diff --git a/dumux/porousmediumflow/2pnc/implicit/model.hh b/dumux/porousmediumflow/2pnc/implicit/model.hh index 3c96bcb933844d01792a7527f620c67902999d3f..0c3de89aced08889eac4ee2f1f33ef656070fe84 100644 --- a/dumux/porousmediumflow/2pnc/implicit/model.hh +++ b/dumux/porousmediumflow/2pnc/implicit/model.hh @@ -285,6 +285,7 @@ public: ScalarField *mobW = writer.allocateManagedBuffer (numDofs); ScalarField *mobN = writer.allocateManagedBuffer (numDofs); ScalarField *temperature = writer.allocateManagedBuffer (numDofs); + ScalarField *phasePresence = writer.allocateManagedBuffer (numDofs); ScalarField *poro = writer.allocateManagedBuffer (numDofs); VectorField *velocityN = writer.template allocateManagedBuffer<double, dim>(numDofs); VectorField *velocityW = writer.template allocateManagedBuffer<double, dim>(numDofs); @@ -301,13 +302,13 @@ public: } ScalarField *moleFraction[numPhases][numComponents]; - for (int i = 0; i < numPhases; ++i) - for (int j = 0; j < numComponents; ++j) - moleFraction[i][j] = writer.allocateManagedBuffer(numDofs); + for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) + for (int compIdx = 0; compIdx < numComponents; ++compIdx) + moleFraction[phaseIdx][compIdx] = writer.allocateManagedBuffer(numDofs); ScalarField *molarity[numComponents]; - for (int j = 0; j < numComponents ; ++j) - molarity[j] = writer.allocateManagedBuffer(numDofs); + for (int compIdx = 0; compIdx < numComponents; ++compIdx) + molarity[compIdx] = writer.allocateManagedBuffer(numDofs); ScalarField *perm[dim]; for (int j = 0; j < dim; ++j) //Permeability only in main directions xx and yy @@ -345,6 +346,7 @@ public: (*mobN)[dofIdxGlobal] = elemVolVars[scvIdx].mobility(nPhaseIdx); (*poro)[dofIdxGlobal] = elemVolVars[scvIdx].porosity(); (*temperature)[dofIdxGlobal] = elemVolVars[scvIdx].temperature(); + (*phasePresence)[dofIdxGlobal] = staticDat_[dofIdxGlobal].phasePresence; for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) for (int compIdx = 0; compIdx < numComponents; ++compIdx) @@ -378,30 +380,28 @@ public: writer.attachDofData(*mobN, "mobN", isBox); writer.attachDofData(*poro, "porosity", isBox); writer.attachDofData(*temperature, "temperature", isBox); + writer.attachDofData(*phasePresence, "phasePresence", isBox); writer.attachDofData(*perm[0], "Kxx", isBox); if (dim >= 2) writer.attachDofData(*perm[1], "Kyy", isBox); if (dim == 3) writer.attachDofData(*perm[2], "Kzz", isBox); - for (int i = 0; i < numPhases; ++i) + for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) { - for (int j = 0; j < numComponents; ++j) + for (int compIdx = 0; compIdx < numComponents; ++compIdx) { std::ostringstream oss; - oss << "x" - << FluidSystem::componentName(j) - << FluidSystem::phaseName(i); - writer.attachDofData(*moleFraction[i][j], oss.str(), isBox); + oss << "x_" << FluidSystem::phaseName(phaseIdx) << "^" << FluidSystem::componentName(compIdx); + writer.attachDofData(*moleFraction[phaseIdx][compIdx], oss.str(), isBox); } } - for (int j = 0; j < numComponents; ++j) + for (int compIdx = 0; compIdx < numComponents; ++compIdx) { std::ostringstream oss; - oss << "m^w_" - << FluidSystem::componentName(j); - writer.attachDofData(*molarity[j], oss.str().c_str(), isBox); + oss << "m_" << FluidSystem::phaseName(wPhaseIdx) << "^" << FluidSystem::componentName(compIdx); + writer.attachDofData(*molarity[compIdx], oss.str(), isBox); } if (velocityOutput.enableOutput()) // check if velocity output is demanded @@ -673,11 +673,9 @@ protected: globalSol[dofIdxGlobal][switchIdx] = 0.9999; else if (formulation == pwsn) globalSol[dofIdxGlobal][switchIdx] = 0.0001; - } } - staticDat_[dofIdxGlobal].phasePresence = newPhasePresence; staticDat_[dofIdxGlobal].wasSwitched = wouldSwitch; return phasePresence != newPhasePresence; diff --git a/dumux/porousmediumflow/2pnc/implicit/properties.hh b/dumux/porousmediumflow/2pnc/implicit/properties.hh index 44e495060a32628912873862ba21e61bf810e442..2d4c941d9e812089d28fcd78657680d807e2f9cb 100644 --- a/dumux/porousmediumflow/2pnc/implicit/properties.hh +++ b/dumux/porousmediumflow/2pnc/implicit/properties.hh @@ -59,6 +59,7 @@ NEW_TYPE_TAG(CCTwoPNCNI, INHERITS_FROM(CCModel, TwoPNCNI)); NEW_PROP_TAG(NumPhases); //!< Number of fluid phases in the system NEW_PROP_TAG(NumComponents); //!< Number of fluid components in the system NEW_PROP_TAG(NumMajorComponents); //!< Number of major fluid components which are considered in the calculation of the phase density +NEW_PROP_TAG(SetMoleFractionsForWettingPhase); //!< Set the mole fraction in the wetting or non-wetting phase NEW_PROP_TAG(TwoPNCIndices); //!< Enumerations for the 2pncMin models NEW_PROP_TAG(Formulation); //!< The formulation of the model NEW_PROP_TAG(SpatialParams); //!< The type of the spatial parameters diff --git a/dumux/porousmediumflow/2pnc/implicit/propertydefaults.hh b/dumux/porousmediumflow/2pnc/implicit/propertydefaults.hh index 280f834e243b59be3cac5e8e751811b9502d332c..9687901a65ad6f34f7ec6e392d75db32a9a92da9 100644 --- a/dumux/porousmediumflow/2pnc/implicit/propertydefaults.hh +++ b/dumux/porousmediumflow/2pnc/implicit/propertydefaults.hh @@ -86,6 +86,9 @@ public: "The model is restricted to two phases, thus number of major components must also be two."); }; +//! Set the primary variables mole fractions for the wetting or non-wetting phase +SET_BOOL_PROP(TwoPNC, SetMoleFractionsForWettingPhase, true); + /*! * \brief Set the property for the number of fluid phases. * diff --git a/dumux/porousmediumflow/2pnc/implicit/volumevariables.hh b/dumux/porousmediumflow/2pnc/implicit/volumevariables.hh index 23dc3348f763ab039bd070e6eec9cef86c9e450f..5e499a057a28060863d51ab8e78a99f36d370217 100644 --- a/dumux/porousmediumflow/2pnc/implicit/volumevariables.hh +++ b/dumux/porousmediumflow/2pnc/implicit/volumevariables.hh @@ -200,20 +200,25 @@ public: // set the saturations ///////////// - Scalar Sg; + Scalar Sg; if (phasePresence == nPhaseOnly) Sg = 1.0; - else if (phasePresence == wPhaseOnly) { + else if (phasePresence == wPhaseOnly) + { Sg = 0.0; } - else if (phasePresence == bothPhases) { + else if (phasePresence == bothPhases) + { if (formulation == pwsn) Sg = priVars[switchIdx]; else if (formulation == pnsw) Sg = 1.0 - priVars[switchIdx]; else DUNE_THROW(Dune::InvalidStateException, "Formulation: " << formulation << " is invalid."); } - else DUNE_THROW(Dune::InvalidStateException, "phasePresence: " << phasePresence << " is invalid."); + else + { + DUNE_THROW(Dune::InvalidStateException, "phasePresence: " << phasePresence << " is invalid."); + } fluidState.setSaturation(nPhaseIdx, Sg); fluidState.setSaturation(wPhaseIdx, 1.0 - Sg); @@ -223,7 +228,7 @@ public: // calculate capillary pressure const MaterialLawParams &materialParams - = problem.spatialParams().materialLawParams(element, fvGeometry, scvIdx); + = problem.spatialParams().materialLawParams(element, fvGeometry, scvIdx); Scalar pc = MaterialLaw::pc(materialParams, 1 - Sg); // extract the pressures @@ -249,10 +254,10 @@ public: // calculate the phase compositions ///////////// - typename FluidSystem::ParameterCache paramCache; - + typename FluidSystem::ParameterCache paramCache; // now comes the tricky part: calculate phase composition - if (phasePresence == bothPhases) { + if (phasePresence == bothPhases) + { // both phases are present, phase composition results from // the nonwetting <-> wetting equilibrium. This is // the job of the "MiscibleMultiPhaseComposition" @@ -260,55 +265,63 @@ public: // set the known mole fractions in the fluidState so that they // can be used by the Miscible2pNCComposition constraint solver + unsigned int knownPhaseIdx = nPhaseIdx; + if (GET_PROP_VALUE(TypeTag, SetMoleFractionsForWettingPhase)) + { + knownPhaseIdx = wPhaseIdx; + } + for (int compIdx=numMajorComponents; compIdx<numComponents; ++compIdx) { - fluidState.setMoleFraction(wPhaseIdx, compIdx, priVars[compIdx]); + fluidState.setMoleFraction(knownPhaseIdx, compIdx, priVars[compIdx]); } Miscible2pNCComposition::solve(fluidState, paramCache, - wPhaseIdx, //known phaseIdx + knownPhaseIdx, /*setViscosity=*/true, /*setEnthalpy=*/false); } - else if (phasePresence == nPhaseOnly){ - + else if (phasePresence == nPhaseOnly) + { Dune::FieldVector<Scalar, numComponents> moleFrac; - moleFrac[wCompIdx] = priVars[switchIdx]; - for (int compIdx=numMajorComponents; compIdx<numComponents; ++compIdx) - moleFrac[compIdx] = priVars[compIdx]; - + { + moleFrac[compIdx] = priVars[compIdx]; + } Scalar sumMoleFracOtherComponents = 0; for (int compIdx=numMajorComponents; compIdx<numComponents; ++compIdx) - sumMoleFracOtherComponents+=moleFrac[compIdx]; + { + sumMoleFracOtherComponents+=moleFrac[compIdx]; + } sumMoleFracOtherComponents += moleFrac[wCompIdx]; moleFrac[nCompIdx] = 1 - sumMoleFracOtherComponents; - // Set fluid state mole fractions for (int compIdx=0; compIdx<numComponents; ++compIdx) - fluidState.setMoleFraction(nPhaseIdx, compIdx, moleFrac[compIdx]); - + { + fluidState.setMoleFraction(nPhaseIdx, compIdx, moleFrac[compIdx]); + } // calculate the composition of the remaining phases (as // well as the densities of all phases). this is the job // of the "ComputeFromReferencePhase" constraint solver ComputeFromReferencePhase::solve(fluidState, paramCache, - nPhaseIdx, + nPhaseIdx, /*setViscosity=*/true, /*setEnthalpy=*/false); } - else if (phasePresence == wPhaseOnly){ - // only the wetting phase is present, i.e. wetting phase - // composition is stored explicitly. - // extract _mass_ fractions in the nonwetting phase + else if (phasePresence == wPhaseOnly) + { + // only the