diff --git a/dumux/porousmediumflow/2pnc/implicit/model.hh b/dumux/porousmediumflow/2pnc/implicit/model.hh index b91555dbfcc2545564b22013b2775a865e0341b0..93838e82e81a648a55e6c2d560b34cf58178c5e7 100644 --- a/dumux/porousmediumflow/2pnc/implicit/model.hh +++ b/dumux/porousmediumflow/2pnc/implicit/model.hh @@ -19,7 +19,7 @@ /*! * \file * -* \brief Adaption of the fully implicit box scheme to the two-phase n-component flow model. +* \brief Adaption of the fully implicit model to the two-phase n-component flow model. */ #ifndef DUMUX_2PNC_MODEL_HH @@ -68,7 +68,7 @@ namespace Dumux * = q_\lambda\f$ * * All equations are discretized using a vertex-centered finite volume (box) - * or cell-centered finite volume scheme (this is not done for 2pnc approach yet, however possible) as + * or cell-centered finite volume scheme as * spatial and the implicit Euler method as time discretization. * * By using constitutive relations for the capillary pressure \f$p_c = @@ -166,7 +166,7 @@ public: { ParentType::init(problem); - unsigned numDofs = this->numDofs(); + auto numDofs = this->numDofs(); staticDat_.resize(numDofs); @@ -174,37 +174,14 @@ public: for (const auto& element : elements(this->gridView_())) { - if (!isBox) // i.e. cell-centered discretization - { - int dofIdxGlobal = this->dofMapper().index(element); - const GlobalPosition &globalPos = element.geometry().center(); - - // initialize phase presence - staticDat_[dofIdxGlobal].phasePresence - = this->problem_().initialPhasePresence(*(this->gridView_().template begin<dim>()), - dofIdxGlobal, globalPos); - staticDat_[dofIdxGlobal].wasSwitched = false; - - staticDat_[dofIdxGlobal].oldPhasePresence - = staticDat_[dofIdxGlobal].phasePresence; - } - } - - if (isBox) // i.e. vertex-centered discretization - { - for (const auto& vertex : vertices(this->gridView_())) + FVElementGeometry fvGeometry; + fvGeometry.update(this->gridView_(), element); + for (unsigned int scvIdx = 0; scvIdx < fvGeometry.numScv; ++scvIdx) { - int dofIdxGlobal = this->dofMapper().index(vertex); - const GlobalPosition &globalPos = vertex.geometry().corner(0); - - // initialize phase presence - staticDat_[dofIdxGlobal].phasePresence - = this->problem_().initialPhasePresence(vertex, dofIdxGlobal, - globalPos); + auto dofIdxGlobal = this->dofMapper().subIndex(element, scvIdx, dofCodim); + staticDat_[dofIdxGlobal].phasePresence = this->problem_().initialPhasePresence(element, fvGeometry, scvIdx); staticDat_[dofIdxGlobal].wasSwitched = false; - - staticDat_[dofIdxGlobal].oldPhasePresence - = staticDat_[dofIdxGlobal].phasePresence; + staticDat_[dofIdxGlobal].oldPhasePresence = staticDat_[dofIdxGlobal].phasePresence; } } } @@ -271,15 +248,15 @@ public: } /*! - * \brief Returns the phase presence of the current or the old solution of a vertex. + * \brief Returns the phase presence of the current or the old solution * - * \param globalVertexIdx The global vertex index + * \param dofIdxGlobal The global DOF index * \param oldSol Evaluate function with solution of current or previous time step */ - int phasePresence(int globalVertexIdx, bool oldSol) const + int phasePresence(int dofIdxGlobal, bool oldSol) const { - return oldSol ? staticDat_[globalVertexIdx].oldPhasePresence - : staticDat_[globalVertexIdx].phasePresence; + return oldSol ? staticDat_[dofIdxGlobal].oldPhasePresence + : staticDat_[dofIdxGlobal].phasePresence; } /*! @@ -299,7 +276,7 @@ public: typedef Dune::BlockVector<Dune::FieldVector<Scalar, dim> > VectorField; // get the number of degrees of freedom - unsigned numDofs = this->numDofs(); + auto numDofs = this->numDofs(); ScalarField *Sg = writer.allocateManagedBuffer (numDofs); ScalarField *Sl = writer.allocateManagedBuffer (numDofs); @@ -312,7 +289,6 @@ public: ScalarField *mobG = writer.allocateManagedBuffer (numDofs); ScalarField *temperature = writer.allocateManagedBuffer (numDofs); ScalarField *poro = writer.allocateManagedBuffer (numDofs); - ScalarField *boxVolume = writer.allocateManagedBuffer (numDofs); VectorField *velocityN = writer.template allocateManagedBuffer<double, dim>(numDofs); VectorField *velocityW = writer.template allocateManagedBuffer<double, dim>(numDofs); ImplicitVelocityOutput<TypeTag> velocityOutput(this->problem_()); @@ -340,21 +316,17 @@ public: for (int j = 0; j < dim; ++j) //Permeability only in main directions xx and yy Perm[j] = writer.allocateManagedBuffer(numDofs); - *boxVolume = 0; - - unsigned numElements = this->gridView_().size(0); + auto numElements = this->gridView_().size(0); ScalarField *rank = writer.allocateManagedBuffer (numElements); - FVElementGeometry fvGeometry; - VolumeVariables volVars; - ElementVolumeVariables elemVolVars; - for (const auto& element : elements(this->gridView_())) { - int eIdxGlobal = this->problem_().elementMapper().index(element); + auto eIdxGlobal = this->problem_().elementMapper().index(element); (*rank)[eIdxGlobal] = this->gridView_().comm().rank(); + FVElementGeometry fvGeometry; fvGeometry.update(this->gridView_(), element); + ElementVolumeVariables elemVolVars; elemVolVars.update(this->problem_(), element, fvGeometry, @@ -362,14 +334,7 @@ public: for (int scvIdx = 0; scvIdx < fvGeometry.numScv; ++scvIdx) { - int dofIdxGlobal = this->dofMapper().subIndex(element, scvIdx, dofCodim); - - volVars.update(sol[dofIdxGlobal], - this->problem_(), - element, - fvGeometry, - scvIdx, - false); + auto dofIdxGlobal = this->dofMapper().subIndex(element, scvIdx, dofCodim); GlobalPosition globalPos = fvGeometry.subContVol[scvIdx].global; (*Sg)[dofIdxGlobal] = elemVolVars[scvIdx].saturation(nPhaseIdx); @@ -381,25 +346,20 @@ public: (*rhoG)[dofIdxGlobal] = elemVolVars[scvIdx].density(nPhaseIdx); (*mobL)[dofIdxGlobal] = elemVolVars[scvIdx].mobility(wPhaseIdx); (*mobG)[dofIdxGlobal] = elemVolVars[scvIdx].mobility(nPhaseIdx); - (*boxVolume)[dofIdxGlobal] += fvGeometry.subContVol[scvIdx].volume; (*poro)[dofIdxGlobal] = elemVolVars[scvIdx].porosity(); (*temperature)[dofIdxGlobal] = elemVolVars[scvIdx].temperature(); for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) - { for (int compIdx = 0; compIdx < numComponents; ++compIdx) - { - (*moleFraction[phaseIdx][compIdx])[dofIdxGlobal]= volVars.moleFraction(phaseIdx,compIdx); - Valgrind::CheckDefined((*moleFraction[phaseIdx][compIdx])[dofIdxGlobal]); - } - } + (*moleFraction[phaseIdx][compIdx])[dofIdxGlobal]= elemVolVars[scvIdx].moleFraction(phaseIdx,compIdx); + for (int compIdx = 0; compIdx < numComponents; ++compIdx) - (*molarity[compIdx])[dofIdxGlobal] = (volVars.molarity(wPhaseIdx, compIdx)); + (*molarity[compIdx])[dofIdxGlobal] = (elemVolVars[scvIdx].molarity(wPhaseIdx, compIdx)); Tensor K = perm_(this->problem_().spatialParams().intrinsicPermeability(element, fvGeometry, scvIdx)); for (int j = 