Scalar outsideMolarDensity = outsideVolVars.molarDensity(); + const Scalar outsideDensity = (referenceSystem == ReferenceSystemFormulation::massAveraged) ? outsideVolVars.density() : outsideVolVars.molarDensity(); - const Scalar avgDensity = 0.5*(insideMolarDensity + outsideMolarDensity); + const Scalar avgDensity = 0.5*(insideDensity + outsideDensity); const Scalar avgD = harmonicMean(insideD, outsideD, insideDistance, outsideDistance); flux[compIdx] = avgDensity * avgD - * (insideMoleFraction - outsideMoleFraction) / (insideDistance + outsideDistance); + * (massOrMoleFractionInside - massOrMoleFractionOutside) / (insideDistance + outsideDistance); } } - // Fick's law (for binary systems) states that the net flux of moles within the bulk phase has to be zero: - // If a given amount of molecules A travel into one direction, the same amount of molecules B have to - // go into the opposite direction. + // Fick's law (for binary systems) states that the net flux of mass within the bulk phase has to be zero: const Scalar cumulativeFlux = std::accumulate(flux.begin(), flux.end(), 0.0); flux[FluidSystem::getMainComponent(0)] = -cumulativeFlux; diff --git a/dumux/flux/staggered/freeflow/maxwellstefanslaw.hh b/dumux/flux/staggered/freeflow/maxwellstefanslaw.hh index 9c0f83f336..b499a9dc5d 100644 --- a/dumux/flux/staggered/freeflow/maxwellstefanslaw.hh +++ b/dumux/flux/staggered/freeflow/maxwellstefanslaw.hh @@ -35,15 +35,15 @@ namespace Dumux { // forward declaration -template +template class MaxwellStefansLawImplementation; /*! * \ingroup StaggeredFlux * \brief Specialization of Maxwell Stefan's Law for the Staggered method. */ -template -class MaxwellStefansLawImplementation +template +class MaxwellStefansLawImplementation { using Scalar = GetPropType; using Problem = GetPropType; @@ -68,9 +68,13 @@ class MaxwellStefansLawImplementation static_assert(ModelTraits::numFluidPhases() == 1, "Only one phase allowed supported!"); + static_assert(referenceSystem == ReferenceSystemFormulation::massAveraged, "only the mass averaged reference system is supported for the Maxwell-Stefan formulation"); + public: // state the discretization method this implementation belongs to static const DiscretizationMethod discMethod = DiscretizationMethod::staggered; + //return the reference system + static constexpr ReferenceSystemFormulation referenceSystemFormulation() { return referenceSystem; } //! state the type for the corresponding cache and its filler //! We don't cache anything for this law @@ -95,8 +99,8 @@ public: // get inside/outside volume variables const auto& insideVolVars = elemVolVars[scvf.insideScvIdx()]; const auto& outsideVolVars = elemVolVars[scvf.outsideScvIdx()]; - const auto rhoInside = insideVolVars.molarDensity(); - const auto rhoOutside = outsideVolVars.molarDensity(); + const auto rhoInside = insideVolVars.density(); + const auto rhoOutside = outsideVolVars.density(); //to implement outflow boundaries correctly we need to loop over all components but the main component as only for the transported ones we implement the outflow boundary. diffusion then is 0. for(int compIdx = 0; compIdx < numComponents; ++compIdx) @@ -208,10 +212,12 @@ private: for (int compIIdx = 0; compIIdx < numComponents-1; compIIdx++) { const auto xi = volVars.moleFraction(compIIdx); + const auto Mavg = volVars.averageMolarMass(0); + const auto Mn = FluidSystem::molarMass(numComponents-1); const Scalar tin = volVars.effectiveDiffusivity(compIIdx, numComponents-1); // set the entries of the diffusion matrix of the diagonal - reducedDiffusionMatrix[compIIdx][compIIdx] += xi/tin; + reducedDiffusionMatrix[compIIdx][compIIdx] += xi*Mavg/(tin*Mn); for (int compJIdx = 0; compJIdx < numComponents; compJIdx++) { @@ -220,10 +226,12 @@ private: continue; const auto xj = volVars.moleFraction(compJIdx); + const auto Mi = FluidSystem::molarMass(compIIdx); + const auto Mj = FluidSystem::molarMass(compJIdx); const Scalar tij = volVars.effectiveDiffusivity(compIIdx, compJIdx); - reducedDiffusionMatrix[compIIdx][compIIdx] += xj/tij; + reducedDiffusionMatrix[compIIdx][compIIdx] += xj*Mavg/(tij*Mi); if (compJIdx < numComponents-1) - reducedDiffusionMatrix[compIIdx][compJIdx] += xi*(1/tin - 1/tij); + reducedDiffusionMatrix[compIIdx][compJIdx] += xi*(Mavg/(tin*Mn) - Mavg/(tij*Mj)); } } return reducedDiffusionMatrix; diff --git a/dumux/multidomain/boundary/stokesdarcy/couplingdata.hh b/dumux/multidomain/boundary/stokesdarcy/couplingdata.hh index 4d997a6487..1af4a2673b 100644 --- a/dumux/multidomain/boundary/stokesdarcy/couplingdata.hh +++ b/dumux/multidomain/boundary/stokesdarcy/couplingdata.hh @@ -30,6 +30,7 @@ #include #include #include +#include #include #include @@ -99,7 +100,7 @@ struct IsSameFluidSystem }; // forward declaration -template +template class FicksLawImplementation; /*! @@ -115,8 +116,8 @@ struct IsFicksLaw : public std::false_type {}; * \brief This structs indicates that Fick's law is used for diffusion. * \tparam DiffLaw The diffusion law. */ -template -struct IsFicksLaw> : public std::true_type {}; +template +struct IsFicksLaw> : public std::true_type {}; /*! * \ingroup StokesDarcyCoupling @@ -423,7 +424,9 @@ protected: const SubControlVolume& scv) const { using ThermalConductivityModel = GetPropType, Properties::ThermalConductivityModel>; - return ThermalConductivityModel::effectiveThermalConductivity(volVars); + const auto& problem = this->couplingManager().problem(darcyIdx); + return Deprecated::template effectiveThermalConductivity( + volVars, problem.spatialParams(), fvGeometry.fvGridGeometry().element(scv), fvGeometry, scv); } /*! @@ -706,13 +709,15 @@ class StokesDarcyCouplingDataImplementation, Properties::MolecularDiffusionType>>(); - static_assert(isFicksLaw == IsFicksLaw,Properties:: MolecularDiffusionType>>(), + static constexpr bool isFicksLaw = IsFicksLaw, MolecularDiffusionType)>(); + static_assert(isFicksLaw == IsFicksLaw, MolecularDiffusionType)>(), "Both submodels must use the same diffusion law."); using ReducedComponentVector = Dune::FieldVector; using ReducedComponentMatrix = Dune::FieldMatrix; + using MolecularDiffusionType = typename GET_PROP_TYPE(SubDomainTypeTag, MolecularDiffusionType); + public: using ParentType::ParentType; using ParentType::couplingPhaseIdx; @@ -859,11 +864,18 @@ protected: else //maxwell stefan diffusiveFlux += diffusiveMolecularFluxMaxwellStefan_(domainI, domainJ, scvf, insideScv, outsideScv, insideVolVars, outsideVolVars); - if(!useMoles) + //convert everything to a molar flux by deviding with molar mass of component + if (MolecularDiffusionType::referenceSystemFormulation() == ReferenceSystemFormulation::massAveraged) + { + if (useMoles) + for(int compIdx = 0; compIdx < numComponents; ++compIdx) + diffusiveFlux[compIdx] *=1/ FluidSystem::molarMass(compIdx); + } + else { - //convert everything to a mass flux - for(int compIdx = 0; compIdx < numComponents; ++compIdx) - diffusiveFlux[compIdx] *= FluidSystem::molarMass(compIdx); + if (!useMoles) + for(int compIdx = 0; compIdx < numComponents; ++compIdx) + diffusiveFlux[compIdx] *=FluidSystem::molarMass(compIdx); } flux += diffusiveFlux; @@ -906,7 +918,7 @@ protected: */ Scalar diffusionCoefficientMS_(const VolumeVariables& volVars, int phaseIdx, int compIIdx, int compJIdx) const { - using EffDiffModel = GetPropType, Properties::EffectiveDiffusivityModel>; + using EffDiffModel = typename GET_PROP_TYPE(SubDomainTypeTag, EffectiveDiffusivityModel); auto fluidState = volVars.fluidState(); typename FluidSystem::ParameterCache paramCache; paramCache.updateAll(fluidState); @@ -978,10 +990,12 @@ protected: { const int domainICompIIdx = couplingCompIdx(domainI, compIIdx); const auto xi = volVarsI.moleFraction(couplingPhaseIdx(domainI), domainICompIIdx); + const auto Mavg = volVarsI.fluidState().averageMolarMass(couplingPhaseIdx(domainI)); + const auto Mn = FluidSystem::molarMass(numComponents-1); Scalar tin = diffusionCoefficientMS_(volVarsI, couplingPhaseIdx(domainI), domainICompIIdx, couplingCompIdx(domainI, numComponents-1)); // set the entries of the diffusion matrix of the diagonal - reducedDiffusionMatrixInside[domainICompIIdx][domainICompIIdx] += xi/tin; + reducedDiffusionMatrixInside[domainICompIIdx][domainICompIIdx] += xi*Mavg/(tin*Mn); for (int compJIdx = 0; compJIdx < numComponents; compJIdx++) { @@ -992,9 +1006,11 @@ protected: continue; const auto xj = volVarsI.moleFraction(couplingPhaseIdx(domainI), domainICompJIdx); + const auto Mi = FluidSystem::molarMass(domainICompIIdx); + const auto Mj = FluidSystem::molarMass(domainICompJIdx); Scalar tij = diffusionCoefficientMS_(volVarsI, couplingPhaseIdx(domainI), domainICompIIdx, domainICompJIdx); - reducedDiffusionMatrixInside[domainICompIIdx][domainICompIIdx] += xj/tij; - reducedDiffusionMatrixInside[domainICompIIdx][domainICompJIdx] += xi*(1/tin - 1/tij); + reducedDiffusionMatrixInside[domainICompIIdx][domainICompIIdx] += xj*Mavg/(tij*Mi); + reducedDiffusionMatrixInside[domainICompIIdx][domainICompJIdx] +=xi*(Mavg/(tin*Mn) - Mavg/(tij*Mj)); } } //outside matrix @@ -1004,10 +1020,12 @@ protected: const int domainICompIIdx = couplingCompIdx(domainI, compIIdx); const auto xi =volVarsJ.moleFraction(couplingPhaseIdx(domainJ), domainJCompIIdx); + const auto Mavg = volVarsJ.fluidState().averageMolarMass(couplingPhaseIdx(domainJ)); + const auto Mn = FluidSystem::molarMass(numComponents-1); Scalar tin =diffusionCoefficientMS_(volVarsJ, couplingPhaseIdx(domainJ), domainJCompIIdx, couplingCompIdx(domainJ, numComponents-1)); // set the entries of the diffusion matrix of the diagonal - reducedDiffusionMatrixOutside[domainICompIIdx][domainICompIIdx] += xi/tin; + reducedDiffusionMatrixOutside[domainICompIIdx][domainICompIIdx] += xi*Mavg/(tin*Mn); for (int compJIdx = 0; compJIdx < numComponents; compJIdx++) { @@ -1019,9 +1037,11 @@ protected: continue; const auto xj = volVarsJ.moleFraction(couplingPhaseIdx(domainJ), domainJCompJIdx); + const auto Mi = FluidSystem::molarMass(domainJCompIIdx); + const auto Mj = FluidSystem::molarMass(domainJCompJIdx); Scalar tij = diffusionCoefficientMS_(volVarsJ, couplingPhaseIdx(domainJ), domainJCompIIdx, domainJCompJIdx); - reducedDiffusionMatrixOutside[domainICompIIdx][domainICompIIdx] += xj/tij; - reducedDiffusionMatrixOutside[domainICompIIdx][domainICompJIdx] += xi*(1/tin - 1/tij); + reducedDiffusionMatrixOutside[domainICompIIdx][domainICompIIdx] += xj*Mavg/(tij*Mi); + reducedDiffusionMatrixOutside[domainICompIIdx][domainICompJIdx] +=xi*(Mavg/(tin*Mn) - Mavg/(tij*Mj)); } } @@ -1029,9 +1049,9 @@ protected: Scalar omegaj = 1/outsideDistance; reducedDiffusionMatrixInside.invert(); - reducedDiffusionMatrixInside *= omegai*volVarsI.molarDensity(couplingPhaseIdx(domainI)); + reducedDiffusionMatrixInside *= omegai*volVarsI.density(couplingPhaseIdx(domainI)); reducedDiffusionMatrixOutside.invert(); - reducedDiffusionMatrixOutside *= omegaj*volVarsJ.molarDensity(couplingPhaseIdx(domainJ)); + reducedDiffusionMatrixOutside *= omegaj*volVarsJ.density(couplingPhaseIdx(domainJ)); //in the helpervector we store the values for x* ReducedComponentVector helperVector(0.0); @@ -1075,7 +1095,11 @@ protected: { NumEqVector diffusiveFlux(0.0); - const Scalar avgMolarDensity = 0.5 * volVarsI.molarDensity(couplingPhaseIdx(domainI)) + 0.5 * volVarsJ.molarDensity(couplingPhaseIdx(domainJ)); + const auto rhoInside = (MolecularDiffusionType::referenceSystemFormulation() == ReferenceSystemFormulation::massAveraged) ? volVarsI.density(couplingPhaseIdx(domainI)) : volVarsI.molarDensity(couplingPhaseIdx(domainI)); + + const auto rhoOutside = (MolecularDiffusionType::referenceSystemFormulation() == ReferenceSystemFormulation::massAveraged) ? volVarsJ.density(couplingPhaseIdx(domainJ)) : volVarsJ.molarDensity(couplingPhaseIdx(domainJ)); + + const Scalar avgDensity = 0.5 * rhoInside + 0.5 * rhoOutside; const Scalar insideDistance = this->getDistance_(scvI, scvfI); const Scalar outsideDistance = this->getDistance_(scvJ, scvfI); @@ -1087,7 +1111,11 @@ protected: assert(FluidSystem::componentName(domainICompIdx) == FluidSystem::componentName(domainJCompIdx)); - const Scalar deltaMoleFrac = volVarsJ.moleFraction(couplingPhaseIdx(domainJ), domainJCompIdx) - volVarsI.moleFraction(couplingPhaseIdx(domainI), domainICompIdx); + const auto massOrMoleFractionInside = (MolecularDiffusionType::referenceSystemFormulation() == ReferenceSystemFormulation::massAveraged) ?volVarsI.massFraction(couplingPhaseIdx(domainI), domainICompIdx) : volVarsI.moleFraction(couplingPhaseIdx(domainI), domainICompIdx); + + const auto massOrMoleFractionOutside = (MolecularDiffusionType::referenceSystemFormulation() == ReferenceSystemFormulation::massAveraged) ?volVarsJ.massFraction(couplingPhaseIdx(domainJ), domainJCompIdx): volVarsJ.moleFraction(couplingPhaseIdx(domainJ), domainJCompIdx); + + const Scalar deltaMassOrMoleFrac = massOrMoleFractionOutside - massOrMoleFractionInside; const Scalar tij = this->transmissibility_(domainI, domainJ, insideDistance, @@ -1095,7 +1123,7 @@ protected: diffusionCoefficient_(volVarsI, couplingPhaseIdx(domainI), domainICompIdx), diffusionCoefficient_(volVarsJ, couplingPhaseIdx(domainJ), domainJCompIdx), diffCoeffAvgType); - diffusiveFlux[domainICompIdx] += -avgMolarDensity * tij * deltaMoleFrac; + diffusiveFlux[domainICompIdx] += -avgDensity * tij * deltaMassOrMoleFrac; } const Scalar cumulativeFlux = std::accumulate(diffusiveFlux.begin(), diffusiveFlux.end(), 0.0); @@ -1146,10 +1174,10 @@ protected: getComponentEnthalpy(insideVolVars, couplingPhaseIdx(domainI), domainICompIdx) : getComponentEnthalpy(outsideVolVars, couplingPhaseIdx(domainJ), domainJCompIdx); - // always