wetting phase is present, i.e. wetting phase + // composition is stored explicitly. + // extract _mass_ fractions in the nonwetting phase Dune::FieldVector<Scalar, numComponents> moleFrac; for (int compIdx=numMajorComponents; compIdx<numComponents; ++compIdx) @@ -319,7 +332,7 @@ public: Scalar sumMoleFracNotWater = 0; for (int compIdx=numMajorComponents; compIdx<numComponents; ++compIdx) { - sumMoleFracNotWater+=moleFrac[compIdx]; + sumMoleFracNotWater+=moleFrac[compIdx]; } sumMoleFracNotWater += moleFrac[nCompIdx]; moleFrac[wCompIdx] = 1 -sumMoleFracNotWater; @@ -373,13 +386,7 @@ public: * \param phaseIdx The phase index */ Scalar density(int phaseIdx) const - { - if (phaseIdx < numPhases) - return fluidState_.density(phaseIdx); - - else - DUNE_THROW(Dune::InvalidStateException, "Invalid phase index " << phaseIdx); - } + { return fluidState_.density(phaseIdx); } /*! * \brief Returns the mass density of a given phase within the @@ -388,13 +395,7 @@ public: * \param phaseIdx The phase index */ Scalar molarDensity(int phaseIdx) const - { - if (phaseIdx < numPhases) - return fluidState_.molarDensity(phaseIdx); - - else - DUNE_THROW(Dune::InvalidStateException, "Invalid phase index " << phaseIdx); - } + { return fluidState_.molarDensity(phaseIdx); } /*! * \brief Returns the effective pressure of a given phase within @@ -403,9 +404,7 @@ public: * \param phaseIdx The phase index */ Scalar pressure(int phaseIdx) const - { - return fluidState_.pressure(phaseIdx); - } + { return fluidState_.pressure(phaseIdx); } /*! * \brief Returns temperature inside the sub-control volume. @@ -424,9 +423,7 @@ public: * \param phaseIdx The phase index */ Scalar mobility(int phaseIdx) const - { - return mobility_[phaseIdx]; - } + { return mobility_[phaseIdx]; } /*! * \brief Returns the effective capillary pressure within the control volume @@ -441,7 +438,6 @@ public: Scalar porosity() const { return porosity_; } - /*! * \brief Returns the binary diffusion coefficients for a phase in \f$[m^2/s]\f$. */ @@ -449,12 +445,12 @@ public: { return diffCoeff_[phaseIdx][compIdx]; } /*! - * \brief Returns the molarity of a component in the phase + * \brief Returns the molarity of a component in the phase \f$ moles/m^3 \f$ * * \param phaseIdx the index of the fluid phase * \param compIdx the index of the component */ - Scalar molarity(int phaseIdx, int compIdx) const // [moles/m^3] + Scalar molarity(int phaseIdx, int compIdx) const { return this->fluidState_.molarity(phaseIdx, compIdx);} /*! @@ -464,9 +460,7 @@ public: * \param compIdx the index of the component */ Scalar massFraction(int phaseIdx, int compIdx) const - { - return this->fluidState_.massFraction(phaseIdx, compIdx); - } + { return this->fluidState_.massFraction(phaseIdx, compIdx); } /*! * \brief Returns the mole fraction of a component in the phase @@ -475,12 +469,9 @@ public: * \param compIdx the index of the component */ Scalar moleFraction(int phaseIdx, int compIdx) const - { - return this->fluidState_.moleFraction(phaseIdx, compIdx); - } + { return this->fluidState_.moleFraction(phaseIdx, compIdx); } protected: - static Scalar temperature_(const PrimaryVariables &priVars, const Problem& problem, const Element &element, @@ -499,8 +490,8 @@ protected: } /*! - * \brief Called by update() to compute the energy related quantities - */ + * \brief Called by update() to compute the energy related quantities + */ void updateEnergy_(const PrimaryVariables &priVars, const Problem &problem, const Element &element, @@ -509,8 +500,8 @@ protected: bool isOldSol) { }; - Scalar porosity_; //!