0; j<dim; ++j) - (*Perm[j])[dofIdxGlobal] = K[j][j] /* volVars.permFactor()*/; + (*Perm[j])[dofIdxGlobal] = K[j][j]; }; // velocity output @@ -421,7 +381,6 @@ public: writer.attachDofData(*mobG, "mobG", isBox); writer.attachDofData(*poro, "porosity", isBox); writer.attachDofData(*temperature, "temperature", isBox); - writer.attachDofData(*boxVolume, "boxVolume", isBox); writer.attachDofData(*Perm[0], "Kxx", isBox); if (dim >= 2) writer.attachDofData(*Perm[1], "Kyy", isBox); @@ -436,7 +395,7 @@ public: oss << "x" << FluidSystem::componentName(j) << FluidSystem::phaseName(i); - writer.attachDofData(*moleFraction[i][j], oss.str().c_str(), isBox); + writer.attachDofData(*moleFraction[i][j], oss.str(), isBox); } } @@ -469,10 +428,6 @@ public: // write primary variables ParentType::serializeEntity(outStream, entity); int dofIdxGlobal = this->dofMapper().index(entity); - - if (!outStream.good()) - DUNE_THROW(Dune::IOError, "Could not serialize vertex " << dofIdxGlobal); - outStream << staticDat_[dofIdxGlobal].phasePresence << " "; } @@ -490,14 +445,9 @@ public: ParentType::deserializeEntity(inStream, entity); int dofIdxGlobal = this->dofMapper().index(entity); - if (!inStream.good()) - DUNE_THROW(Dune::IOError, - "Could not deserialize vertex " << dofIdxGlobal); - inStream >> staticDat_[dofIdxGlobal].phasePresence; staticDat_[dofIdxGlobal].oldPhasePresence = staticDat_[dofIdxGlobal].phasePresence; - } /*! @@ -514,19 +464,19 @@ public: for (unsigned i = 0; i < staticDat_.size(); ++i) staticDat_[i].visited = false; - FVElementGeometry fvGeometry; - static VolumeVariables volVars; for (const auto& element : elements(this->gridView_())) { + FVElementGeometry fvGeometry; fvGeometry.update(this->gridView_(), element); for (int scvIdx = 0; scvIdx < fvGeometry.numScv; ++scvIdx) { - int dofIdxGlobal = this->dofMapper().subIndex(element, scvIdx, dim); + auto dofIdxGlobal = this->dofMapper().subIndex(element, scvIdx, dofCodim); if (staticDat_[dofIdxGlobal].visited) continue; staticDat_[dofIdxGlobal].visited = true; + VolumeVariables volVars; volVars.update(curGlobalSol[dofIdxGlobal], this->problem_(), element, @@ -542,7 +492,8 @@ public: // make sure that if there was a variable switch in an // other partition we will also set the switch flag // for our partition. - wasSwitched = this->gridView_().comm().max(wasSwitched); + if (this->gridView_().comm().size() > 1) + wasSwitched = this->gridView_().comm().max(wasSwitched); setSwitched_(wasSwitched); } @@ -583,8 +534,7 @@ protected: */ void resetPhasePresence_() { - int numDofs = this->gridView_().size(dim); - for (int i = 0; i < numDofs; ++i) + for (int i = 0; i < this->numDofs(); ++i) { staticDat_[i].phasePresence = staticDat_[i].oldPhasePresence; @@ -597,8 +547,7 @@ protected: */ void updateOldPhasePresence_() { - int numDofs = this->gridView_().size(dim); - for (int i = 0; i < numDofs; ++i) + for (int i = 0; i < this->numDofs(); ++i) { staticDat_[i].oldPhasePresence = staticDat_[i].phasePresence; @@ -620,7 +569,8 @@ protected: * variable switch was performed. */ bool primaryVarSwitch_(SolutionVector &globalSol, - const VolumeVariables &volVars, int dofIdxGlobal, + const VolumeVariables &volVars, + int dofIdxGlobal, const GlobalPosition &globalPos) { diff --git a/dumux/porousmediumflow/2pnc/implicit/volumevariables.hh b/dumux/porousmediumflow/2pnc/implicit/volumevariables.hh index