use a mass-based calculation for the energy balance - diffusiveFlux[domainICompIdx] *= FluidSystem::molarMass(domainICompIdx); - - flux += diffusiveFlux[domainICompIdx] * componentEnthalpy; + if (MolecularDiffusionType::referenceSystemFormulation() == ReferenceSystemFormulation::massAveraged) + flux += diffusiveFlux[domainICompIdx] * componentEnthalpy; + else + flux += diffusiveFlux[domainICompIdx] * FluidSystem::molarMass(domainICompIdx) * componentEnthalpy; } return flux; -- GitLab From af178649b587214430343343d90d97659bf914cf Mon Sep 17 00:00:00 2001 From: Katharina Heck Date: Thu, 5 Sep 2019 15:22:44 +0200 Subject: [PATCH 03/28] [freeflow] change diffusive flux computation to mass averaged reference system and adapt units of fluxes accordingly --- dumux/freeflow/compositional/navierstokesncmodel.hh | 4 ++-- dumux/freeflow/compositional/staggered/fluxvariables.hh | 8 +++++++- dumux/freeflow/compositional/volumevariables.hh | 8 ++++++++ dumux/freeflow/nonisothermal/localresidual.hh | 9 +++++---- 4 files changed, 22 insertions(+), 7 deletions(-) diff --git a/dumux/freeflow/compositional/navierstokesncmodel.hh b/dumux/freeflow/compositional/navierstokesncmodel.hh index c909318257..b7958d0155 100644 --- a/dumux/freeflow/compositional/navierstokesncmodel.hh +++ b/dumux/freeflow/compositional/navierstokesncmodel.hh @@ -26,7 +26,7 @@ * \f[ * \frac{\partial \left(\varrho X^\kappa\right)}{\partial t} * + \nabla \cdot \left( \varrho {\boldsymbol{v}} X^\kappa - * - (D^\kappa + D_\text{t}) \varrho \frac{M^\kappa}{M} \textbf{grad}\, x^\kappa \right) + * - (D^\kappa + D_\text{t}) \varrho \textbf{grad}\, X^\kappa \right) * - q^\kappa = 0 * \f] * @@ -35,7 +35,7 @@ * \frac{\partial \varrho_g}{\partial t} * + \nabla \cdot \left( * \varrho {\boldsymbol{v}} - * - \sum_\kappa (D^\kappa + D_\text{t}) \varrho \frac{M^\kappa}{M} \textbf{grad}\, x^\kappa + * - \sum_\kappa (D^\kappa + D_\text{t}) \varrho \textbf{grad}\, X^\kappa * \right) * - q = 0 * \f] diff --git a/dumux/freeflow/compositional/staggered/fluxvariables.hh b/dumux/freeflow/compositional/staggered/fluxvariables.hh index 32ae6f4610..de283bab6f 100644 --- a/dumux/freeflow/compositional/staggered/fluxvariables.hh +++ b/dumux/freeflow/compositional/staggered/fluxvariables.hh @@ -86,7 +86,13 @@ public: flux[compIdx] = ParentType::advectiveFluxForCellCenter(problem, elemVolVars, elemFaceVars, scvf, upwindTerm); - flux[compIdx] += useMoles ? diffusiveFluxes[compIdx] : diffusiveFluxes[compIdx]*FluidSystem::molarMass(compIdx); + //check for the reference system and adapt units of the diffusive flux accordingly. + if (MolecularDiffusionType::referenceSystemFormulation() == ReferenceSystemFormulation::massAveraged) + { + flux[compIdx] += useMoles ? diffusiveFluxes[compIdx]/FluidSystem::molarMass(compIdx) : diffusiveFluxes[compIdx]; + } + else + flux[compIdx] += useMoles ? diffusiveFluxes[compIdx] : diffusiveFluxes[compIdx]*FluidSystem::molarMass(compIdx); } // in case one balance is substituted by the total mass balance diff --git a/dumux/freeflow/compositional/volumevariables.hh b/dumux/freeflow/compositional/volumevariables.hh index a9ccb5ae87..8be88d881c 100644 --- a/dumux/freeflow/compositional/volumevariables.hh +++ b/dumux/freeflow/compositional/volumevariables.hh @@ -245,6 +245,14 @@ public: return FluidSystem::molarMass(compIdx); } + /*! + * \brief Returns the average molar mass \f$\mathrm{[kg/mol]}\f$$ the of the fluid phase. + * + * \param phaseIdx The phase index + */ + Scalar averageMolarMass(const int phaseIdx = 0) const + { return fluidState_.averageMolarMass(phaseIdx); } + /*! * \brief Returns the diffusion coefficient \f$\mathrm{[m^2/s]}\f$ * diff --git a/dumux/freeflow/nonisothermal/localresidual.hh b/dumux/freeflow/nonisothermal/localresidual.hh index 773157340b..0a5475a3a7 100644 --- a/dumux/freeflow/nonisothermal/localresidual.hh +++ b/dumux/freeflow/nonisothermal/localresidual.hh @@ -25,6 +25,7 @@ #define DUMUX_FREE_FLOW_ENERGY_LOCAL_RESIDUAL_HH #include +#include namespace Dumux { @@ -158,11 +159,11 @@ public: const bool insideIsUpstream = scvf.directionSign() == sign(diffusiveFlux[compIdx]); const auto& upstreamVolVars = insideIsUpstream ? elemVolVars[scvf.insideScvIdx()] : elemVolVars[scvf.outsideScvIdx()]; - // always use a mass-based calculation for the energy balance - if (FluxVariables::useMoles) - diffusiveFlux[compIdx] *= elemVolVars[scvf.insideScvIdx()].molarMass(compIdx); + if (FluxVariables::MolecularDiffusionType::referenceSystemFormulation() == ReferenceSystemFormulation::massAveraged) + flux[localEnergyBalanceIdx] += diffusiveFlux[compIdx] * upstreamVolVars.componentEnthalpy(compIdx); + else + flux[localEnergyBalanceIdx] += diffusiveFlux[compIdx] * upstreamVolVars.componentEnthalpy(compIdx)* elemVolVars[scvf.insideScvIdx()].molarMass(compIdx); - flux[localEnergyBalanceIdx] += diffusiveFlux[compIdx] * upstreamVolVars.componentEnthalpy(compIdx); } } }; -- GitLab From 99d7595a995884fe0be4dc76c7b9591b59e8d292 Mon Sep 17 00:00:00 2001 From: Katharina Heck Date: Thu, 5 Sep 2019 15:26:24 +0200 Subject: [PATCH 04/28] [porousmedium][fluxvariablescache] adpat cache for mpfa due to changes in Ficks law to mass reference system --- dumux/porousmediumflow/fluxvariablescachefiller.hh | 9 +++++---- 1 file changed, 5 insertions(+), 4 deletions(-) diff --git a/dumux/porousmediumflow/fluxvariablescachefiller.hh b/dumux/porousmediumflow/fluxvariablescachefiller.hh index 04cf95b0c9..22f6896209 100644 --- a/dumux/porousmediumflow/fluxvariablescachefiller.hh +++ b/dumux/porousmediumflow/fluxvariablescachefiller.hh @@ -28,6 +28,7 @@ #include #include +#include #include namespace Dumux { @@ -666,8 +667,8 @@ private: LambdaFactory::getDiffusionLambda(phaseIdx, compIdx)); // assemble vector of mole fractions - auto getMoleFraction = [phaseIdx, compIdx] (const auto& volVars) { return volVars.moleFraction(phaseIdx, compIdx); }; - localAssembler.assembleU(handle.diffusionHandle(), iv, getMoleFraction); + auto getMassOrMoleFraction = [phaseIdx, compIdx] (const auto& volVars) { return (DiffusionType::referenceSystemFormulation() == ReferenceSystemFormulation::massAveraged) ?volVars.massFraction(phaseIdx, compIdx) : volVars.moleFraction(phaseIdx, compIdx); }; + localAssembler.assembleU(handle.diffusionHandle(), iv, getMassOrMoleFraction); } //! prepares the quantities necessary for conductive fluxes in the handle @@ -692,8 +693,8 @@ private: LambdaFactory::template getHeatConductionLambda()); // assemble vector of temperatures - auto getMoleFraction = [] (const auto& volVars) { return volVars.temperature(); }; - localAssembler.assembleU(handle.heatConductionHandle(), iv, getMoleFraction); + auto getTemperature = [] (const auto& volVars) { return volVars.temperature(); }; + localAssembler.assembleU(handle.heatConductionHandle(), iv, getTemperature); } //! fill handle only when advection uses mpfa -- GitLab From 96ebfc7312346c8f75d1024325990781fe65b98d Mon Sep 17 00:00:00 2001 From: Katharina Heck Date: Thu, 5 Sep 2019 15:31:51 +0200 Subject: [PATCH 05/28] [porousmedium][compositional] add check for reference system in localresidual and change units of the diffusive flux accoridingly. For mass averaged systems the unit of the diffusive flux is in kg/s so has to be devided by the molar mass for useMoles = true --- dumux/porousmediumflow/3p3c/localresidual.hh | 42 ++++++++++++++++--- .../3pwateroil/localresidual.hh | 35 ++++++++++++---- .../compositional/localresidual.hh | 20 +++++++-- .../nonequilibrium/localresidual.hh | 11 ++++- .../nonequilibrium/thermal/localresidual.hh | 7 +++- .../richards/localresidual.hh | 8 +++- .../porousmediumflow/tracer/localresidual.hh | 40 ++++++++++++++---- 7 files changed, 137 insertions(+), 26 deletions(-) diff --git a/dumux/porousmediumflow/3p3c/localresidual.hh b/dumux/porousmediumflow/3p3c/localresidual.hh index 7ddc3456b2..a890716751 100644 --- a/dumux/porousmediumflow/3p3c/localresidual.hh +++ b/dumux/porousmediumflow/3p3c/localresidual.hh @@ -137,6 +137,7 @@ public: { FluxVariables fluxVars; fluxVars.init(problem, element, fvGeometry, elemVolVars, scvf, elemFluxVarsCache); + auto referenceSystemFormulation = FluxVariables::MolecularDiffusionType::referenceSystemFormulation(); // get upwind weights into local scope NumEqVector flux(0.0); @@ -164,15 +165,44 @@ public: const auto diffusionFluxesWPhase = fluxVars.molecularDiffusionFlux(wPhaseIdx); // diffusive fluxes - Scalar jGW = diffusionFluxesWPhase[gCompIdx]; - Scalar jNW = diffusionFluxesWPhase[nCompIdx]; - Scalar jWW = -(jGW+jNW); + Scalar jGW = 0.0; + Scalar jNW = 0.0; + Scalar jWW = 0.0; + + //check for the reference system and adapt units of the diffusive flux accordingly. + if (referenceSystemFormulation == ReferenceSystemFormulation::massAveraged) + { + jGW += diffusionFluxesWPhase[gCompIdx]/FluidSystem::molarMass(gCompIdx); + jNW += diffusionFluxesWPhase[nCompIdx]/FluidSystem::molarMass(nCompIdx); + } + else + { + jGW += diffusionFluxesWPhase[gCompIdx]; + jNW += diffusionFluxesWPhase[nCompIdx]; + } + + jWW += -(jGW+jNW); + const auto diffusionFluxesGPhase = fluxVars.molecularDiffusionFlux(gPhaseIdx); - Scalar jWG = diffusionFluxesGPhase[wCompIdx]; - Scalar jNG = diffusionFluxesGPhase[nCompIdx]; - Scalar jGG = -(jWG+jNG); + Scalar jWG = 0.0; + Scalar jNG = 0.0; + Scalar jGG = 0.0; + + //check for the reference system and adapt units of the diffusive flux accordingly. + if (referenceSystemFormulation == ReferenceSystemFormulation::massAveraged) + { + jWG += diffusionFluxesGPhase[wCompIdx]/FluidSystem::molarMass(wCompIdx); + jNG += diffusionFluxesGPhase[nCompIdx]/FluidSystem::molarMass(nCompIdx); + } + else + { + jWG += diffusionFluxesGPhase[wCompIdx]; + jNG += diffusionFluxesGPhase[nCompIdx]; + } + + jGG += -(jWG+jNG); // At the moment we do not consider diffusion in the NAPL phase Scalar jWN = 0.0; diff --git a/dumux/porousmediumflow/3pwateroil/localresidual.hh b/dumux/porousmediumflow/3pwateroil/localresidual.hh index 62fe0f71fb..42cd8efbf1 100644 --- a/dumux/porousmediumflow/3pwateroil/localresidual.hh +++ b/dumux/porousmediumflow/3pwateroil/localresidual.hh @@ -174,19 +174,40 @@ public: const auto diffusionFluxesWPhase = fluxVars.molecularDiffusionFlux(wPhaseIdx); + Scalar jNW = 0.0; + Scalar jWW = 0.0; // diffusive fluxes - Scalar jNW = diffusionFluxesWPhase[nCompIdx]; - Scalar jWW = -(jNW); + //check for the reference system and adapt units of the diffusive flux accordingly. + if (FluxVariables::MolecularDiffusionType::referenceSystemFormulation() == ReferenceSystemFormulation::massAveraged) + jNW += diffusionFluxesWPhase[nCompIdx]/FluidSystem::molarMass(nCompIdx); + else + jNW += diffusionFluxesWPhase[nCompIdx]; + + jWW += -(jNW); const auto diffusionFluxesGPhase = fluxVars.molecularDiffusionFlux(gPhaseIdx); - Scalar jWG = diffusionFluxesGPhase[wCompIdx]; - Scalar jNG = -(jWG); + Scalar jWG = 0.0; + Scalar jNG = 0.0; + + if (FluxVariables::MolecularDiffusionType::referenceSystemFormulation() == ReferenceSystemFormulation::massAveraged) + jWG += diffusionFluxesGPhase[wCompIdx]/FluidSystem::molarMass(wCompIdx); + else + jWG += diffusionFluxesGPhase[wCompIdx]; + + jNG += -(jWG); const auto diffusionFluxesNPhase = fluxVars.molecularDiffusionFlux(nPhaseIdx); - // At the moment we do not consider diffusion in the NAPL phase - Scalar jWN = diffusionFluxesNPhase[wCompIdx]; - Scalar jNN = -jWN; + + Scalar jWN = 0.0; + Scalar jNN = 0.0; + + if (FluxVariables::MolecularDiffusionType::referenceSystemFormulation() == ReferenceSystemFormulation::massAveraged) + jWN += diffusionFluxesNPhase[wCompIdx]/FluidSystem::molarMass(wCompIdx); + else + jWN += diffusionFluxesNPhase[wCompIdx]; + + jNN += -jWN; flux[conti0EqIdx] += jWW+jWG+jWN; flux[conti1EqIdx] += jNW+jNG+jNN; diff --git a/dumux/porousmediumflow/compositional/localresidual.hh b/dumux/porousmediumflow/compositional/localresidual.hh index daf41fee95..f878772ead 100644 --- a/dumux/porousmediumflow/compositional/localresidual.hh +++ b/dumux/porousmediumflow/compositional/localresidual.hh @@ -143,6 +143,7 @@ public: { FluxVariables fluxVars; fluxVars.init(problem, element, fvGeometry, elemVolVars, scvf, elemFluxVarsCache); + auto referenceSystemFormulation = FluxVariables::MolecularDiffusionType::referenceSystemFormulation(); // get upwind weights into local scope NumEqVector flux(0.0); @@ -170,8 +171,15 @@ public: // diffusive fluxes (only for the component balances) if(eqIdx != replaceCompEqIdx) - flux[eqIdx] += useMoles ? diffusiveFluxes[compIdx] + { + //check for the reference system and adapt units of the diffusive flux accordingly. + if (referenceSystemFormulation == ReferenceSystemFormulation::massAveraged) + flux[eqIdx] += useMoles ? diffusiveFluxes[compIdx]/FluidSystem::molarMass(compIdx) + : diffusiveFluxes[compIdx]; + else + flux[eqIdx] += useMoles ? diffusiveFluxes[compIdx] : diffusiveFluxes[compIdx]*FluidSystem::molarMass(compIdx); + } } // in case one balance is substituted by the total mole balance @@ -184,8 +192,14 @@ public: flux[replaceCompEqIdx] += fluxVars.advectiveFlux(phaseIdx, upwindTerm); for(int compIdx = 0; compIdx < numComponents; ++compIdx) - flux[replaceCompEqIdx] += useMoles ? diffusiveFluxes[compIdx] - : diffusiveFluxes[compIdx]*FluidSystem::molarMass(compIdx); + { + //check for the reference system and adapt units of the diffusive flux accordingly. + if (referenceSystemFormulation == ReferenceSystemFormulation::massAveraged) + flux[replaceCompEqIdx] += useMoles ? diffusiveFluxes[compIdx]/FluidSystem::molarMass(compIdx) : diffusiveFluxes[compIdx]; + else + flux[replaceCompEqIdx] += useMoles ? diffusiveFluxes[compIdx] + : diffusiveFluxes[compIdx]*FluidSystem::molarMass(compIdx); + } } //! Add advective phase energy fluxes. For isothermal model the contribution is zero. diff --git a/dumux/porousmediumflow/nonequilibrium/localresidual.hh b/dumux/porousmediumflow/nonequilibrium/localresidual.hh index 971015036a..c91676823d 100644 --- a/dumux/porousmediumflow/nonequilibrium/localresidual.hh +++ b/dumux/porousmediumflow/nonequilibrium/localresidual.hh @@ -59,6 +59,7 @@ class NonEquilibriumLocalResidualImplementation: public GetPropT using ElementVolumeVariables = typename GetPropType::LocalView; using EnergyLocalResidual = GetPropType; using ModelTraits = GetPropType; + using FluidSystem = GetPropType; using Indices = typename ModelTraits::Indices; static constexpr int numPhases = ModelTraits::numFluidPhases(); @@ -116,6 +117,10 @@ public: flux[eqIdx] += fluxVars.advectiveFlux(phaseIdx, upwindTerm); // diffusive fluxes (only for the component balances) + //check for the reference system and adapt units of the diffusive flux accordingly. + if (FluxVariables::MolecularDiffusionType::referenceSystemFormulation() == ReferenceSystemFormulation::massAveraged) + flux[eqIdx] += diffusiveFluxes[compIdx]/FluidSystem::molarMass(compIdx); + else flux[eqIdx] += diffusiveFluxes[compIdx]; } @@ -271,7 +276,11 @@ public: // do not add diffusive flux of main component, as that is not done in master as well if (compIdx == phaseIdx) continue; - flux[eqIdx] += diffusiveFluxes[compIdx]; + //check for the reference system and adapt units of the diffusive flux accordingly. + if (FluxVariables::MolecularDiffusionType::referenceSystemFormulation() == ReferenceSystemFormulation::massAveraged) + flux[eqIdx] += diffusiveFluxes[compIdx]/FluidSystem::molarMass(compIdx); + else + flux[eqIdx] += diffusiveFluxes[compIdx]; } //! Add advective phase energy fluxes. For isothermal model the contribution is zero. EnergyLocalResidual::heatConvectionFlux(flux, fluxVars, phaseIdx); diff --git a/dumux/porousmediumflow/nonequilibrium/thermal/localresidual.hh b/dumux/porousmediumflow/nonequilibrium/thermal/localresidual.hh index 63d5a5c30e..9d82d6d5ee 100644 --- a/dumux/porousmediumflow/nonequilibrium/thermal/localresidual.hh +++ b/dumux/porousmediumflow/nonequilibrium/thermal/localresidual.hh @@ -128,7 +128,12 @@ public: enthalpy += insideVolVars.enthalpy(phaseIdx); else enthalpy += outsideVolVars.enthalpy(phaseIdx); - flux[energyEq0Idx] += diffusiveFluxes[compIdx]*FluidSystem::molarMass(compIdx)*enthalpy; + + //check for the reference system and adapt units of the diffusive flux accordingly. + if (FluxVariables::MolecularDiffusionType::referenceSystemFormulation() == ReferenceSystemFormulation::massAveraged) + flux[energyEq0Idx] += diffusiveFluxes[compIdx]*enthalpy; + else + flux[energyEq0Idx] += diffusiveFluxes[compIdx]*FluidSystem::molarMass(compIdx)*enthalpy; } } diff --git a/dumux/porousmediumflow/richards/localresidual.hh b/dumux/porousmediumflow/richards/localresidual.hh index 117e116395..f89f81466a 100644 --- a/dumux/porousmediumflow/richards/localresidual.hh +++ b/dumux/porousmediumflow/richards/localresidual.hh @@ -148,7 +148,13 @@ public: // for extended Richards we consider water vapor diffusion in air if (enableWaterDiffusionInAir) - flux[conti0EqIdx] += fluxVars.molecularDiffusionFlux(gasPhaseIdx)[liquidCompIdx]*FluidSystem::molarMass(liquidCompIdx); + { + //check for the reference system and adapt units of the diffusive flux accordingly. + if (FluxVariables::MolecularDiffusionType::referenceSystemFormulation() == ReferenceSystemFormulation::massAveraged) + flux[conti0EqIdx] += fluxVars.molecularDiffusionFlux(gasPhaseIdx)[liquidCompIdx]; + else + flux[conti0EqIdx] += fluxVars.molecularDiffusionFlux(gasPhaseIdx)[liquidCompIdx]*FluidSystem::molarMass(liquidCompIdx); + } //! Add advective phase energy fluxes for the water phase only. For isothermal model the contribution is zero. EnergyLocalResidual::heatConvectionFlux(flux, fluxVars, liquidPhaseIdx); diff --git a/dumux/porousmediumflow/tracer/localresidual.hh b/dumux/porousmediumflow/tracer/localresidual.hh index b9328089ee..538eeaf18d 100644 --- a/dumux/porousmediumflow/tracer/localresidual.hh +++ b/dumux/porousmediumflow/tracer/localresidual.hh @@ -138,7 +138,10 @@ public: // advective fluxes flux[compIdx] += fluxVars.advectiveFlux(phaseIdx, upwindTerm); // diffusive fluxes - flux[compIdx] += diffusiveFluxes[compIdx]; + if (FluxVariables::MolecularDiffusionType::referenceSystemFormulation() == ReferenceSystemFormulation::massAveraged) + flux[compIdx] += diffusiveFluxes[compIdx]/FluidSystem::molarMass(compIdx); + else + flux[compIdx] += diffusiveFluxes[compIdx]; } } // formulation with mass balances @@ -153,7 +156,10 @@ public: // advective fluxes flux[compIdx] += fluxVars.advectiveFlux(phaseIdx, upwindTerm); // diffusive fluxes - flux[compIdx] += diffusiveFluxes[compIdx]*FluidSystem::molarMass(compIdx); + if (FluxVariables::MolecularDiffusionType::referenceSystemFormulation() == ReferenceSystemFormulation::massAveraged) + flux[compIdx] += diffusiveFluxes[compIdx]; + else + flux[compIdx] += diffusiveFluxes[compIdx]*FluidSystem::molarMass(compIdx); } } @@ -237,14 +243,28 @@ public: const auto advDerivIJ = volFlux*rho(outsideVolVars)*outsideWeight; // diffusive term + auto referenceSystemFormulation = FluxVariables::MolecularDiffusionType::referenceSystemFormulation(); + const auto& fluxCache = elemFluxVarsCache[scvf]; - const auto rhoMolar = 0.5*(insideVolVars.molarDensity() + outsideVolVars.molarDensity()); + const auto rhoInside = (referenceSystemFormulation == ReferenceSystemFormulation::massAveraged) ? insideVolVars.density(phaseIdx) : insideVolVars.molarDensity(phaseIdx); + + const auto rhoOutside = (referenceSystemFormulation == ReferenceSystemFormulation::massAveraged) ? outsideVolVars.density(phaseIdx) : outsideVolVars.molarDensity(phaseIdx); + const auto massOrMolarDensity = 0.5*(rhoInside + rhoOutside); for (int compIdx = 0; compIdx < numComponents; ++compIdx) { // diffusive term - const auto diffDeriv = useMoles ? rhoMolar*fluxCache.diffusionTij(phaseIdx, compIdx) - : rhoMolar*fluxCache.diffusionTij(phaseIdx, compIdx)*FluidSystem::molarMass(compIdx); + auto diffDeriv = 0.0; + if (referenceSystemFormulation == ReferenceSystemFormulation::massAveraged) + { + diffDeriv = useMoles ? massOrMolarDensity*fluxCache.diffusionTij(phaseIdx, compIdx)/FluidSystem::molarMass(compIdx) + : massOrMolarDensity*fluxCache.diffusionTij(phaseIdx, compIdx); + } + else + { + diffDeriv = useMoles ? massOrMolarDensity*fluxCache.diffusionTij(phaseIdx, compIdx) + : massOrMolarDensity*fluxCache.diffusionTij(phaseIdx, compIdx)*FluidSystem::molarMass(compIdx); + } derivativeMatrices[scvf.insideScvIdx()][compIdx][compIdx] += (advDerivII + diffDeriv); derivativeMatrices[scvf.outsideScvIdx()][compIdx][compIdx] += (advDerivIJ - diffDeriv); @@ -282,6 +302,7 @@ public: const auto advDerivIJ = volFlux*rho(outsideVolVars)*outsideWeight; // diffusive term + auto referenceSystemFormulation = FluxVariables::MolecularDiffusionType::referenceSystemFormulation(); using DiffusionType = GetPropType; const auto ti = DiffusionType::calculateTransmissibilities(problem, element, @@ -298,8 +319,13 @@ public: for (const auto& scv : scvs(fvGeometry)) { // diffusive term - const auto diffDeriv = useMoles ? ti[compIdx][scv.indexInElement()] - : ti[compIdx][scv.indexInElement()]*FluidSystem::molarMass(compIdx); + auto diffDeriv = 0.0; + if (referenceSystemFormulation == ReferenceSystemFormulation::massAveraged) + diffDeriv += useMoles ? ti[compIdx][scv.indexInElement()]/FluidSystem::molarMass(compIdx) + : ti[compIdx][scv.indexInElement()]; + else + diffDeriv += useMoles ? ti[compIdx][scv.indexInElement()] + : ti[compIdx][scv.indexInElement()]*FluidSystem::molarMass(compIdx); A[insideScv.dofIndex()][scv.dofIndex()][compIdx][compIdx] += diffDeriv; A[outsideScv.dofIndex()][scv.dofIndex()][compIdx][compIdx] -= diffDeriv; } -- GitLab From 0bec79e2b86db5a19a1d28c657c12625d116f820 Mon Sep 17 00:00:00 2001 From: Katharina Heck Date: Thu, 5 Sep 2019 15:33:53 +0200 Subject: [PATCH 06/28] [docu] update model descriptions with new version of Ficks law --- dumux/porousmediumflow/1pnc/model.hh | 2 +- dumux/porousmediumflow/2p2c/model.hh | 4 ++-- dumux/porousmediumflow/3p3c/model.hh | 4 ++-- dumux/porousmediumflow/3pwateroil/model.hh | 4 ++-- dumux/porousmediumflow/richardsnc/model.hh | 4 +--- dumux/porousmediumflow/tracer/model.hh | 2 +- 6 files changed, 9 insertions(+), 11 deletions(-) diff --git a/dumux/porousmediumflow/1pnc/model.hh b/dumux/porousmediumflow/1pnc/model.hh index 14a19f2fb2..7e5a0e0c32 100644 --- a/dumux/porousmediumflow/1pnc/model.hh +++ b/dumux/porousmediumflow/1pnc/model.hh @@ -42,7 +42,7 @@ \phi \frac{ \partial \varrho X^\kappa}{\partial t} - \text{div} \left\lbrace \varrho X^\kappa \frac{{\textbf K}}{\mu} \left( \textbf{grad}\, p - \varrho {\textbf g} \right) - + \varrho D^\kappa_\text{pm} \frac{M^\kappa}{M_\alpha} \textbf{grad} x^\kappa \right\rbrace = q. + + \varrho D^\kappa_\text{pm} \textbf{grad} X^\kappa \right\rbrace = q. \f] * * All equations are discretized using a vertex-centered finite volume (box) diff --git a/dumux/porousmediumflow/2p2c/model.hh b/dumux/porousmediumflow/2p2c/model.hh index b224168cec..aabf852eda 100644 --- a/dumux/porousmediumflow/2p2c/model.hh +++ b/dumux/porousmediumflow/2p2c/model.hh @@ -40,8 +40,8 @@ \frac{k_{r\alpha}}{\mu_\alpha} \mathbf{K} (\textbf{grad}\, p_\alpha - \varrho_{\alpha} \mbox{\bf g}) \right\} \nonumber \\ \nonumber \\ - &-& \sum_\alpha \text{div} \left\{ D_{\alpha,\text{pm}}^\kappa \varrho_{\alpha} \frac{M^\kappa}{M_\alpha} - \textbf{grad} x^\kappa_{\alpha} \right\} + &-& \sum_\alpha \text{div} \left\{ D_{\alpha,\text{pm}}^\kappa \varrho_{\alpha} + \textbf{grad} X^\kappa_{\alpha} \right\} - \sum_\alpha q_\alpha^\kappa = 0 \qquad \kappa \in \{w, a\} \, , \alpha \in \{w, g\} \f} diff --git a/dumux/porousmediumflow/3p3c/model.hh b/dumux/porousmediumflow/3p3c/model.hh index 91253be27f..cb8396f597 100644 --- a/dumux/porousmediumflow/3p3c/model.hh +++ b/dumux/porousmediumflow/3p3c/model.hh @@ -41,8 +41,8 @@ (\textbf{grad}\, p_\alpha - \varrho_{\alpha,mass} \mbox{\bf g}) \right\} \nonumber \\ \nonumber \\ - && - \sum\limits_\alpha \text{div} \left\{ D_\text{pm}^\kappa \varrho_{\alpha,mol} - \textbf{grad} x^\kappa_{\alpha} \right\} + && - \sum\limits_\alpha \text{div} \left\{ D_\text{pm}^\kappa \frac{1}{M_{\kappa}} \varrho_{\alpha} + \textbf{grad} X^\kappa_{\alpha} \right\} - q^\kappa = 0 \qquad \forall \kappa , \; \forall \alpha \f} * diff --git a/dumux/porousmediumflow/3pwateroil/model.hh b/dumux/porousmediumflow/3pwateroil/model.hh index 9b167d51ff..dd9583d6d8 100644 --- a/dumux/porousmediumflow/3pwateroil/model.hh +++ b/dumux/porousmediumflow/3pwateroil/model.hh @@ -42,8 +42,8 @@ (\textbf{grad}\, p_\alpha - \varrho_\alpha \mbox{\bf g}) \right\} \nonumber \\ \nonumber \\ - && - \sum\limits_\alpha \text{div} \left\{ D_\text{pm}^\kappa \varrho_\alpha \frac{M^\kappa}{M_\alpha} - \textbf{grad} x^\kappa_{\alpha} \right\} + && - \sum\limits_\alpha \text{div} \left\{ D_\text{pm}^\kappa \varrho_\alpha \frac{1}{M_\kappa} + \textbf{grad} X^\kappa_{\alpha} \right\} - q^\kappa = 0 \qquad \forall \kappa , \; \forall \alpha \f} * diff --git a/dumux/porousmediumflow/richardsnc/model.hh b/dumux/porousmediumflow/richardsnc/model.hh index 2866a4572f..6214eb6dbe 100644 --- a/dumux/porousmediumflow/richardsnc/model.hh +++ b/dumux/porousmediumflow/richardsnc/model.hh @@ -69,8 +69,6 @@ #include -#include - #include #include #include @@ -83,7 +81,7 @@ #include #include #include - +#include #include #include "volumevariables.hh" diff --git a/dumux/porousmediumflow/tracer/model.hh b/dumux/porousmediumflow/tracer/model.hh index e489cc5350..703b4f858b 100644 --- a/dumux/porousmediumflow/tracer/model.hh +++ b/dumux/porousmediumflow/tracer/model.hh @@ -33,7 +33,7 @@ \f[ \phi \frac{ \partial \varrho X^\kappa}{\partial t} - \text{div} \left\lbrace \varrho X^\kappa {\textbf v_f} - + \varrho D^\kappa_\text{pm} \frac{M^\kappa}{M_\alpha} \textbf{grad} x^\kappa \right\rbrace = q. + + \varrho D^\kappa_\text{pm} \textbf{grad} X^\kappa \right\rbrace = q. \f] * * All equations are discretized using a vertex-centered finite volume (box) -- GitLab From b4bef0ccbf5eceab59b2b7d8c8694c075e728eb6 Mon Sep 17 00:00:00 2001 From: Katharina Heck Date: Thu, 5 Sep 2019 15:58:52 +0200 Subject: [PATCH 07/28] [tests][1pnc] add new maxwellstefan tests for 3 components with varying molar masses of the components. --- .../1pnc/implicit/1p3c/CMakeLists.txt | 22 + .../1pnc/implicit/1p3c/main.cc | 200 ++ .../1pnc/implicit/1p3c/params.input | 18 + .../1pnc/implicit/1p3c/problem.hh | 487 +++++ .../1pnc/implicit/CMakeLists.txt | 1 + .../test_1pnc_maxwellstefan_box-reference.vtu | 1864 +++++++++++++++++ ...test_1pnc_maxwellstefan_tpfa-reference.vtu | 1786 ++++++++++++++++ 7 files changed, 4378 insertions(+) create mode 100644 test/porousmediumflow/1pnc/implicit/1p3c/CMakeLists.txt create mode 100644 test/porousmediumflow/1pnc/implicit/1p3c/main.cc create mode 100644 test/porousmediumflow/1pnc/implicit/1p3c/params.input create mode 100644 test/porousmediumflow/1pnc/implicit/1p3c/problem.hh create mode 100644 test/references/test_1pnc_maxwellstefan_box-reference.vtu create mode 100644 test/references/test_1pnc_maxwellstefan_tpfa-reference.vtu diff --git a/test/porousmediumflow/1pnc/implicit/1p3c/CMakeLists.txt b/test/porousmediumflow/1pnc/implicit/1p3c/CMakeLists.txt new file mode 