< Effective porosity within the control volume - Scalar mobility_[numPhases]; //!< Effective mobility within the control volume + Scalar porosity_; //!< Effective porosity within the control volume + Scalar mobility_[numPhases]; //!< Effective mobility within the control volume Scalar density_; FluidState fluidState_; Scalar theta_; @@ -524,7 +515,6 @@ private: const Implementation &asImp_() const { return *static_cast<const Implementation*>(this); } - }; } // end namespace diff --git a/dumux/porousmediumflow/2pncmin/implicit/model.hh b/dumux/porousmediumflow/2pncmin/implicit/model.hh index 3f20df868d2ed564d5aebfa1c26e913ef0ba7775..a4d52f87911ff3e842708fd7141a734937c82674 100644 --- a/dumux/porousmediumflow/2pncmin/implicit/model.hh +++ b/dumux/porousmediumflow/2pncmin/implicit/model.hh @@ -201,17 +201,22 @@ public: ScalarField *permeabilityFactor = writer.allocateManagedBuffer (numDofs); ScalarField *precipitateVolumeFraction[numSPhases]; - for (int i = 0; i < numSPhases; ++i) - precipitateVolumeFraction[i] = writer.allocateManagedBuffer(numDofs); + for (int sPhaseIdx = 0; sPhaseIdx < numSPhases; ++sPhaseIdx) + precipitateVolumeFraction[sPhaseIdx] = writer.allocateManagedBuffer(numDofs); ScalarField *massFraction[numPhases][numComponents]; - for (int i = 0; i < numPhases; ++i) - for (int j = 0; j < numComponents; ++j) - massFraction[i][j] = writer.allocateManagedBuffer(numDofs); + for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) + for (int compIdx = 0; compIdx < numComponents; ++compIdx) + massFraction[phaseIdx][compIdx] = writer.allocateManagedBuffer(numDofs); + + ScalarField *moleFraction[numPhases][numComponents]; + for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) + for (int compIdx = 0; compIdx < numComponents; ++compIdx) + moleFraction[phaseIdx][compIdx] = writer.allocateManagedBuffer(numDofs); ScalarField *molarity[numComponents]; - for (int j = 0; j < numComponents ; ++j) - molarity[j] = writer.allocateManagedBuffer(numDofs); + for (int compIdx = 0; compIdx < numComponents; ++compIdx) + molarity[compIdx] = writer.allocateManagedBuffer(numDofs); ScalarField *Perm[dim]; for (int j = 0; j < dim; ++j) //Permeability only in main directions xx and yy @@ -273,12 +278,16 @@ public: for (int compIdx = 0; compIdx < numComponents; ++compIdx) (*massFraction[phaseIdx][compIdx])[dofIdxGlobal]= elemVolVars[scvIdx].massFraction(phaseIdx,compIdx); + for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) + for (int compIdx = 0; compIdx < numComponents; ++compIdx) + (*moleFraction[phaseIdx][compIdx])[dofIdxGlobal]= elemVolVars[scvIdx].moleFraction(phaseIdx,compIdx); + for (int compIdx = 0; compIdx < numComponents; ++compIdx) (*molarity[compIdx])[dofIdxGlobal] = (elemVolVars[scvIdx].molarity(wPhaseIdx, compIdx)); Tensor K = this->perm_(this->problem_().spatialParams().intrinsicPermeability(element, fvGeometry, scvIdx)); - for (int j = 0; j<dim; ++j) + for (int j = 0; j < dim; ++j) (*Perm[j])[dofIdxGlobal] = K[j][j] * elemVolVars[scvIdx].permeabilityFactor(); }; @@ -316,21 +325,31 @@ public: if (dim == 3) writer.attachDofData(*Perm[2], "Kzz", isBox); - for (int i = 0; i < numPhases; ++i) + for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) + { + for (int compIdx = 0; compIdx < numComponents; ++compIdx) + { + std::ostringstream oss; + oss << "X_" << FluidSystem::phaseName(phaseIdx) << "^" << FluidSystem::componentName(compIdx); + writer.attachDofData(*massFraction[phaseIdx][compIdx], oss.str(), isBox); + } + } + + for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) { - for (int j = 0; j < numComponents; ++j) + for (int compIdx = 0; compIdx < numComponents; ++compIdx) { std::ostringstream oss; - oss << "X^" << FluidSystem::phaseName(i) << "_" << FluidSystem::componentName(j); - writer.attachDofData(*massFraction[i][j], oss.str(), isBox); + oss << "x_" << FluidSystem::phaseName(phaseIdx) << "^" << FluidSystem::componentName(compIdx); + writer.attachDofData(*moleFraction[phaseIdx][compIdx], oss.str(), isBox); } } - for (int j = 0; j < numComponents; ++j) + for (int compIdx = 0; compIdx < numComponents; ++compIdx) { std::ostringstream oss; - oss << "m^w_" << FluidSystem::componentName(j); - writer.attachDofData(*molarity[j], oss.str(), isBox); + oss << "m_" << FluidSystem::phaseName(wPhaseIdx) << "^" << FluidSystem::componentName(compIdx); + writer.attachDofData(*molarity[compIdx], oss.str(), isBox); } if (velocityOutput.enableOutput()) // check if velocity output is demanded diff --git a/dumux/porousmediumflow/2pncmin/implicit/volumevariables.hh b/dumux/porousmediumflow/2pncmin/implicit/volumevariables.hh index c8d9e1605bcdffb155da85af96fd50363f41d4df..ddc8f86a28efa08d87b5a8b539855028d4a645f9 100644 --- a/dumux/porousmediumflow/2pncmin/implicit/volumevariables.hh +++ b/dumux/porousmediumflow/2pncmin/implicit/volumevariables.hh @@ -440,10 +440,8 @@ public: { if (phaseIdx < numPhases) return this->fluidState_.density(phaseIdx); - else if (phaseIdx >= numPhases) - return FluidSystem::precipitateDensity(phaseIdx); else - DUNE_THROW(Dune::InvalidStateException, "Invalid phase index " << phaseIdx); + return FluidSystem::precipitateDensity(phaseIdx); } /*! * \brief Returns the mass density of a given phase within the @@ -455,10 +453,8 @@ public: { if (phaseIdx < numPhases) return this->fluidState_.molarDensity(phaseIdx); - else if (phaseIdx >= numPhases) - return FluidSystem::precipitateMolarDensity(phaseIdx); else - DUNE_THROW(Dune::InvalidStateException, "Invalid phase index " << phaseIdx); + return FluidSystem::precipitateMolarDensity(phaseIdx); } /*! diff --git a/test/references/fuelcell2pncbox-reference.vtu b/test/references/fuelcell2pncbox-reference.vtu index 51349dfa14bf560ec3dcdf083b9860edafb5c54e..4b62fa46f0d10f730e7f34c3aac0eda6351d213f 100644 --- a/test/references/fuelcell2pncbox-reference.vtu +++ b/test/references/fuelcell2pncbox-reference.vtu @@ -168,6 +168,21 @@ 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="phasePresence" NumberOfComponents="1" format="ascii"> + 