f9b1b4420fb732b96c5e3a4907a1ff466605e2c1..b0b1ac992ce0171949c296681a144930581f790d 100644 --- a/dumux/porousmediumflow/2pnc/implicit/volumevariables.hh +++ b/dumux/porousmediumflow/2pnc/implicit/volumevariables.hh @@ -131,18 +131,18 @@ public: ///////////// const MaterialLawParams &materialParams = problem.spatialParams().materialLawParams(element, fvGeometry, scvIdx); - // Second instance of a parameter cache. + // Second instance of a parameter cache. // Could be avoided if diffusion coefficients also // became part of the fluid state. typename FluidSystem::ParameterCache paramCache; paramCache.updateAll(fluidState_); for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) - {// relative permeabilities + { + // relative permeabilities Scalar kr; if (phaseIdx == wPhaseIdx) kr = MaterialLaw::krw(materialParams, saturation(wPhaseIdx)); - else // ATTENTION: krn requires the liquid saturation - // as parameter! + else // ATTENTION: krn requires the liquid saturation // as parameter! kr = MaterialLaw::krn(materialParams, saturation(wPhaseIdx)); mobility_[phaseIdx] = kr / fluidState_.viscosity(phaseIdx); @@ -181,12 +181,12 @@ public: * \param priVars The primary Variables */ static void completeFluidState(const PrimaryVariables& priVars, - const Problem& problem, - const Element& element, - const FVElementGeometry& fvGeometry, - int scvIdx, - FluidState& fluidState, - bool isOldSol = false) + const Problem& problem, + const Element& element, + const FVElementGeometry& fvGeometry, + int scvIdx, + FluidState& fluidState, + bool isOldSol = false) { Scalar t = Implementation::temperature_(priVars, problem, element, diff --git a/test/porousmediumflow/2pnc/implicit/fuelcellproblem.hh b/test/porousmediumflow/2pnc/implicit/fuelcellproblem.hh index 1f8501e8ede523db52219745fbf3806ad8399054..d49d7075e5ced201d5e0aabb89187b9370e3b278 100644 --- a/test/porousmediumflow/2pnc/implicit/fuelcellproblem.hh +++ b/test/porousmediumflow/2pnc/implicit/fuelcellproblem.hh @@ -188,14 +188,18 @@ public: const int scvIdx, const ElementVolumeVariables &elemVolVars) const { - const GlobalPosition globalPos = element.geometry().corner(scvIdx); - const VolumeVariables &volVars = elemVolVars[scvIdx]; - values = 0.0; + const auto& globalPos = isBox ? element.geometry().corner(scvIdx) + : element.geometry().center(); + //reaction sources from electro chemistry - if(onLowerBoundary_(globalPos)) - ElectroChemistry::reactionSource(values, volVars); + if(inReactionLayer_(globalPos)) + { + const auto& volVars = elemVolVars[scvIdx]; + auto currentDensity = ElectroChemistry::calculateCurrentDensity(volVars); + ElectroChemistry::reactionSource(values, currentDensity); + } } @@ -287,16 +291,16 @@ public: } /*! - * \brief Return the initial phase state inside a control volume. + * \brief Return the initial phase state inside a sub control volume. * - * \param vertex The vertex - * \param globalIdx The index of the global vertex - * \param globalPos The global position + * \param element The element of the sub control volume + * \param fvGeometry The finite volume geometry + * \param scvIdx The sub control volume index */ - int initialPhasePresence(const Vertex &vertex, - int &globalIdx, - const GlobalPosition &globalPos) const + int initialPhasePresence(const Element &element, + const FVElementGeometry &fvGeometry, + int scvIdx) const { return Indices::bothPhases; } @@ -310,7 +314,7 @@ public: typedef