100644 index 0000000000..8ab218de53 --- /dev/null +++ b/test/porousmediumflow/1pnc/implicit/1p3c/CMakeLists.txt @@ -0,0 +1,22 @@ +add_input_file_links() + +# 1pnc tests +dune_add_test(NAME test_1pnc_maxwellstefan_tpfa + LABELS porousmediumflow 1p2c + SOURCES main.cc + COMPILE_DEFINITIONS TYPETAG=MaxwellStefanOnePThreeCTestCCTpfa + COMMAND ${CMAKE_SOURCE_DIR}/bin/testing/runtest.py + CMD_ARGS --script fuzzy + --files ${CMAKE_SOURCE_DIR}/test/references/test_1pnc_maxwellstefan_tpfa-reference.vtu + ${CMAKE_CURRENT_BINARY_DIR}/test_1pnc_maxwellstefan_tpfa-00032.vtu + --command "${CMAKE_CURRENT_BINARY_DIR}/test_1pnc_maxwellstefan_tpfa params.input -Problem.Name test_1pnc_maxwellstefan_tpfa") + +dune_add_test(NAME test_1pnc_maxwellstefan_box + LABELS porousmediumflow 1p2c + SOURCES main.cc + COMPILE_DEFINITIONS TYPETAG=MaxwellStefanOnePThreeCTestBox + COMMAND ${CMAKE_SOURCE_DIR}/bin/testing/runtest.py + CMD_ARGS --script fuzzy + --files ${CMAKE_SOURCE_DIR}/test/references/test_1pnc_maxwellstefan_box-reference.vtu + ${CMAKE_CURRENT_BINARY_DIR}/test_1pnc_maxwellstefan_box-00091.vtu + --command "${CMAKE_CURRENT_BINARY_DIR}/test_1pnc_maxwellstefan_box params.input -Problem.Name test_1pnc_maxwellstefan_box") diff --git a/test/porousmediumflow/1pnc/implicit/1p3c/main.cc b/test/porousmediumflow/1pnc/implicit/1p3c/main.cc new file mode 100644 index 0000000000..3495fe259f --- /dev/null +++ b/test/porousmediumflow/1pnc/implicit/1p3c/main.cc @@ -0,0 +1,200 @@ +// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*- +// vi: set et ts=4 sw=4 sts=4: +/***************************************************************************** + * See the file COPYING for full copying permissions. * + * * + * This program 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. * + * * + * This program 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 this program. If not, see . * + *****************************************************************************/ +/*! + * \file + * \ingroup OnePNCTests + * \brief Test for the 1pnc model + */ + +#include + +#include +#include + +#include +#include +#include +#include +#include + +#include + +#include +#include +#include +#include + +#include +#include + +#include + +#include +#include + +#include "problem.hh" + +int main(int argc, char** argv) try +{ + using namespace Dumux; + + // define the type tag for this problem + using TypeTag = Properties::TTag::TYPETAG; + + //////////////////////////////////////////////////////////// + //////////////////////////////////////////////////////////// + + // initialize MPI, finalize is done automatically on exit + const auto& mpiHelper = Dune::MPIHelper::instance(argc, argv); + + // print dumux start message + if (mpiHelper.rank() == 0) + DumuxMessage::print(/*firstCall=*/true); + + // initialize parameter tree + Parameters::init(argc, argv); + + ////////////////////////////////////////////////////////////////////// + // try to create a grid (from the given grid file or the input file) + ///////////////////////////////////////////////////////////////////// + + GridManager> gridManager; + gridManager.init(); + + //////////////////////////////////////////////////////////// + // run instationary non-linear problem on this grid + //////////////////////////////////////////////////////////// + + // we compute on the leaf grid view + const auto& leafGridView = gridManager.grid().leafGridView(); + + // create the finite volume grid geometry + using FVGridGeometry = GetPropType; + auto fvGridGeometry = std::make_shared(leafGridView); + fvGridGeometry->update(); + + // the problem (initial and boundary conditions) + using Problem = GetPropType; + auto problem = std::make_shared(fvGridGeometry); + + // the solution vector + using SolutionVector = GetPropType; + SolutionVector x(fvGridGeometry->numDofs()); + problem->applyInitialSolution(x); + auto xOld = x; + + // the grid variables + using GridVariables = GetPropType; + auto gridVariables = std::make_shared(problem, fvGridGeometry); + gridVariables->init(x); + + // get some time loop parameters + using Scalar = GetPropType; + auto tEnd = getParam("TimeLoop.TEnd"); + auto dt = getParam("TimeLoop.DtInitial"); + auto maxDt = getParam("TimeLoop.MaxTimeStepSize"); + + // intialize the vtk output module + VtkOutputModule vtkWriter(*gridVariables, x, problem->name()); + using VelocityOutput = GetPropType; + vtkWriter.addVelocityOutput(std::make_shared(*gridVariables)); + using IOFields = GetPropType; + IOFields::initOutputModule(vtkWriter); // Add model specific output fields + vtkWriter.write(0.0); + + // instantiate time loop + auto timeLoop = std::make_shared>(0.0, dt, tEnd); + timeLoop->setMaxTimeStepSize(maxDt); + + // the assembler with time loop for instationary problem + using Assembler = FVAssembler; + auto assembler = std::make_shared(problem, fvGridGeometry, gridVariables, timeLoop); + + // the linear solver + using LinearSolver = ILU0BiCGSTABBackend; + auto linearSolver = std::make_shared(); + + // the non-linear solver + NewtonSolver nonLinearSolver(assembler, linearSolver); + + // time loop + timeLoop->start(); do + { + // set previous solution for storage evaluations + assembler->setPreviousSolution(xOld); + + // solve the non-linear system with time step control + nonLinearSolver.solve(x, *timeLoop); + + // make the new solution the old solution + xOld = x; + gridVariables->advanceTimeStep(); + problem->plotComponentsOverTime(x, timeLoop->time() + timeLoop->timeStepSize()); + + // advance to the time loop to the next step + timeLoop->advanceTimeStep(); + + // write vtk output + vtkWriter.write(timeLoop->time()); + + // report statistics of this time step + timeLoop->reportTimeStep(); + + // set new dt as suggested by the newton solver + timeLoop->setTimeStepSize(nonLinearSolver.suggestTimeStepSize(timeLoop->timeStepSize())); + + } while (!timeLoop->finished()); + + timeLoop->finalize(leafGridView.comm()); + + //////////////////////////////////////////////////////////// + // finalize, print dumux message to say goodbye + //////////////////////////////////////////////////////////// + + // print dumux end message + if (mpiHelper.rank() == 0) + DumuxMessage::print(/*firstCall=*/false); + + return 0; +} + +catch (Dumux::ParameterException &e) +{ + std::cerr << std::endl << e << " ---> Abort!" << std::endl; + return 1; +} +catch (Dune::DGFException & e) +{ + std::cerr << "DGF exception thrown (" << e << + "). Most likely, the DGF file name is wrong " + "or the DGF file is corrupted, " + "e.g. missing hash at end of file or wrong number (dimensions) of entries." + << " ---> Abort!" << std::endl; + return 2; +} +catch (Dune::Exception &e) +{ + std::cerr << "Dune reported error: " << e << " ---> Abort!" << std::endl; + return 3; +} +catch (...) +{ + std::cerr << "Unknown exception thrown! ---> Abort!" << std::endl; + return 4; +} diff --git a/test/porousmediumflow/1pnc/implicit/1p3c/params.input b/test/porousmediumflow/1pnc/implicit/1p3c/params.input new file mode 100644 index 0000000000..c2daaa7309 --- /dev/null +++ b/test/porousmediumflow/1pnc/implicit/1p3c/params.input @@ -0,0 +1,18 @@ +[TimeLoop] +DtInitial = 1 # [s] +TEnd = 70000 # [s] + +[Grid] +UpperRight = 1 1 +Cells = 30 30 + +[Problem] +Name = maxwellstefan_1pnc # name passed to the output routines +EnableGravity = false + +[Vtk] +AddVelocity = true + +[Newton] +MaxRelativeShift = 1e-12 + diff --git a/test/porousmediumflow/1pnc/implicit/1p3c/problem.hh b/test/porousmediumflow/1pnc/implicit/1p3c/problem.hh new file mode 100644 index 0000000000..cd02b0a896 --- /dev/null +++ b/test/porousmediumflow/1pnc/implicit/1p3c/problem.hh @@ -0,0 +1,487 @@ +// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*- +// vi: set et ts=4 sw=4 sts=4: +/***************************************************************************** + * See the file COPYING for full copying permissions. * + * * + * This program 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. * + * * + * This program 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 this program. If not, see . * + *****************************************************************************/ +/** + * \file + * \ingroup OnePNCTests + * \brief Definition of a problem for the 1pnc problem: + * Component transport of nitrogen dissolved in the water phase. + */ + +#ifndef DUMUX_1P2C_TEST_PROBLEM_HH +#define DUMUX_1P2C_TEST_PROBLEM_HH + +#if HAVE_UG +#include +#endif +#include + +#include +#include +#include +#include +#include +#include + +#include +#include + +#include "../1p2c/spatialparams.hh" + +#include +#include + +namespace Dumux { + +template +class MaxwellStefanOnePThreeCTestProblem; + +namespace Properties { + +// Create new type tags +namespace TTag { +struct MaxwellStefanOnePThreeCTest { using InheritsFrom = std::tuple; }; +struct MaxwellStefanOnePThreeCTestBox { using InheritsFrom = std::tuple; }; +struct MaxwellStefanOnePThreeCTestCCTpfa { using InheritsFrom = std::tuple; }; +} // end namespace TTag + +// Set the grid type +#if HAVE_UG +template +struct Grid { using type = Dune::UGGrid<2>; }; +#else +template +struct Grid { using type = Dune::YaspGrid<2>; }; +#endif + +// Set the problem property +template +struct Problem { using type = MaxwellStefanOnePThreeCTestProblem; }; + +/*! + * \ingroup NavierStokesNCTests + * \brief A simple fluid system with three components for testing the multi-component diffusion with the Maxwell-Stefan formulation. + */ +template +class H2N2CO2FluidSystem +: public FluidSystems::Base, H2N2CO2FluidSystem> + +{ + using Scalar = GetPropType; + using ThisType = H2N2CO2FluidSystem; + using Base = FluidSystems::Base; + using IdealGas = Dumux::IdealGas; + +public: + //! The number of phases + static constexpr int numPhases = 1; + static constexpr int numComponents = 3; + + static constexpr int H2Idx = 0;//first major component + static constexpr int N2Idx = 1;//second major component + static constexpr int CO2Idx = 2;//secondary component + + //! Human readable component name (index compIdx) (for vtk output) + static std::string componentName(int compIdx) + { return "MaxwellStefan_" + std::to_string(compIdx); } + + //! Human readable phase name (index phaseIdx) (for velocity vtk output) + static std::string phaseName(int phaseIdx = 0) + { return "Gas"; } + + //! Molar mass in kg/mol of the component with index compIdx + static Scalar molarMass(unsigned int compIdx) + { + switch (compIdx) + { + case H2Idx: return 0.002; + case N2Idx: return 0.028; + case CO2Idx:return 0.044; + } + DUNE_THROW(Dune::InvalidStateException, "Invalid component index " << compIdx);; + } + + + using Base::binaryDiffusionCoefficient; + /*! + * \brief Given a phase's composition, temperature and pressure, + * returns the binary diffusion coefficient \f$\mathrm{[m^2/s]}\f$ for components + * \f$i\f$ and \f$j\f$ in this phase. + * + * \param fluidState An arbitrary fluid state + * \param phaseIdx The index of the fluid phase to consider + * \param compIIdx The index of the first component to consider + * \param compJIdx The index of the second component to consider + */ + template + static Scalar binaryDiffusionCoefficient(const FluidState &fluidState, + int phaseIdx, + int compIIdx, + int compJIdx) + { + if (compIIdx > compJIdx) + { + using std::swap; + swap(compIIdx, compJIdx); + } + + if (compIIdx == H2Idx && compJIdx == N2Idx) + return 83.3e-6; + if (compIIdx == H2Idx && compJIdx == CO2Idx) + return 68.0e-6; + if (compIIdx == N2Idx && compJIdx == CO2Idx) + return 16.8e-6; + DUNE_THROW(Dune::InvalidStateException, + "Binary diffusion coefficient of components " + << compIIdx << " and " << compJIdx << " is undefined!\n"); + } + using Base::density; + /*! + * \brief Given a phase's composition, temperature, pressure, and + * the partial pressures of all components, returns its + * density \f$\mathrm{[kg/m^3]}\f$. + * + * \param phaseIdx index of the phase + * \param fluidState the fluid state + * + */ + template + static Scalar density(const FluidState &fluidState, + const int phaseIdx) + { + Scalar T = fluidState.temperature(phaseIdx); + Scalar p = fluidState.pressure(phaseIdx); + return IdealGas::molarDensity(T, p) * fluidState.averageMolarMass(0); + } + + using Base::viscosity; + /*! + * \brief Calculates the dynamic viscosity of a fluid phase \f$\mathrm{[Pa*s]}\f$ + * + * \param fluidState An arbitrary fluid state + * \param phaseIdx The index of the fluid phase to consider + */ + template + static Scalar viscosity(const FluidState &fluidState, + int phaseIdx) + { + return 1e-6; + } + + using Base::molarDensity; + /*! + * \brief The molar density \f$\rho_{mol,\alpha}\f$ + * of a fluid phase \f$\alpha\f$ in \f$\mathrm{[mol/m^3]}\f$ + * + * The molar density for the simple relation is defined by the + * mass density \f$\rho_\alpha\f$ and the molar mass of the main component \f$M_\kappa\f$: + * + * \f[\rho_{mol,\alpha} = \frac{\rho_\alpha}{M_\kappa} \;.