3 3 3 3 3 3 3 3 3 3 3 3 + 3 3 3 3 3 3 3 3 3 3 3 3 + 3 3 3 3 3 3 3 3 3 3 3 3 + 3 3 3 3 3 3 3 3 3 3 3 3 + 3 3 3 3 3 3 3 3 3 3 3 3 + 3 3 3 3 3 3 3 3 3 3 3 3 + 3 3 3 3 3 3 3 3 3 3 3 3 + 3 3 3 3 3 3 3 3 3 3 3 3 + 3 3 3 3 3 3 3 3 3 3 3 3 + 3 3 3 3 3 3 3 3 3 3 3 3 + 3 3 3 3 3 3 3 3 3 3 3 3 + 3 3 3 3 3 3 3 3 3 3 3 3 + 3 3 3 3 3 3 3 3 3 3 + </DataArray> <DataArray type="Float32" Name="Kxx" NumberOfComponents="1" format="ascii"> 5e-11 5e-11 5e-11 5e-11 5e-11 5e-11 5e-11 5e-11 5e-11 5e-11 5e-11 5e-11 5e-11 5e-11 5e-11 5e-11 5e-11 5e-11 5e-11 5e-11 5e-11 5e-11 5e-11 5e-11 @@ -198,7 +213,7 @@ 5e-11 5e-11 5e-11 5e-11 5e-11 5e-11 5e-11 5e-11 5e-11 5e-11 5e-11 5e-11 5e-11 5e-11 5e-11 5e-11 5e-11 5e-11 5e-11 5e-11 5e-11 5e-11 </DataArray> - <DataArray type="Float32" Name="xH2Ol" NumberOfComponents="1" format="ascii"> + <DataArray type="Float32" Name="x_l^H2O" NumberOfComponents="1" format="ascii"> 0.999989 0.999989 0.999988 0.999988 0.999989 0.999988 0.999989 0.999988 0.999989 0.999988 0.999989 0.999988 0.999989 0.999988 0.999989 0.999988 0.999989 0.999988 0.999989 0.999988 0.999989 0.999988 0.999989 0.999988 0.999989 0.999988 0.999989 0.999988 0.999989 0.999988 0.999989 0.999988 0.999989 0.999988 0.999989 0.999988 @@ -213,7 +228,7 @@ 0.999987 0.999987 0.999987 0.999987 0.999987 0.999987 0.999987 0.999987 0.999987 0.999987 0.999987 0.999987 0.999987 0.999987 0.999987 0.999987 0.999987 0.999987 0.999987 0.999987 0.999987 0.999987 </DataArray> - <DataArray type="Float32" Name="xN2l" NumberOfComponents="1" format="ascii"> + <DataArray type="Float32" Name="x_l^N2" NumberOfComponents="1" format="ascii"> 7.16836e-06 7.16836e-06 6.91411e-06 6.91411e-06 7.16836e-06 6.91411e-06 7.16836e-06 6.91411e-06 7.16836e-06 6.91411e-06 7.16836e-06 6.91411e-06 7.16836e-06 6.91411e-06 7.16836e-06 6.91411e-06 7.16836e-06 6.91411e-06 7.16836e-06 6.91411e-06 7.16836e-06 6.91411e-06 7.16836e-06 6.91411e-06 7.16836e-06 6.91411e-06 7.16836e-06 6.91411e-06 7.16836e-06 6.91411e-06 7.16836e-06 6.91411e-06 7.16836e-06 6.91411e-06 7.16836e-06 6.91411e-06 @@ -228,7 +243,7 @@ 5.77192e-06 5.77192e-06 5.77192e-06 5.77192e-06 5.77192e-06 5.77192e-06 5.77192e-06 5.77192e-06 5.77192e-06 5.77192e-06 5.77192e-06 5.77192e-06 5.77192e-06 5.77192e-06 5.77192e-06 5.77192e-06 5.77192e-06 5.77192e-06 5.77192e-06 5.77192e-06 5.77192e-06 5.77192e-06 </DataArray> - <DataArray type="Float32" Name="xO2l" NumberOfComponents="1" format="ascii"> + <DataArray type="Float32" Name="x_l^O2" NumberOfComponents="1" format="ascii"> 4.30013e-06 4.30013e-06 4.78305e-06 4.78305e-06 4.30013e-06 4.78305e-06 4.30013e-06 4.78305e-06 4.30013e-06 4.78305e-06 4.30013e-06 4.78305e-06 4.30013e-06 4.78305e-06 4.30013e-06 4.78305e-06 4.30013e-06 4.78305e-06 4.30013e-06 4.78305e-06 4.30013e-06 4.78305e-06 4.30013e-06 4.78305e-06 4.30013e-06 4.78305e-06 4.30013e-06 4.78305e-06 4.30013e-06 4.78305e-06 4.30013e-06 4.78305e-06 4.30013e-06 4.78305e-06 4.30013e-06 4.78305e-06 @@ -243,7 +258,7 @@ 6.95249e-06 6.95249e-06 6.95249e-06 6.95249e-06 6.95249e-06 6.95249e-06 6.95249e-06 6.95249e-06 6.95249e-06 6.95249e-06 6.95249e-06 6.95249e-06 6.95249e-06 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