Dune::BlockVector<Dune::FieldVector<Scalar, 1> > ScalarField; // get the number of degrees of freedom - unsigned numDofs = this->model().numDofs(); + auto numDofs = this->model().numDofs(); // create the required scalar fields ScalarField *currentDensity = this->resultWriter().allocateManagedBuffer (numDofs); @@ -330,28 +334,32 @@ public: for (int scvIdx = 0; scvIdx < fvGeometry.numScv; ++scvIdx) { - int dofIdxGlobal = this->model().dofMapper().subIndex(element, scvIdx, dofCodim); - - //reactionSource Output - PrimaryVariables source; - this->solDependentSource(source, element, fvGeometry, scvIdx, elemVolVars); - - (*reactionSourceH2O)[dofIdxGlobal] = source[wPhaseIdx]; - (*reactionSourceO2)[dofIdxGlobal] = source[numComponents-1]; - - //Current Output - (*currentDensity)[dofIdxGlobal] = -1.0*source[numComponents-1]*4*Constant::F; - //recorrection of the area for output - Scalar gridYMin = 0.0; - Scalar gridYMax = GET_RUNTIME_PARAM(TypeTag, Scalar, Grid.UpperRightY); - Scalar nCellsY = GET_RUNTIME_PARAM(TypeTag, Scalar, Grid.NumberOfCellsY); - - Scalar lengthBox = (gridYMax - gridYMin)/nCellsY; - - // Only works for box - (*currentDensity)[dofIdxGlobal] = (*currentDensity)[dofIdxGlobal]/2*lengthBox/10000; //i in [A/cm^2] + const auto& globalPos = isBox ? element.geometry().corner(scvIdx) + : element.geometry().center(); + + auto dofIdxGlobal = this->model().dofMapper().subIndex(element, scvIdx, dofCodim); + + //reaction sources from electro chemistry + if(inReactionLayer_(globalPos)) + { + //reactionSource Output + PrimaryVariables source; + auto i = ElectroChemistry::calculateCurrentDensity(elemVolVars[scvIdx]); + ElectroChemistry::reactionSource(source, i); + + (*reactionSourceH2O)[dofIdxGlobal] = source[wPhaseIdx]; + (*reactionSourceO2)[dofIdxGlobal] = source[numComponents-1]; + + //Current Output in A/cm^2 + (*currentDensity)[dofIdxGlobal] = i/10000; + } + else + { + (*reactionSourceH2O)[dofIdxGlobal] = 0.0; + (*reactionSourceO2)[dofIdxGlobal] = 0.0; + (*currentDensity)[dofIdxGlobal] = 0.0; + } } - } this->resultWriter().attachDofData(*reactionSourceH2O, "reactionSourceH2O [mol/(sm^2)]", isBox); @@ -382,6 +390,9 @@ private: bool onUpperBoundary_(const GlobalPosition &globalPos) const { return globalPos[1] > this->bBoxMax()[1] - eps_; } + bool inReactionLayer_(const GlobalPosition& globalPos) const + { return globalPos[1] < 0.1*(this->bBoxMax()[1] - this->bBoxMin()[1]) + eps_; } + Scalar temperature_; Scalar eps_; int nTemperature_; @@ -391,6 +402,7 @@ private: Scalar temperatureLow_, temperatureHigh_; Scalar pO2Inlet_; }; + } //end namespace #endif diff --git a/test/references/fuelcell2pncbox-reference.vtu b/test/references/fuelcell2pncbox-reference.vtu index 03da97e532f70e568a89557e4c2ca893f1ef816a..80abd5597f0a53e04d8b3ba3d256a80b15c63be5 100644 --- a/test/references/fuelcell2pncbox-reference.vtu +++ b/test/references/fuelcell2pncbox-reference.vtu @@ -168,21 +168,6 @@ 310 310 310 310 310 310 310 310 310 310 310 310 310 310 310 310 310 310 310 310 310 310 </DataArray> - <DataArray type="Float32" Name="boxVolume" NumberOfComponents="1" format="ascii"> - 2.18254e-09 4.36508e-09 4.36508e-09 8.73016e-09 4.36508e-09 8.73016e-09 4.36508e-09 8.73016e-09 4.36508e-09 8.73016e-09 4.36508e-09 8.73016e-09 - 4.36508e-09 8.73016e-09 4.36508e-09 8.73016e-09 4.36508e-09 8.73016e-09 4.36508e-09 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