\f] + */ + template + static Scalar molarDensity(const FluidState &fluidState, int phaseIdx) + { + Scalar T = fluidState.temperature(phaseIdx); + Scalar p = fluidState.pressure(phaseIdx); + return IdealGas::molarDensity(T,p); + } +}; + +// Set fluid configuration +template +struct FluidSystem +{using type = H2N2CO2FluidSystem; }; + +// Set the spatial parameters +template +struct SpatialParams +{ + using FVGridGeometry = GetPropType; + using Scalar = GetPropType; + using type = OnePNCTestSpatialParams; +}; + +// Define whether mole(true) or mass (false) fractions are used +template +struct UseMoles { static constexpr bool value = true; }; + +//! Here we set FicksLaw or MaxwellStefansLaw +template +struct MolecularDiffusionType { using type = MaxwellStefansLaw; }; +} + +/*! + * \ingroup OnePNCTests + * \brief Definition of a problem for the 1pnc problem: + * Component transport of nitrogen dissolved in the water phase. + * + * Nitrogen is dissolved in the water phase and is transported with the + * water flow from the left side to the right. + * + * The model domain is 1m times 1m with a discretization length of 0.05m + * and homogeneous soil properties (\f$ \mathrm{K=10e-10, \Phi=0.4, \tau=0.28}\f$). + * Initially, the domain is filled with pure water. + * + * At the left side, a Dirichlet condition defines a nitrogen mole fraction + * of 0.3mol/mol. + * The water phase flows from the left side to the right due to the applied pressure + * gradient of 1e5Pa/m. The nitrogen is transported with the water flow + * and leaves the domain at the right boundary, where again Dirichlet boundary + * conditions are applied. Here, the nitrogen mole fraction is set to 0.0mol/mol. + * + * This problem uses the \ref OnePNCModel model. + * + * To run the simulation execute the following line in shell: + * ./test_box1pnc -parameterFile ./test_box1pnc.input or + * ./test_cc1pnc -parameterFile ./test_cc1pnc.input + */ +template +class MaxwellStefanOnePThreeCTestProblem : public PorousMediumFlowProblem +{ + using ParentType = PorousMediumFlowProblem; + + using Scalar = GetPropType; + using Indices = typename GetPropType::Indices; + using GridView = GetPropType; + using BoundaryTypes = GetPropType; + using PrimaryVariables = GetPropType; + using NumEqVector = GetPropType; + using FluidSystem = GetPropType; + using FVGridGeometry = GetPropType; + using SolutionVector = GetPropType; + using VolumeVariables = GetPropType; + + //! property that defines whether mole or mass fractions are used + static constexpr bool useMoles = getPropValue(); + + using Element = typename FVGridGeometry::GridView::template Codim<0>::Entity; + using GlobalPosition = typename Element::Geometry::GlobalCoordinate; + +public: + MaxwellStefanOnePThreeCTestProblem(std::shared_ptr fvGridGeometry) + : ParentType(fvGridGeometry) + { + name_ = getParam("Problem.Name"); + + // stating in the console whether mole or mass fractions are used + if(useMoles) + std::cout<<"problem uses mole fractions" << '\n'; + else + std::cout<<"problem uses mass fractions" << '\n'; + + plotOutput_ = false; + } + + /*! + * \name Problem parameters + */ + // \{ + + /*! + * \brief The problem name. + * This is used as a prefix for files generated by the simulation. + */ + const std::string& name() const + { return name_; } + + + /*! + * \brief Returns the temperature within the domain [K]. + * + * This problem assumes a temperature of 20 degrees Celsius. + */ + Scalar temperature() const + { return 273.15 + 20; } // in [K] + + //! Called after every time step + void plotComponentsOverTime(const SolutionVector& curSol, Scalar time) + { + if (plotOutput_) + { + Scalar x_co2_left = 0.0; + Scalar x_n2_left = 0.0; + Scalar x_co2_right = 0.0; + Scalar x_n2_right = 0.0; + Scalar x_h2_left = 0.0; + Scalar x_h2_right = 0.0; + Scalar i = 0.0; + Scalar j = 0.0; + if (!(time < 0.0)) + { + for (const auto& element : elements(this->fvGridGeometry().gridView())) + { + auto fvGeometry = localView(this->fvGridGeometry()); + fvGeometry.bindElement(element); + + const auto elemSol = elementSolution(element, curSol, this->fvGridGeometry()); + for (auto&& scv : scvs(fvGeometry)) + { + const auto& globalPos = scv.dofPosition(); + VolumeVariables volVars; + volVars.update(elemSol, *this, element, scv); + + if (globalPos[0] < 0.5) + { + x_co2_left += volVars.moleFraction(0,2); + + x_n2_left += volVars.moleFraction(0,1); + x_h2_left += volVars.moleFraction(0,0); + i +=1; + } + else + { + x_co2_right += volVars.moleFraction(0,2); + x_n2_right += volVars.moleFraction(0,1); + x_h2_right += volVars.moleFraction(0,0); + j +=1; + } + + } + } + x_co2_left /= i; + x_n2_left /= i; + x_h2_left /= i; + x_co2_right /= j; + x_n2_right /= j; + x_h2_right /= j; + + //do a gnuplot + x_.push_back(time); // in seconds + y_.push_back(x_n2_left); + y2_.push_back(x_n2_right); + y3_.push_back(x_co2_left); + y4_.push_back(x_co2_right); + y5_.push_back(x_h2_left); + y6_.push_back(x_h2_right); + + gnuplot_.resetPlot(); + gnuplot_.setXRange(0, std::min(time, 72000.0)); + gnuplot_.setYRange(0.4, 0.6); + gnuplot_.setXlabel("time [s]"); + gnuplot_.setYlabel("mole fraction mol/mol"); + gnuplot_.addDataSetToPlot(x_, y_, "N2_left.dat", "w l t 'N_2 left'"); + gnuplot_.addDataSetToPlot(x_, y2_, "N2_right.dat", "w l t 'N_2 right'"); + gnuplot_.plot("mole_fraction_N2"); + + gnuplot2_.resetPlot(); + gnuplot2_.setXRange(0, std::min(time, 72000.0)); + gnuplot2_.setYRange(0.0, 0.6); + gnuplot2_.setXlabel("time [s]"); + gnuplot2_.setYlabel("mole fraction mol/mol"); + gnuplot2_.addDataSetToPlot(x_, y3_, "CO2_left.dat", "w l t 'CO_2 left'"); + gnuplot2_.addDataSetToPlot(x_, y4_, "CO2_right.dat", "w l t 'CO_2 right"); + gnuplot2_.plot("mole_fraction_CO2"); + + gnuplot3_.resetPlot(); + gnuplot3_.setXRange(0, std::min(time, 72000.0)); + gnuplot3_.setYRange(0.0, 0.6); + gnuplot3_.setXlabel("time [s]"); + gnuplot3_.setYlabel("mole fraction mol/mol"); + gnuplot3_.addDataSetToPlot(x_, y5_, "H2_left.dat", "w l t 'H_2 left'"); + gnuplot3_.addDataSetToPlot(x_, y6_, "H2_right.dat", "w l t 'H_2 right'"); + gnuplot3_.plot("mole_fraction_H2"); + } + } + } + + // \} + + /*! + * \name Boundary conditions + */ + // \{ + + /*! + * \brief Specifies which kind of boundary condition should be + * used for which equation on a given boundary segment. + * + * \param globalPos The position for which the bc type should be evaluated + */ + BoundaryTypes boundaryTypesAtPos(const GlobalPosition &globalPos) const + { + BoundaryTypes values; + values.setAllNeumann(); + return values; + } + + /*! + * \brief Evaluates the boundary conditions for a Neumann boundary segment. + * + * \param globalPos The position for which the bc type should be evaluated + * The units must be according to either using mole or mass fractions (mole/(m^2*s) or kg/(m^2*s)). + */ + NumEqVector neumannAtPos(const GlobalPosition& globalPos) const + { return NumEqVector(0.0); } + + // \} + + /*! + * \name Volume terms + */ + // \{ + + /*! + * \brief Evaluates the initial value for a control volume. + * + * \param globalPos The position for which the initial condition should be evaluated + * + * For this method, the \a values parameter stores primary + * variables. + */ + PrimaryVariables initialAtPos(const GlobalPosition &globalPos) const + { + PrimaryVariables initialValues(0.0); + if (globalPos[0] < 0.5) + { + initialValues[Indices::pressureIdx] = 1e5; + initialValues[FluidSystem::N2Idx] = 0.50086; + initialValues[FluidSystem::CO2Idx] = 0.49914; + } + else + { + initialValues[Indices::pressureIdx] = 1e5; + initialValues[FluidSystem::N2Idx] = 0.49879; + initialValues[FluidSystem::CO2Idx] = 0.0; + } + return initialValues; + } + + // \} + +private: + static constexpr Scalar eps_ = 1e-6; + std::string name_; + + Dumux::GnuplotInterface gnuplot_; + Dumux::GnuplotInterface gnuplot2_; + Dumux::GnuplotInterface gnuplot3_; + + std::vector x_; + std::vector y_; + std::vector y2_; + std::vector y3_; + std::vector y4_; + std::vector y5_; + std::vector y6_; + + bool plotOutput_; +}; + +} // end namespace Dumux + +#endif diff --git a/test/porousmediumflow/1pnc/implicit/CMakeLists.txt b/test/porousmediumflow/1pnc/implicit/CMakeLists.txt index 4e56daf211..5f6c0659d6 100644 --- a/test/porousmediumflow/1pnc/implicit/CMakeLists.txt +++ b/test/porousmediumflow/1pnc/implicit/CMakeLists.txt @@ -1,2 +1,3 @@ add_subdirectory(1p2c) add_subdirectory(nonequilibrium) +add_subdirectory(1p3c) diff --git a/test/references/test_1pnc_maxwellstefan_box-reference.vtu b/test/references/test_1pnc_maxwellstefan_box-reference.vtu new file mode 100644 index 0000000000..d11a290c92 --- /dev/null +++ b/test/references/test_1pnc_maxwellstefan_box-reference.vtu @@ -0,0 +1,1864 @@ + + + + + + + 100000 100000 100000 100000 100000 100000 100000 100000 100000 100000 100000 100000 + 100000 100000 100000 100000 100000 100000 100000 100000 100000 100000 100000 100000 + 100000 100000 100000 100000 100000 100000 100000 100000 100000 100000 100000 100000 + 100000 100000 100000 100000 100000 100000 100000 100000 100000 100000 100000 100000 + 100000 100000 100000 100000 100000 100000 100000 100000 100000 100000 100000 100000 + 100000 100000 100000 100000 100000 100000 100000 100000 100000 100000 100000 100000 + 100000 100000 100000 100000 100000 100000 100000 100000 100000 100000 100000 100000 + 100000 100000 100000 100000 100000 100000 100000 100000 100000 100000 100000 100000 + 100000 100000 100000 100000 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1.03101 1.031 1.03099 1.03098 1.03097 1.03096 1.03094 1.03093 1.03092 + 1.0309 1.03089 1.03088 1.03086 1.03085 1.03084 1.03083 1.03082 1.03081 1.0308 1.03079 1.03078 + 1.03078 1.03078 1.03077 1.03077 1.03103 1.03103 1.03103 1.03103 1.03102 1.03101 1.03101 1.031 + 1.03099 1.03098 1.03097 1.03096 1.03094 1.03093 1.03092 1.0309 1.03089 1.03088 1.03086 1.03085 + 1.03084 1.03083 1.03082 1.03081 1.0308 1.03079 1.03078 1.03078 1.03078 1.03077 1.03077 1.03103 + 1.03103 1.03103 1.03103 1.03102 1.03101 1.03101 1.031 1.03099 1.03098 1.03097 1.03096 1.03094 + 1.03093 1.03092 1.0309 1.03089 1.03088 1.03086 1.03085 1.03084 1.03083 1.03082 1.03081 1.0308 + 1.03079 1.03078 1.03078 1.03078 1.03077 1.03077 1.03103 1.03103 1.03103 1.03103 1.03102 1.03101 + 1.03101 1.031 1.03099 1.03098 1.03097 1.03096 1.03094 1.03093 1.03092 1.0309 1.03089 1.03088 + 1.03086 1.03085 1.03084 1.03083 1.03082 1.03081 1.0308 1.03079 1.03078 1.03078 1.03078 1.03077 + 1.03077 1.03103 1.03103 1.03103 1.03103 1.03102 1.03101 1.03101 1.031 1.03099 1.03098 1.03097 + 1.03096 1.03094 1.03093 1.03092 1.0309 1.03089 1.03088 1.03086 1.03085 1.03084 1.03083 1.03082 + 1.03081 1.0308 1.03079 1.03078 1.03078 1.03078 1.03077 1.03077 1.03103 1.03103 1.03103 1.03103 + 1.03102 1.03101 1.03101 1.031 1.03099 1.03098 1.03097 1.03096 1.03094 1.03093 1.03092 1.0309 + 1.03089 1.03088 1.03086 1.03085 1.03084 1.03083 1.03082 1.03081 1.0308 1.03079 1.03078 1.03078 + 1.03078 1.03077 1.03077 1.03103 1.03103 1.03103 1.03103 1.03102 1.03101 1.03101 1.031 1.03099 + 1.03098 1.03097 1.03096 1.03094 1.03093 1.03092 1.0309 1.03089 1.03088 1.03086 1.03085 1.03084 + 1.03083 1.03082 1.03081 1.0308 1.03079 1.03078 1.03078 1.03078 1.03077 1.03077 1.03103 1.03103 + 1.03103 1.03103 1.03102 1.03101 1.03101 1.031 1.03099 1.03098 1.03097 1.03096 1.03094 1.03093 + 1.03092 1.0309 1.03089 1.03088 1.03086 1.03085 1.03084 1.03083 1.03082 1.03081 1.0308 1.03079 + 1.03078 1.03078 1.03078 1.03077 1.03077 1.03103 1.03103 1.03103 1.03103 1.03102 1.03101 1.03101 + 1.031 1.03099 1.03098 1.03097 1.03096 1.03094 1.03093 1.03092 1.0309 1.03089 1.03088 1.03086 + 1.03085 1.03084 1.03083 1.03082 1.03081 1.0308 1.03079 1.03078 1.03078 1.03078 1.03077 1.03077 + 1.03103 1.03103 1.03103 1.03103 1.03102 1.03101 1.03101 1.031 1.03099 1.03098 1.03097 1.03096 + 1.03094 1.03093 1.03092 1.0309 1.03089 1.03088 1.03086 1.03085 1.03084 1.03083 1.03082 1.03081 + 1.0308 1.03079 1.03078 1.03078 1.03078 1.03077 1.03077 1.03103 1.03103 1.03103 1.03103 1.03102 + 1.03101 1.03101 1.031 1.03099 1.03098 1.03097 1.03096 1.03094 1.03093 1.03092 1.0309 1.03089 + 1.03088 1.03086 1.03085 1.03084 1.03083 1.03082 1.03081 1.0308 1.03079 1.03078 1.03078 1.03078 + 1.03077 1.03077 1.03103 1.03103 1.03103 1.03103 1.03102 1.03101 1.03101 1.031 1.03099 1.03098 + 1.03097 1.03096 1.03094 1.03093 1.03092 1.0309 1.03089 1.03088 1.03086 1.03085 1.03084 1.03083 + 1.03082 1.03081 1.0308 1.03079 1.03078 1.03078 1.03078 1.03077 1.03077 1.03103 1.03103 1.03103 + 1.03103 1.03102 1.03101 1.03101 1.031 1.03099 1.03098 1.03097 1.03096 1.03094 1.03093 1.03092 + 1.0309 1.03089 1.03088 1.03086 1.03085 1.03084 1.03083 1.03082 1.03081 1.0308 1.03079 1.03078 + 1.03078 1.03078 1.03077 1.03077 1.03103 1.03103 1.03103 1.03103 1.03102 1.03101 1.03101 1.031 + 1.03099 1.03098 1.03097 1.03096 1.03094 1.03093 1.03092 1.0309 1.03089 1.03088 1.03086 1.03085 + 1.03084 1.03083 1.03082 1.03081 1.0308 1.03079 1.03078 1.03078 1.03078 1.03077 1.03077 1.03103 + 1.03103 1.03103 1.03103 1.03102 1.03101 1.03101 1.031 1.03099 1.03098 1.03097 1.03096 1.03094 + 1.03093 1.03092 1.0309 1.03089 1.03088 1.03086 1.03085 1.03084 1.03083 1.03082 1.03081 1.0308 + 1.03079 1.03078 1.03078 1.03078 1.03077 1.03077 1.03103 1.03103 1.03103 1.03103 1.03102 1.03101 + 1.03101 1.031 1.03099 1.03098 1.03097 1.03096 1.03094 1.03093 1.03092 1.0309 1.03089 1.03088 + 1.03086 1.03085 1.03084 1.03083 1.03082 1.03081 1.0308 1.03079 1.03078 1.03078 1.03078 1.03077 + 1.03077 1.03103 1.03103 1.03103 1.03103 1.03102 1.03101 1.03101 1.031 1.03099 1.03098 1.03097 + 1.03096 1.03094 1.03093 1.03092 1.0309 1.03089 1.03088 1.03086 1.03085 1.03084 1.03083 1.03082 + 1.03081 1.0308 1.03079 1.03078 1.03078 1.03078 1.03077 1.03077 1.03103 1.03103 1.03103 1.03103 + 1.03102 1.03101 1.03101 1.031 1.03099 1.03098 1.03097 1.03096 1.03094 1.03093 1.03092 1.0309 + 1.03089 1.03088 1.03086 1.03085 1.03084 1.03083 1.03082 1.03081 1.0308 1.03079 1.03078 1.03078 + 1.03078 1.03077 1.03077 1.03103 1.03103 1.03103 1.03103 1.03102 1.03101 1.03101 1.031 1.03099 + 1.03098 1.03097 1.03096 1.03094 1.03093 1.03092 1.0309 1.03089 1.03088 1.03086 1.03085 1.03084 + 1.03083 1.03082 1.03081 1.0308 1.03079 1.03078 1.03078 1.03078 1.03077 1.03077 1.03103 1.03103 + 1.03103 1.03103 1.03102 1.03101 1.03101 1.031 1.03099 1.03098 1.03097 1.03096 1.03094 1.03093 + 1.03092 1.0309 1.03089 1.03088 1.03086 1.03085 1.03084 1.03083 1.03082 1.03081 1.0308 1.03079 + 1.03078 1.03078 1.03078 1.03077 1.03077 1.03103 1.03103 1.03103 1.03103 1.03102 1.03101 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9 9 9 9 9 9 + 9 9 9 9 9 9 9 9 9 9 9 9 + 9 9 9 9 9 9 9 9 9 9 9 9 + 9 9 9 9 9 9 9 9 9 9 9 9 + 9 9 9 9 9 9 9 9 9 9 9 9 + 9 9 9 9 9 9 9 9 9 9 9 9 + 9 9 9 9 9 9 9 9 9 9 9 9 + 9 9 9 9 9 9 9 9 9 9 9 9 + 9 9 9 9 9 9 9 9 9 9 9 9 + 9 9 9 9 9 9 9 9 9 9 9 9 + 9 9 9 9 9 9 9 9 9 9 9 9 + 9 9 9 9 9 9 9 9 9 9 9 9 + 9 9 9 9 9 9 9 9 9 9 9 9 + 9 9 9 9 9 9 9 9 9 9 9 9 + 9 9 9 9 9 9 9 9 9 9 9 9 + 9 9 9 9 9 9 9 9 9 9 9 9 + 9 9 9 9 9 9 9 9 9 9 9 9 + + + + + -- GitLab From 9f5a5b9f18f096d6adeea0c20cd568f7f63eda84 Mon Sep 17 00:00:00 2001 From: Katharina Heck Date: Thu, 5 Sep 2019 16:06:29 +0200 Subject: [PATCH 08/28] [tests][tracer] change tracerproblem to fluidsystem with components with same molar mass. Otherwise velocity will arise due to diffusion which is not intended in the tracer model and does not make sense physically --- .../tracer/multicomp/problem.hh | 120 +-- ...est_tracer_maxwellstefan_box-reference.vtu | 500 ++++----- ...st_tracer_maxwellstefan_tpfa-reference.vtu | 986 +++++++++--------- 3 files changed, 799 insertions(+), 807 deletions(-) diff --git a/test/porousmediumflow/tracer/multicomp/problem.hh b/test/porousmediumflow/tracer/multicomp/problem.hh index a681ae81a9..af9e1e49dd 100644 --- a/test/porousmediumflow/tracer/multicomp/problem.hh +++ b/test/porousmediumflow/tracer/multicomp/problem.hh @@ -80,8 +80,8 @@ struct MolecularDiffusionType { using type = M //! A simple fluid system with one MaxwellStefan component template -class H2N2CO2FluidSystem -: public FluidSystems::Base, H2N2CO2FluidSystem> +class MaxwellStefanTracerFluidSystem +: public FluidSystems::Base, MaxwellStefanTracerFluidSystem> { using Scalar = GetPropType; @@ -97,18 +97,18 @@ public: //! The number of components static constexpr int numComponents = 3; - static constexpr int H2Idx = 0;//first major component - static constexpr int N2Idx = 1;//second major component - static constexpr int CO2Idx = 2;//secondary component + static constexpr int CompOneIdx = 0;//first major component + static constexpr int CompTwoIdx = 1;//second major component + static constexpr int CompThreeIdx = 2;//secondary component //! Human readable component name (index compIdx) (for vtk output) static std::string componentName(int compIdx) { switch (compIdx) { - case H2Idx: return "H2"; - case N2Idx: return "N2"; - case CO2Idx:return "CO2"; + case CompOneIdx: return "CompOne"; + case CompTwoIdx: return "CompTwo"; + case CompThreeIdx:return "CompThree"; } DUNE_THROW(Dune::InvalidStateException, "Invalid component index " << compIdx); } @@ -117,17 +117,9 @@ public: static std::string phaseName(int phaseIdx = 0) { return "Gas"; } - //! Molar mass in kg/mol of the component with index compIdx + //! Molar mass in kg/mol of the component with index compIdx. All compoents have the same molar mass so that the molar mass does not play a role anymore static Scalar molarMass(unsigned int compIdx) - { - switch (compIdx) - { - case H2Idx: return 0.002; - case N2Idx: return 0.028; - case CO2Idx:return 0.044; - } - DUNE_THROW(Dune::InvalidStateException, "Invalid component index " << compIdx); - } + { return 0.02896; /*air*/ } //! Binary diffusion coefficient //! (might depend on spatial parameters like pressure / temperature) @@ -136,11 +128,11 @@ public: const Element& element, const SubControlVolume& scv) { - if (compIdx == H2Idx) + if (compIdx == CompOneIdx) return 0; - if (compIdx == N2Idx) + if (compIdx == CompTwoIdx) return 83.3e-6; - if (compIdx == CO2Idx) + if (compIdx == CompThreeIdx) return 68.0e-6; DUNE_THROW(Dune::InvalidStateException, "Binary diffusion coefficient of component " @@ -161,11 +153,11 @@ public: swap(compIIdx, compJIdx); } - if (compIIdx == H2Idx && compJIdx == N2Idx) + if (compIIdx == CompOneIdx && compJIdx == CompTwoIdx) return 83.3e-6; - if (compIIdx == H2Idx && compJIdx == CO2Idx) + if (compIIdx == CompOneIdx && compJIdx == CompThreeIdx) return 68.0e-6; - if (compIIdx == N2Idx && compJIdx == CO2Idx) + if (compIIdx == CompTwoIdx && compJIdx == CompThreeIdx) return 16.8e-6; DUNE_THROW(Dune::InvalidStateException, "Binary diffusion coefficient of components " @@ -189,7 +181,7 @@ public: }; template -struct FluidSystem { using type = H2N2CO2FluidSystem; }; +struct FluidSystem { using type = MaxwellStefanTracerFluidSystem; }; } // end namespace Properties @@ -258,12 +250,12 @@ public: { if (plotOutput_) { - Scalar x_co2_left = 0.0; - Scalar x_n2_left = 0.0; - Scalar x_co2_right = 0.0; - Scalar x_n2_right = 0.0; - Scalar x_h2_left = 0.0; - Scalar x_h2_right = 0.0; + Scalar x_CompThree_left = 0.0; + Scalar x_CompTwo_left = 0.0; + Scalar x_CompThree_right = 0.0; + Scalar x_CompTwo_right = 0.0; + Scalar x_CompOne_left = 0.0; + Scalar x_CompOne_right = 0.0; Scalar i = 0.0; Scalar j = 0.0; if (!(time < 0.0)) @@ -282,64 +274,64 @@ public: if (globalPos[0] < 0.5) { - x_co2_left += volVars.moleFraction(0,2); + x_CompThree_left += volVars.moleFraction(0,2); - x_n2_left += volVars.moleFraction(0,1); - x_h2_left += volVars.moleFraction(0,0); + x_CompTwo_left += volVars.moleFraction(0,1); + x_CompOne_left += volVars.moleFraction(0,0); i +=1; } else { - x_co2_right += volVars.moleFraction(0,2); - x_n2_right += volVars.moleFraction(0,1); - x_h2_right += volVars.moleFraction(0,0); + x_CompThree_right += volVars.moleFraction(0,2); + x_CompTwo_right += volVars.moleFraction(0,1); + x_CompOne_right += volVars.moleFraction(0,0); j +=1; } } } - x_co2_left /= i; - x_n2_left /= i; - x_h2_left /= i; - x_co2_right /= j; - x_n2_right /= j; - x_h2_right /= j; + x_CompThree_left /= i; + x_CompTwo_left /= i; + x_CompOne_left /= i; + x_CompThree_right /= j; + x_CompTwo_right /= j; + x_CompOne_right /= j; //do a gnuplot x_.push_back(time); // in seconds - y_.push_back(x_n2_left); - y2_.push_back(x_n2_right); - y3_.push_back(x_co2_left); - y4_.push_back(x_co2_right); - y5_.push_back(x_h2_left); - y6_.push_back(x_h2_right); + y_.push_back(x_CompTwo_left); + y2_.push_back(x_CompTwo_right); + y3_.push_back(x_CompThree_left); + y4_.push_back(x_CompThree_right); + y5_.push_back(x_CompOne_left); + y6_.push_back(x_CompOne_right); gnuplot_.resetPlot(); gnuplot_.setXRange(0, std::min(time, 72000.0)); gnuplot_.setYRange(0.4, 0.6); gnuplot_.setXlabel("time [s]"); gnuplot_.setYlabel("mole fraction mol/mol"); - gnuplot_.addDataSetToPlot(x_, y_, "N2_left.dat", "w l t 'N_2 left'"); - gnuplot_.addDataSetToPlot(x_, y2_, "N2_right.dat", "w l t 'N_2 right'"); - gnuplot_.plot("mole_fraction_N2"); + gnuplot_.addDataSetToPlot(x_, y_, "CompTwo_left.dat", "w l t 'CompTwo left'"); + gnuplot_.addDataSetToPlot(x_, y2_, "CompTwo_right.dat", "w l t 'CompTwo right'"); + gnuplot_.plot("mole_fraction_CompTwo"); gnuplot2_.resetPlot(); gnuplot2_.setXRange(0, std::min(time, 72000.0)); gnuplot2_.setYRange(0.0, 0.6); gnuplot2_.setXlabel("time [s]"); gnuplot2_.setYlabel("mole fraction mol/mol"); - gnuplot2_.addDataSetToPlot(x_, y3_, "CO2_left.dat", "w l t 'CO_2 left'"); - gnuplot2_.addDataSetToPlot(x_, y4_, "C02_right.dat", "w l t CO_2 right"); - gnuplot2_.plot("mole_fraction_C02"); + gnuplot2_.addDataSetToPlot(x_, y3_, "CompThree_left.dat", "w l t 'CompThree left'"); + gnuplot2_.addDataSetToPlot(x_, y4_, "CompThree_right.dat", "w l t 'CompThree right"); + gnuplot2_.plot("mole_fraction_CompThree"); gnuplot3_.resetPlot(); gnuplot3_.setXRange(0, std::min(time, 72000.0)); gnuplot3_.setYRange(0.0, 0.6); gnuplot3_.setXlabel("time [s]"); gnuplot3_.setYlabel("mole fraction mol/mol"); - gnuplot3_.addDataSetToPlot(x_, y5_, "H2_left.dat", "w l t 'H_2 left'"); - gnuplot3_.addDataSetToPlot(x_, y6_, "H2_right.dat", "w l t 'H_2 right'"); - gnuplot3_.plot("mole_fraction_H2"); + gnuplot3_.addDataSetToPlot(x_, y5_, "CompOne_left.dat", "w l t 'CompOne left'"); + gnuplot3_.addDataSetToPlot(x_, y6_, "CompOne_right.dat", "w l t 'CompOne right'"); + gnuplot3_.plot("mole_fraction_CompOne"); } } } @@ -393,15 +385,15 @@ public: PrimaryVariables initialValues(0.0); if (globalPos[0] < 0.5) { - initialValues[FluidSystem::H2Idx] = 0.0; - initialValues[FluidSystem::N2Idx] = 0.50086; - initialValues[FluidSystem::CO2Idx] = 0.49914; + initialValues[FluidSystem::CompOneIdx] = 0.0; + initialValues[FluidSystem::CompTwoIdx] = 0.50086; + initialValues[FluidSystem::CompThreeIdx] = 0.49914; } else { - initialValues[FluidSystem::H2Idx] = 0.50121; - initialValues[FluidSystem::N2Idx] = 0.49879; - initialValues[FluidSystem::CO2Idx] = 0.0; + initialValues[FluidSystem::CompOneIdx] = 0.50121; + initialValues[FluidSystem::CompTwoIdx] = 0.49879; + initialValues[FluidSystem::CompThreeIdx] = 0.0; } return initialValues; } diff --git a/test/references/test_tracer_maxwellstefan_box-reference.vtu b/test/references/test_tracer_maxwellstefan_box-reference.vtu index 37b3309039..1c092295de 100644 --- a/test/references/test_tracer_maxwellstefan_box-reference.vtu +++ b/test/references/test_tracer_maxwellstefan_box-reference.vtu @@ -2,8 +2,8 @@ - - + + 0.258921 0.258921 0.258921 0.258921 0.258922 0.258922 0.258923 0.258923 0.258924 0.258924 0.258926 0.258926 0.258928 0.258928 0.25893 0.25893 0.258933 0.258933 0.258936 0.258936 0.25894 0.25894 0.258943 0.258943 0.258947 0.258947 0.258951 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0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -- GitLab From e0efa26a2ba9a5ff0c41a93c9fd9b0027ec87c09 Mon Sep 17 00:00:00 2001 From: Katharina Heck Date: Thu, 5 Sep 2019 16:41:32 +0200 Subject: [PATCH 09/28] [tests] update reference solution due to changes in diffusion laws to mass reference system --- .../navierstokesnc/channel/CMakeLists.txt | 4 +- .../channel/params_diffusion.input | 2 +- test/freeflow/ransnc/CMakeLists.txt | 6 +- .../stokesdarcy/1p2c_2p2c/CMakeLists.txt | 4 +- .../3p3c/implicit/columnxylol/CMakeLists.txt | 2 +- .../test_3p3c_infiltration_box-reference.vtu | 396 +- .../test_3p3c_infiltration_tpfa-reference.vtu | 286 +- .../test_3p3cni_columnxylol_box-reference.vtu | 368 +- ...test_3p3cni_columnxylol_tpfa-reference.vtu | 230 +- .../test_3p3cni_kuevette_box-reference.vtu | 380 +- .../test_3p3cni_kuevette_tpfa-reference.vtu | 366 +- .../test_3pwateroil_sagd_box-reference.vtu | 4626 ++++++++--------- ..._ff_rans2c_kepsilon_twolayer-reference.vtu | 716 +-- ...ans2c_kepsilon_wallfunctions-reference.vtu | 198 +- .../test_ff_rans2c_komega-reference.vtu | 642 +-- ...test_ff_rans2c_lowrekepsilon-reference.vtu | 628 +-- .../test_ff_rans2c_oneeq-reference.vtu | 596 +-- .../test_ff_rans2c_zeroeq-reference.vtu | 678 +-- ...f_rans2cni_kepsilon_twolayer-reference.vtu | 828 +-- ...ns2cni_kepsilon_wallfunction-reference.vtu | 282 +- .../test_ff_rans2cni_komega-reference.vtu | 754 +-- ...st_ff_rans2cni_lowrekepsilon-reference.vtu | 740 +-- .../test_ff_rans2cni_oneeq-reference.vtu | 644 +-- .../test_ff_rans2cni_zeroeq-reference.vtu | 724 +-- .../test_ff_stokes2c_advection-reference.vtu | 976 ++-- ...f_stokes2c_densitydrivenflow-reference.vtu | 1226 ++--- .../test_ff_stokes2c_diffusion-reference.vtu | 674 +-- ...test_ff_stokes2cni_diffusion-reference.vtu | 862 +-- ..._stokes1p2c_comparison_darcy-reference.vtu | 212 +- ...stokes1p2c_comparison_stokes-reference.vtu | 382 +- ..._stokes1p2c_horizontal_darcy-reference.vtu | 404 +- ...stokes1p2c_horizontal_stokes-reference.vtu | 298 +- ...p2c_vertical_advection_darcy-reference.vtu | 380 +- ...2c_vertical_advection_stokes-reference.vtu | 336 +- ...p2c_vertical_diffusion_darcy-reference.vtu | 510 +- ...2c_vertical_diffusion_stokes-reference.vtu | 510 +- ..._stokes1p2c_horizontal_darcy-reference.vtu | 280 +- ...stokes1p2c_horizontal_stokes-reference.vtu | 156 +- ...tokes1p2cni_horizontal_darcy-reference.vtu | 266 +- ...okes1p2cni_horizontal_stokes-reference.vtu | 174 +- .../test_tracer_implicit_box-reference.vtu | 1014 ++-- .../test_tracer_implicit_tpfa-reference.vtu | 2098 ++++---- 42 files changed, 12429 insertions(+), 12429 deletions(-) diff --git a/test/freeflow/navierstokesnc/channel/CMakeLists.txt b/test/freeflow/navierstokesnc/channel/CMakeLists.txt index e34842fcd4..6cf44fb93f 100644 --- a/test/freeflow/navierstokesnc/channel/CMakeLists.txt +++ b/test/freeflow/navierstokesnc/channel/CMakeLists.txt @@ -10,7 +10,7 @@ dune_add_test(NAME test_ff_stokes2c_diffusion_mass COMMAND ${CMAKE_SOURCE_DIR}/bin/testing/runtest.py CMD_ARGS --script fuzzy --files ${CMAKE_SOURCE_DIR}/test/references/test_ff_stokes2c_diffusion-reference.vtu - ${CMAKE_CURRENT_BINARY_DIR}/test_ff_stokes2c_diffusion_mass-00014.vtu + ${CMAKE_CURRENT_BINARY_DIR}/test_ff_stokes2c_diffusion_mass-00015.vtu --command "${CMAKE_CURRENT_BINARY_DIR}/test_ff_stokes2c_mass params_diffusion.input -Problem.Name test_ff_stokes2c_diffusion_mass" --zeroThreshold {"velocity_liq \(m/s\)":1e-22}) @@ -24,7 +24,7 @@ dune_add_test(NAME test_ff_stokes2c_diffusion_mole COMMAND ${CMAKE_SOURCE_DIR}/bin/testing/runtest.py CMD_ARGS --script fuzzy --files ${CMAKE_SOURCE_DIR}/test/references/test_ff_stokes2c_diffusion-reference.vtu - ${CMAKE_CURRENT_BINARY_DIR}/test_ff_stokes2c_diffusion_mole-00013.vtu + ${CMAKE_CURRENT_BINARY_DIR}/test_ff_stokes2c_diffusion_mole-00015.vtu --command "${CMAKE_CURRENT_BINARY_DIR}/test_ff_stokes2c params_diffusion.input -Problem.Name test_ff_stokes2c_diffusion_mole" --zeroThreshold {"velocity_liq \(m/s\)":1e-22}) diff --git a/test/freeflow/navierstokesnc/channel/params_diffusion.input b/test/freeflow/navierstokesnc/channel/params_diffusion.input index c974a39245..57cb135810 100644 --- a/test/freeflow/navierstokesnc/channel/params_diffusion.input +++ b/test/freeflow/navierstokesnc/channel/params_diffusion.input @@ -14,7 +14,7 @@ EnableInertiaTerms = false [ Newton ] MaxSteps = 10 -MaxRelativeShift = 1e-8 +MaxRelativeShift = 1e-12 [Vtk] WriteFaceData = false diff --git a/test/freeflow/ransnc/CMakeLists.txt b/test/freeflow/ransnc/CMakeLists.txt index 71d74cf058..e771bb60d9 100644 --- a/test/freeflow/ransnc/CMakeLists.txt +++ b/test/freeflow/ransnc/CMakeLists.txt @@ -11,7 +11,7 @@ dune_add_test(NAME test_ff_rans2c_kepsilon_twolayer COMMAND ${CMAKE_SOURCE_DIR}/bin/testing/runtest.py CMD_ARGS --script fuzzy --files ${CMAKE_SOURCE_DIR}/test/references/test_ff_rans2c_kepsilon_twolayer-reference.vtu - ${CMAKE_CURRENT_BINARY_DIR}/test_ff_rans2c_kepsilon_twolayer-00031.vtu + ${CMAKE_CURRENT_BINARY_DIR}/test_ff_rans2c_kepsilon_twolayer-00032.vtu --command "${CMAKE_CURRENT_BINARY_DIR}/test_ff_rans2c_kepsilon params.input -Problem.Name test_ff_rans2c_kepsilon_twolayer") @@ -46,7 +46,7 @@ dune_add_test(NAME test_ff_rans2c_lowrekepsilon COMMAND ${CMAKE_SOURCE_DIR}/bin/testing/runtest.py CMD_ARGS --script fuzzy --files ${CMAKE_SOURCE_DIR}/test/references/test_ff_rans2c_lowrekepsilon-reference.vtu - ${CMAKE_CURRENT_BINARY_DIR}/test_ff_rans2c_lowrekepsilon-00035.vtu + ${CMAKE_CURRENT_BINARY_DIR}/test_ff_rans2c_lowrekepsilon-00036.vtu --command "${CMAKE_CURRENT_BINARY_DIR}/test_ff_rans2c_lowrekepsilon params.input -Problem.Name test_ff_rans2c_lowrekepsilon") @@ -71,7 +71,7 @@ dune_add_test(NAME test_ff_rans2c_zeroeq COMMAND ${CMAKE_SOURCE_DIR}/bin/testing/runtest.py CMD_ARGS --script fuzzy --files ${CMAKE_SOURCE_DIR}/test/references/test_ff_rans2c_zeroeq-reference.vtu - ${CMAKE_CURRENT_BINARY_DIR}/test_ff_rans2c_zeroeq-00029.vtu + ${CMAKE_CURRENT_BINARY_DIR}/test_ff_rans2c_zeroeq-00030.vtu --command "${CMAKE_CURRENT_BINARY_DIR}/test_ff_rans2c_zeroeq params.input -Problem.Name test_ff_rans2c_zeroeq") diff --git a/test/multidomain/boundary/stokesdarcy/1p2c_2p2c/CMakeLists.txt b/test/multidomain/boundary/stokesdarcy/1p2c_2p2c/CMakeLists.txt index b0fe3c01d5..9f6195c3a8 100644 --- a/test/multidomain/boundary/stokesdarcy/1p2c_2p2c/CMakeLists.txt +++ b/test/multidomain/boundary/stokesdarcy/1p2c_2p2c/CMakeLists.txt @@ -22,9 +22,9 @@ dune_add_test(NAME test_md_boundary_darcy2p2cni_stokes1p2cni_horizontal COMMAND ${CMAKE_SOURCE_DIR}/bin/testing/runtest.py CMD_ARGS --script fuzzy --files ${CMAKE_SOURCE_DIR}/test/references/test_md_boundary_darcy2p2cni_stokes1p2cni_horizontal_stokes-reference.vtu - ${CMAKE_CURRENT_BINARY_DIR}/test_md_boundary_darcy2p2cni_stokes1p2cni_horizontal_stokes-00039.vtu + ${CMAKE_CURRENT_BINARY_DIR}/test_md_boundary_darcy2p2cni_stokes1p2cni_horizontal_stokes-00040.vtu ${CMAKE_SOURCE_DIR}/test/references/test_md_boundary_darcy2p2cni_stokes1p2cni_horizontal_darcy-reference.vtu - ${CMAKE_CURRENT_BINARY_DIR}/test_md_boundary_darcy2p2cni_stokes1p2cni_horizontal_darcy-00039.vtu + ${CMAKE_CURRENT_BINARY_DIR}/test_md_boundary_darcy2p2cni_stokes1p2cni_horizontal_darcy-00040.vtu --command "${CMAKE_CURRENT_BINARY_DIR}/test_md_boundary_darcy2p2cni_stokes1p2cni_horizontal params_nonisothermal.input -Vtk.OutputName test_md_boundary_darcy2p2cni_stokes1p2cni_horizontal") diff --git a/test/porousmediumflow/3p3c/implicit/columnxylol/CMakeLists.txt b/test/porousmediumflow/3p3c/implicit/columnxylol/CMakeLists.txt index 99554f507b..fa42d5a0d4 100644 --- a/test/porousmediumflow/3p3c/implicit/columnxylol/CMakeLists.txt +++ b/test/porousmediumflow/3p3c/implicit/columnxylol/CMakeLists.txt @@ -9,7 +9,7 @@ dune_add_test(NAME test_3p3cni_columnxylol_box COMMAND ${CMAKE_SOURCE_DIR}/bin/testing/runtest.py CMD_ARGS --script fuzzy --files ${CMAKE_SOURCE_DIR}/test/references/test_3p3cni_columnxylol_box-reference.vtu - ${CMAKE_CURRENT_BINARY_DIR}/test_3p3cni_columnxylol_box-00062.vtu + ${CMAKE_CURRENT_BINARY_DIR}/test_3p3cni_columnxylol_box-00061.vtu --command "${CMAKE_CURRENT_BINARY_DIR}/test_3p3cni_columnxylol_box params.input -Problem.Name test_3p3cni_columnxylol_box") dune_add_test(NAME test_3p3cni_columnxylol_tpfa diff --git a/test/references/test_3p3c_infiltration_box-reference.vtu b/test/references/test_3p3c_infiltration_box-reference.vtu index c9979e119e..4494a3a2c6 100644 --- a/test/references/test_3p3c_infiltration_box-reference.vtu +++ b/test/references/test_3p3c_infiltration_box-reference.vtu @@ -4,17 +4,17 @@ - 0.97 0.970035 0.97 0.97004 0.970056 0.97007 0.970081 0.970099 0.970109 0.970114 0.970228 0.970298 - 0.97025 0.970325 0.970176 0.970194 0.970194 0.970235 0.970214 0.970259 0.970234 0.970283 0.970255 0.970308 + 0.97 0.970035 0.97 0.97004 0.970056 0.97007 0.970081 0.970099 0.970109 0.970114 0.970227 0.970297 + 0.97025 0.970324 0.970176 0.970194 0.970194 0.970235 0.970214 0.970259 0.970234 0.970283 0.970255 0.970308 0.970275 0.970333 0.970296 0.970358 0.970316 0.970383 0.970334 0.970408 0.970341 0.970415 0.970342 0.970414 0.970343 0.970414 0.970342 0.970414 0.970342 0.970413 0.970341 0.970412 0.97034 0.970411 0.97034 0.97041 0.970339 0.97041 0.970339 0.970409 0.970339 0.970409 0.970338 0.970408 0.970337 0.970408 0.970337 0.970407 - 0.970336 0.970406 0.970336 0.970406 0.970336 0.970406 0.970335 0.970405 0.970335 0.970406 0.970336 0.970407 - 0.970335 0.970408 0.970332 0.97041 0.970322 0.970407 0.970287 0.970385 0.97 0.97 0.97 0.966741 - 0.9692 0.9698 0.96899 0.969275 0.969269 0.969149 0.969684 0.969647 0.969606 0.969514 0.969275 0.968776 - 0.96763 0.965134 0.960215 0.95259 0.942587 0.93056 0.916654 0.901085 0.883975 0.865404 0.845455 0.824389 - 0.802296 0.779063 0.755431 0.731114 0.706657 0.682175 0.657728 0.63334 0.609593 0.585945 0.5617 0.535395 - 0.504984 0.466663 0.482422 0.12 0.12 0.12 0.12 0.12 0.120001 0.120001 0.12 0.12 + 0.970336 0.970406 0.970336 0.970406 0.970336 0.970406 0.970335 0.970405 0.970335 0.970406 0.970336 0.970406 + 0.970335 0.970408 0.970332 0.97041 0.970322 0.970407 0.970287 0.970385 0.97 0.97 0.97 0.966736 + 0.969186 0.969801 0.968949 0.969332 0.969326 0.969104 0.969683 0.969647 0.969606 0.96951 0.969274 0.968776 + 0.967629 0.965132 0.960214 0.95259 0.942588 0.930561 0.916654 0.901085 0.883975 0.865404 0.845455 0.824389 + 0.802296 0.779063 0.755431 0.731114 0.706657 0.682175 0.657728 0.63334 0.609594 0.585947 0.561702 0.535397 + 0.50498 0.466644 0.482422 0.12 0.12 0.12 0.12 0.12 0.120001 0.120001 0.12 0.12 0.12 0.12 0.12 0.12 0.12 0.12 0.12 0.12 0.12 0.12 0.12 0.12 0.12 0.12 0.12 0.12 0.12 0.12 0.12 0.12 0.12 0.12 0.12 0.12 0.12 0.12 0.12 0.12 0.12 0.12 0.12 0.12 0.12 0.12 0.12 0.12 @@ -23,106 +23,26 @@ 0.12 0.12 0.12 0.12 0.12 0.12 0.12 0.12 0.12 0.12 0.12 0.12 0.12 - - 0 0 0 0 0 0 0 0 0 0 0 0 - 0 0 0 0 0 0 0 0 0 0 0 0 - 0 0 0 0 0 0 0 0 0 0 0 0 - 0 0 0 0 0 0 0 0 0 0 0 0 - 0 0 0 0 0 0 0 0 0 0 0 0 - 0 0 0 0 0 0 0 0 0 0 0 0 - 0 0 0 0 0 0 0 0 0 0 0 0 - 0 0 0 0.000688086 0.000688087 0 0 0 0 0 0 0 - 0 0 0 0 0 0 0 0 0 0 0 0 - 0 0 0 0 0 0 0 0 0 0 0 0 - 0 0 0 0 0 0 0 3.99409e-06 0.0498337 0.0498336 3.95257e-06 0 - 0 0 0 0 0 0 0 0 0 0 0 0 - 0 0 0 0 0 0 0 0 0 0 0 0 - 0 0 0 0 0 0 0 0 0 0 0 0 - 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999.672 999.669 999.657 999.648 999.64 999.634 999.629 999.624 999.619 999.615 999.612 999.608 + 999.605 999.601 999.598 999.595 999.592 999.589 999.586 999.583 999.581 999.578 999.576 999.573 999.57 999.568 999.565 999.563 999.561 999.558 999.556 999.554 999.552 999.549 999.547 999.545 999.543 999.541 999.539 999.537 999.535 999.533 999.531 999.529 999.527 999.525 999.523 999.522 - 999.52 999.518 999.516 999.514 999.513 999.511 999.509 999.507 999.505 999.504 980.271 998.421 + 999.52 999.518 999.516 999.514 999.513 999.511 999.509 999.507 999.505 999.504 980.263 998.421 999.593 999.677 999.667 999.655 999.645 999.637 999.631 999.625 999.62 999.615 999.611 999.607 - 999.604 999.6 999.597 999.594 999.591 999.587 999.585 999.582 999.579 999.576 999.573 999.571 + 999.604 999.6 999.597 999.594 999.591 999.588 999.585 999.582 999.579 999.576 999.574 999.571 999.568 999.566 999.563 999.561 999.558 999.556 999.554 999.552 999.549 999.547 999.545 999.543 - 999.541 999.539 999.536 999.534 999.532 999.53 999.529 999.527 999.525 999.523 999.521 999.519 - 999.517 999.515 999.513 999.512 999.51 999.508 999.506 999.504 999.503 999.501 999.499 999.226 - 999.596 999.676 999.672 999.66 999.65 999.641 999.633 999.626 999.621 999.616 999.611 999.607 + 999.541 999.539 999.536 999.534 999.532 999.531 999.529 999.527 999.525 999.523 999.521 999.519 + 999.517 999.515 999.513 999.512 999.51 999.508 999.506 999.504 999.503 999.501 999.499 999.227 + 999.596 999.676 999.672 999.66 999.649 999.641 999.633 999.626 999.621 999.616 999.611 999.607 999.603 999.599 999.596 999.592 999.589 999.586 999.583 999.58 999.577 999.574 999.572 999.569 999.566 999.564 999.561 999.559 999.556 999.554 999.552 999.549 999.547 999.545 999.543 999.54 999.538 999.536 999.534 999.532 999.53 999.528 999.526 999.524 999.522 999.52 999.518 999.516 @@ -490,17 +490,17 @@ 999.669 999.674 999.67 999.661 999.651 999.642 999.635 999.628 999.621 999.616 999.611 999.606 999.602 999.598 999.594 999.591 999.588 999.584 999.581 999.578 999.575 999.572 999.57 999.567 999.564 999.562 999.559 999.557 999.554 999.552 999.549 999.547 999.545 999.542 999.54 999.538 - 999.536 999.534 999.532 999.53 999.527 999.525 999.523 999.521 999.52 999.518 999.516 999.514 + 999.536 999.534 999.532 999.53 999.528 999.526 999.523 999.522 999.52 999.518 999.516 999.514 999.512 999.51 999.508 999.506 999.505 999.503 999.501 999.499 999.497 999.496 999.494 999.492 999.49 999.662 999.66 999.655 999.649 999.641 999.634 999.628 999.621 999.616 999.61 999.606 999.601 999.597 999.593 999.59 999.586 999.583 999.58 999.576 999.573 999.571 999.568 999.565 - 999.562 999.56 999.557 999.554 999.552 999.549 999.547 999.545 999.542 999.54 999.538 999.536 - 999.533 999.531 999.529 999.527 999.525 999.523 999.521 999.519 999.517 999.515 999.513 999.511 + 999.562 999.56 999.557 999.555 999.552 999.55 999.547 999.545 999.542 999.54 999.538 999.536 + 999.534 999.531 999.529 999.527 999.525 999.523 999.521 999.519 999.517 999.515 999.513 999.511 999.509 999.508 999.506 999.504 999.502 999.5 999.498 999.497 999.495 999.493 999.491 999.489 - 999.488 999.486 999.646 999.645 999.642 999.637 999.631 999.626 999.62 999.615 999.609 999.605 + 999.488 999.486 999.646 999.645 999.641 999.637 999.631 999.626 999.62 999.615 999.609 999.605 999.6 999.596 999.592 999.588 999.585 999.581 999.578 999.575 999.572 999.569 999.566 999.563 - 999.56 999.557 999.555 999.552 999.55 999.547 999.545 999.542 999.54 999.538 999.536 999.533 - 999.531 999.529 999.527 999.525 999.523 999.521 999.518 999.516 999.514 999.513 999.511 999.509 + 999.56 999.558 999.555 999.552 999.55 999.547 999.545 999.543 999.54 999.538 999.536 999.533 + 999.531 999.529 999.527 999.525 999.523 999.521 999.518 999.516 999.515 999.513 999.511 999.509 999.507 999.505 999.503 999.501 999.499 999.497 999.496 999.494 999.492 999.49 999.489 999.487 999.485 999.483 999.481 999.632 999.631 999.629 999.626 999.621 999.617 999.612 999.607 999.603 999.598 999.594 999.59 999.586 999.583 999.579 999.576 999.573 999.57 999.567 999.564 999.561 @@ -510,7 +510,7 @@ 999.482 999.481 999.479 999.477 999.62 999.62 999.618 999.615 999.612 999.608 999.604 999.6 999.596 999.592 999.588 999.584 999.581 999.577 999.574 999.571 999.568 999.565 999.562 999.559 999.556 999.553 999.551 999.548 999.545 999.543 999.54 999.538 999.536 999.533 999.531 999.529 - 999.526 999.524 999.522 999.52 999.518 999.516 999.513 999.511 999.509 999.507 999.505 999.504 + 999.526 999.524 999.522 999.52 999.518 999.516 999.514 999.511 999.509 999.508 999.505 999.504 999.502 999.5 999.498 999.496 999.494 999.492 999.49 999.489 999.487 999.485 999.483 999.481 999.48 999.478 999.476 999.474 999.473 999.609 999.609 999.607 999.605 999.603 999.6 999.596 999.593 999.589 999.586 999.582 999.578 999.575 999.572 999.569 999.566 999.562 999.56 999.557 @@ -520,15 +520,15 @@ 999.477 999.475 999.473 999.472 999.47 999.468 999.599 999.599 999.598 999.596 999.594 999.591 999.588 999.585 999.582 999.579 999.576 999.573 999.569 999.566 999.563 999.56 999.557 999.554 999.552 999.549 999.546 999.544 999.541 999.538 999.536 999.533 999.531 999.529 999.526 999.524 - 999.522 999.519 999.517 999.515 999.513 999.511 999.509 999.506 999.504 999.502 999.5 999.498 - 999.496 999.495 999.493 999.491 999.489 999.487 999.485 999.483 999.482 999.48 999.478 999.476 + 999.522 999.519 999.517 999.515 999.513 999.511 999.509 999.507 999.504 999.502 999.5 999.498 + 999.497 999.495 999.493 999.491 999.489 999.487 999.485 999.483 999.482 999.48 999.478 999.476 999.474 999.473 999.471 999.469 999.467 999.465 999.464 999.59 999.59 999.589 999.587 999.586 999.583 999.581 999.578 999.575 999.572 999.569 999.566 999.563 999.561 999.558 999.555 999.552 - 999.549 999.546 999.544 999.541 999.539 999.536 999.534 999.531 999.529 999.526 999.524 999.521 + 999.549 999.547 999.544 999.541 999.539 999.536 999.534 999.531 999.529 999.526 999.524 999.522 999.519 999.517 999.515 999.513 999.51 999.508 999.506 999.504 999.502 999.5 999.498 999.496 - 999.494 999.492 999.49 999.488 999.486 999.484 999.482 999.481 999.479 999.477 999.475 999.473 + 999.494 999.492 999.49 999.488 999.486 999.484 999.483 999.481 999.479 999.477 999.475 999.473 999.472 999.47 999.468 999.466 999.465 999.463 999.461 999.459 999.581 999.581 999.58 999.579 - 999.578 999.576 999.573 999.571 999.568 999.566 999.563 999.56 999.558 999.555 999.552 999.549 + 999.577 999.576 999.573 999.571 999.568 999.566 999.563 999.56 999.558 999.555 999.552 999.549 999.547 999.544 999.541 999.539 999.536 999.534 999.531 999.529 999.526 999.524 999.521 999.519 999.517 999.515 999.512 999.51 999.508 999.506 999.504 999.502 999.499 999.497 999.495 999.493 999.491 999.489 999.487 999.486 999.484 999.482 999.48 999.478 999.476 999.474 999.473 999.471 @@ -537,23 +537,23 @@ 999.544 999.541 999.539 999.536 999.534 999.531 999.529 999.526 999.524 999.521 999.519 999.517 999.514 999.512 999.51 999.508 999.505 999.503 999.501 999.499 999.497 999.495 999.493 999.491 999.489 999.487 999.485 999.483 999.481 999.479 999.477 999.475 999.474 999.472 999.47 999.468 - 999.466 999.464 999.463 999.461 999.459 999.457 999.456 999.454 999.452 999.45 999.565 999.565 + 999.466 999.465 999.463 999.461 999.459 999.457 999.456 999.454 999.452 999.45 999.565 999.565 999.565 999.564 999.562 999.561 999.559 999.557 999.555 999.553 999.551 999.548 999.546 999.544 999.541 999.539 999.536 999.534 999.531 999.529 999.526 999.524 999.521 999.519 999.517 999.514 999.512 999.51 999.507 999.505 999.503 999.501 999.499 999.497 999.494 999.492 999.49 999.488 999.486 999.484 999.482 999.48 999.478 999.477 999.475 999.473 999.471 999.469 999.467 999.465 - 999.464 999.462 999.46 999.458 999.456 999.455 999.453 999.451 999.449 999.448 999.446 999.558 + 999.464 999.462 999.46 999.458 999.456 999.455 999.453 999.451 999.45 999.448 999.446 999.558 999.558 999.557 999.556 999.555 999.554 999.552 999.551 999.549 999.547 999.545 999.542 999.54 - 999.538 999.536 999.533 999.531 999.528 999.526 999.523 999.521 999.519 999.516 999.514 999.512 - 999.509 999.507 999.505 999.503 999.5 999.498 999.496 999.494 999.492 999.49 999.488 999.486 + 999.538 999.536 999.533 999.531 999.528 999.526 999.524 999.521 999.519 999.516 999.514 999.512 + 999.51 999.507 999.505 999.503 999.501 999.498 999.496 999.494 999.492 999.49 999.488 999.486 999.484 999.482 999.48 999.478 999.476 999.474 999.472 999.47 999.468 999.466 999.465 999.463 999.461 999.459 999.457 999.456 999.454 999.452 999.45 999.449 999.447 999.445 999.443 999.442 999.551 999.551 999.55 999.549 999.549 999.547 999.546 999.544 999.543 999.541 999.539 999.537 - 999.534 999.532 999.53 999.528 999.525 999.523 999.521 999.518 999.516 999.514 999.512 999.509 - 999.507 999.505 999.502 999.5 999.498 999.496 999.494 999.492 999.489 999.487 999.485 999.483 + 999.535 999.532 999.53 999.528 999.525 999.523 999.521 999.518 999.516 999.514 999.512 999.509 + 999.507 999.505 999.503 999.5 999.498 999.496 999.494 999.492 999.489 999.487 999.485 999.483 999.481 999.479 999.477 999.475 999.473 999.471 999.469 999.468 999.466 999.464 999.462 999.46 999.458 999.456 999.455 999.453 999.451 999.449 999.448 999.446 999.444 999.442 999.441 999.439 - 999.437 999.544 999.544 999.543 999.543 999.542 999.541 999.54 999.538 999.536 999.535 999.533 + 999.437 999.544 999.544 999.543 999.543 999.542 999.541 999.54 999.538 999.537 999.535 999.533 999.531 999.529 999.527 999.525 999.522 999.52 999.518 999.516 999.513 999.511 999.509 999.507 999.504 999.502 999.5 999.498 999.496 999.493 999.491 999.489 999.487 999.485 999.483 999.481 999.479 999.477 999.475 999.473 999.471 999.469 999.467 999.465 999.463 999.461 999.459 999.457 @@ -563,14 +563,14 @@ 999.502 999.5 999.497 999.495 999.493 999.491 999.489 999.487 999.484 999.482 999.48 999.478 999.476 999.474 999.472 999.47 999.468 999.466 999.464 999.462 999.46 999.459 999.457 999.455 999.453 999.451 999.449 999.448 999.446 999.444 999.442 999.44 999.439 999.437 999.435 999.433 - 999.432 999.43 999.428 999.531 999.531 999.531 999.53 999.53 999.529 999.527 999.526 999.525 - 999.523 999.522 999.52 999.518 999.516 999.514 999.512 999.51 999.508 999.506 999.503 999.501 + 999.432 999.43 999.428 999.531 999.531 999.531 999.53 999.53 999.529 999.528 999.526 999.525 + 999.523 999.522 999.52 999.518 999.516 999.514 999.512 999.51 999.508 999.506 999.504 999.501 999.499 999.497 999.495 999.493 999.49 999.488 999.486 999.484 999.482 999.48 999.478 999.476 999.474 999.472 999.47 999.468 999.466 999.464 999.462 999.46 999.458 999.456 999.454 999.452 - 999.45 999.448 999.447 999.445 999.443 999.441 999.44 999.438 999.436 999.434 999.433 999.431 + 999.45 999.449 999.447 999.445 999.443 999.441 999.44 999.438 999.436 999.434 999.433 999.431 999.429 999.427 999.426 999.424 999.525 999.525 999.525 999.524 999.524 999.523 999.522 999.521 999.519 999.518 999.516 999.514 999.513 999.511 999.509 999.507 999.505 999.503 999.501 999.499 - 999.496 999.494 999.492 999.49 999.488 999.486 999.484 999.481 999.479 999.477 999.475 999.473 + 999.497 999.494 999.492 999.49 999.488 999.486 999.484 999.482 999.479 999.477 999.475 999.473 999.471 999.469 999.467 999.465 999.463 999.461 999.459 999.457 999.455 999.453 999.451 999.45 999.448 999.446 999.444 999.442 999.44 999.439 999.437 999.435 999.433 999.432 999.43 999.428 999.426 999.425 999.423 999.421 999.419 999.519 999.519 999.519 999.519 999.518 999.517 999.516 @@ -578,40 +578,40 @@ 999.494 999.492 999.49 999.487 999.485 999.483 999.481 999.479 999.477 999.475 999.473 999.471 999.469 999.466 999.464 999.462 999.46 999.458 999.456 999.455 999.453 999.451 999.449 999.447 999.445 999.443 999.441 999.44 999.438 999.436 999.434 999.432 999.431 999.429 999.427 999.425 - 999.424 999.422 999.42 999.418 999.417 999.415 999.514 999.514 999.514 999.513 999.512 999.512 + 999.424 999.422 999.42 999.418 999.417 999.415 999.514 999.514 999.514 999.513 999.513 999.512 999.511 999.51 999.508 999.507 999.506 999.504 999.502 999.501 999.499 999.497 999.495 999.493 - 999.491 999.489 999.487 999.485 999.483 999.481 999.478 999.476 999.474 999.472 999.47 999.468 + 999.491 999.489 999.487 999.485 999.483 999.481 999.479 999.476 999.474 999.472 999.47 999.468 999.466 999.464 999.462 999.46 999.458 999.456 999.454 999.452 999.45 999.448 999.446 999.444 - 999.442 999.441 999.439 999.437 999.435 999.433 999.431 999.43 999.428 999.426 999.424 999.423 + 999.442 999.441 999.439 999.437 999.435 999.433 999.432 999.43 999.428 999.426 999.424 999.423 999.421 999.419 999.417 999.416 999.414 999.412 999.411 999.509 999.508 999.508 999.508 999.507 - 999.506 999.505 999.504 999.503 999.502 999.5 999.499 999.497 999.496 999.494 999.492 999.49 + 999.506 999.506 999.504 999.503 999.502 999.501 999.499 999.497 999.496 999.494 999.492 999.49 999.488 999.486 999.484 999.482 999.48 999.478 999.476 999.474 999.472 999.47 999.468 999.466 - 999.463 999.461 999.459 999.457 999.455 999.453 999.451 999.449 999.447 999.445 999.444 999.442 + 999.464 999.461 999.459 999.457 999.455 999.453 999.451 999.449 999.447 999.446 999.444 999.442 999.44 999.438 999.436 999.434 999.432 999.431 999.429 999.427 999.425 999.423 999.422 999.42 999.418 999.417 999.415 999.413 999.411 999.41 999.408 999.406 999.503 999.503 999.503 999.503 999.502 999.501 999.5 999.499 999.498 999.497 999.496 999.494 999.492 999.491 999.489 999.487 - 999.485 999.483 999.481 999.479 999.477 999.475 999.473 999.471 999.469 999.467 999.465 999.463 + 999.485 999.483 999.482 999.479 999.477 999.475 999.473 999.471 999.469 999.467 999.465 999.463 999.461 999.459 999.457 999.455 999.453 999.451 999.449 999.447 999.445 999.443 999.441 999.439 999.437 999.435 999.433 999.432 999.43 999.428 999.426 999.424 999.423 999.421 999.419 999.417 - 999.416 999.414 999.412 999.41 999.409 999.407 999.405 999.403 999.402 999.498 999.498 999.498 + 999.416 999.414 999.412 999.41 999.409 999.407 999.405 999.403 999.402 999.499 999.498 999.498 999.498 999.497 999.496 999.496 999.495 999.493 999.492 999.491 999.489 999.488 999.486 999.484 - 999.482 999.481 999.479 999.477 999.475 999.473 999.471 999.469 999.467 999.465 999.463 999.461 + 999.483 999.481 999.479 999.477 999.475 999.473 999.471 999.469 999.467 999.465 999.463 999.461 999.458 999.456 999.454 999.452 999.45 999.448 999.446 999.444 999.442 999.44 999.438 999.437 - 999.435 999.433 999.431 999.429 999.427 999.425 999.423 999.422 999.42 999.418 999.416 999.415 + 999.435 999.433 999.431 999.429 999.427 999.425 999.424 999.422 999.42 999.418 999.416 999.415 999.413 999.411 999.409 999.408 999.406 999.404 999.402 999.401 999.399 999.397 999.494 999.494 999.493 999.493 999.492 999.492 999.491 999.49 999.489 999.487 999.486 999.485 999.483 999.481 999.48 999.478 999.476 999.474 999.472 999.47 999.468 999.466 999.464 999.462 999.46 999.458 999.456 999.454 999.452 999.45 999.448 999.446 999.444 999.442 999.44 999.438 999.436 999.434 - 999.432 999.43 999.428 999.426 999.424 999.423 999.421 999.419 999.417 999.415 999.414 999.412 + 999.432 999.43 999.428 999.426 999.425 999.423 999.421 999.419 999.417 999.415 999.414 999.412 999.41 999.408 999.407 999.405 999.403 999.401 999.4 999.398 999.396 999.395 999.393 999.464 - 999.464 999.463 999.463 999.463 999.462 999.461 999.461 999.46 999.459 999.458 999.456 999.455 + 999.464 999.464 999.463 999.463 999.462 999.461 999.461 999.46 999.459 999.458 999.457 999.455 999.454 999.453 999.451 999.45 999.448 999.447 999.445 999.444 999.442 999.441 999.439 999.438 999.436 999.434 999.433 999.431 999.43 999.428 999.427 999.425 999.424 999.422 999.421 999.419 999.418 999.417 999.415 999.414 999.412 999.411 999.41 999.408 999.407 999.406 999.404 999.403 999.402 999.401 999.399 999.398 999.397 999.396 999.395 999.393 999.392 999.391 999.39 999.388 999.425 999.425 999.425 999.425 999.425 999.424 999.424 999.424 999.423 999.422 999.422 999.421 999.42 999.42 999.419 999.418 999.417 999.416 999.416 999.415 999.414 999.413 999.412 999.411 - 999.41 999.409 999.408 999.408 999.407 999.406 999.405 999.404 999.403 999.403 999.402 999.401 + 999.41 999.409 999.409 999.408 999.407 999.406 999.405 999.404 999.403 999.403 999.402 999.401 999.4 999.399 999.399 999.398 999.397 999.396 999.396 999.395 999.394 999.394 999.393 999.392 999.392 999.391 999.39 999.39 999.389 999.388 999.388 999.387 999.387 999.386 999.385 999.385 999.384 999.401 999.401 999.401 999.401 999.401 999.4 999.4 999.4 999.4 999.399 999.399 @@ -626,7 +626,7 @@ 999.377 999.377 999.377 999.377 999.377 999.377 999.376 999.376 999.376 999.376 999.376 999.376 999.375 999.375 999.375 999.376 999.376 999.376 999.376 999.376 999.376 999.376 999.376 999.376 999.376 999.376 999.376 999.376 999.376 999.375 999.375 999.375 999.375 999.375 999.375 999.375 - 999.375 999.374 999.374 999.374 999.374 999.374 999.374 999.374 999.374 999.373 999.373 999.373 + 999.375 999.374 999.374 999.374 999.374 999.374 999.374 999.374 999.373 999.373 999.373 999.373 999.373 999.373 999.373 999.373 999.373 999.373 999.372 999.372 999.372 999.372 999.372 999.372 999.372 999.372 999.372 999.372 999.372 999.372 999.371 999.371 999.371 999.371 999.371 999.371 999.371 999.371 999.371 999.371 999.371 999.371 999.371 999.371 999.37 999.37 999.37 999.37 @@ -637,191 +637,191 @@ 999.367 999.367 999.366 999.366 999.366 - 197.979 198.002 197.952 197.983 198.059 198.055 198.124 198.129 198.181 198.188 198.224 198.23 - 198.252 198.258 198.269 198.273 198.276 198.279 198.275 198.278 198.269 198.271 198.259 198.26 - 198.245 198.246 198.23 198.23 198.212 198.212 198.194 198.194 198.174 198.174 198.154 198.154 + 197.979 198.002 197.951 197.983 198.058 198.055 198.123 198.129 198.18 198.188 198.223 198.23 + 198.252 198.257 198.268 198.273 198.275 198.278 198.275 198.277 198.269 198.271 198.259 198.26 + 198.245 198.246 198.23 198.23 198.212 198.212 198.193 198.194 198.174 198.174 198.154 198.154 198.134 198.133 198.113 198.113 198.092 198.092 198.072 198.071 198.051 198.051 198.031 198.03 - 198.01 198.01 197.99 197.99 197.971 197.97 197.951 197.951 197.932 197.932 197.913 197.913 - 197.894 197.894 197.876 197.876 197.858 197.858 197.84 197.84 197.823 197.822 197.805 197.805 - 197.788 197.788 197.772 197.771 197.755 197.755 197.739 197.738 197.723 197.722 197.707 197.706 - 197.691 197.691 197.676 197.675 197.66 197.66 197.645 197.645 197.63 197.63 197.616 197.615 - 197.601 197.6 197.586 197.586 197.572 197.572 197.558 197.557 197.544 197.543 197.529 197.529 + 198.011 198.01 197.991 197.99 197.971 197.97 197.951 197.951 197.932 197.932 197.913 197.913 + 197.895 197.894 197.876 197.876 197.858 197.858 197.84 197.84 197.823 197.822 197.806 197.805 + 197.789 197.788 197.772 197.771 197.755 197.755 197.739 197.739 197.723 197.722 197.707 197.707 + 197.691 197.691 197.676 197.675 197.661 197.66 197.645 197.645 197.631 197.63 197.616 197.615 + 197.601 197.601 197.587 197.586 197.572 197.572 197.558 197.557 197.544 197.543 197.53 197.529 197.516 197.515 197.502 197.501 197.488 197.487 197.474 197.474 197.461 197.46 197.448 197.447 - 197.442 197.431 197.842 197.923 198.06 198.152 198.213 198.252 198.275 198.286 198.289 198.285 - 198.276 198.264 198.249 198.232 198.214 198.195 198.174 198.154 198.133 198.113 198.092 198.071 - 198.05 198.03 198.01 197.989 197.97 197.95 197.931 197.912 197.893 197.875 197.857 197.839 - 197.822 197.804 197.787 197.771 197.754 197.738 197.722 197.706 197.69 197.675 197.66 197.644 - 197.629 197.615 197.6 197.586 197.571 197.557 197.543 197.529 197.515 197.501 197.487 197.473 - 197.459 197.445 197.431 197.404 197.929 198.11 198.204 198.258 198.289 198.304 198.308 198.305 - 198.297 198.285 198.271 198.254 198.236 198.216 198.196 198.176 198.155 198.134 198.113 198.091 - 198.071 198.05 198.029 198.009 197.989 197.969 197.95 197.93 197.911 197.893 197.874 197.856 - 197.839 197.821 197.804 197.787 197.77 197.754 197.737 197.721 197.705 197.69 197.674 197.659 + 197.442 197.431 197.841 197.923 198.06 198.152 198.212 198.251 198.275 198.286 198.289 198.285 + 198.276 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