[fix] adapt to changes in next and use compositional localresidual instead of own

dumux/porousmediumflow/3p3c/implicit/model.hh

@@ -164,11 +164,15 @@ public:
         vtkOutputModule.addSecondaryVariable("rhon", [](const VolumeVariables& v){ return v.density(nPhaseIdx); });
         vtkOutputModule.addSecondaryVariable("rhog", [](const VolumeVariables& v){ return v.density(gPhaseIdx); });
 
+
         for (int i = 0; i < numPhases; ++i)
             for (int j = 0; j < numComponents; ++j)
                 vtkOutputModule.addSecondaryVariable("x^" + FluidSystem::componentName(j) + "_" + FluidSystem::phaseName(i),
                                                      [i,j](const VolumeVariables& v){ return v.moleFraction(i,j); });
 
+        vtkOutputModule.addSecondaryVariable("porosity", [](const VolumeVariables& v){ return v.porosity(); });
+        vtkOutputModule.addSecondaryVariable("permeability",
+                                             [](const VolumeVariables& v){ return v.permeability(); });
         vtkOutputModule.addSecondaryVariable("temperature", [](const VolumeVariables& v){ return v.temperature(); });
     }
 

dumux/porousmediumflow/3p3c/implicit/properties.hh

@@ -73,6 +73,8 @@ NEW_PROP_TAG(ProblemEnableGravity); //!< Returns whether gravity is considered i
 NEW_PROP_TAG(UseConstraintSolver); //!< Determines whether a constraint solver should be used explicitly
 NEW_PROP_TAG(SpatialParamsForchCoeff); //!< Property for the forchheimer coefficient
 NEW_PROP_TAG(TauTortuosity); //!< Tortuosity value (tau) used in macroscopic diffusion
+NEW_PROP_TAG(UseMoles);//!< Defines whether mole (true) or mass (false) fractions are used
+NEW_PROP_TAG(ReplaceCompEqIdx); //!< The index of the total mass balance equation, if one component balance is replaced (ReplaceCompEqIdx < NumComponents)
 }
 }
 

dumux/porousmediumflow/3p3c/implicit/propertydefaults.hh

@@ -34,10 +34,11 @@
 #include "volumevariables.hh"
 #include "properties.hh"
 #include "newtoncontroller.hh"
-#include "localresidual.hh"
 #include "primaryvariableswitch.hh"
+//#include "localresidual.hh"
 
 #include <dumux/porousmediumflow/compositional/switchableprimaryvariables.hh>
+#include <dumux/porousmediumflow/compositional/localresidual.hh>
 #include <dumux/porousmediumflow/nonisothermal/implicit/propertydefaults.hh>
 #include <dumux/material/fluidmatrixinteractions/diffusivitymillingtonquirk.hh>
 #include <dumux/porousmediumflow/implicit/darcyfluxvariables.hh>
@@ -87,6 +88,8 @@ SET_PROP(ThreePThreeC, NumPhases)
                   "Only fluid systems with 3 phases are supported by the 3p3c model!");
 };
 
+//! Set as default that no component mass balance is replaced by the total mass balance
+SET_INT_PROP(ThreePThreeC, ReplaceCompEqIdx, 100);
 /*!
  * \brief The fluid state which is used by the volume variables to
  *        store the thermodynamic state. This should be chosen
@@ -110,7 +113,7 @@ SET_INT_PROP(ThreePThreeC, NumEq, 3); //!< set the number of equations to 2
 SET_TYPE_PROP(ThreePThreeC, MaterialLawParams, typename GET_PROP_TYPE(TypeTag, MaterialLaw)::Params);
 
 //! The local residual function of the conservation equations
-SET_TYPE_PROP(ThreePThreeC, LocalResidual, ThreePThreeCLocalResidual<TypeTag>);
+SET_TYPE_PROP(ThreePThreeC, LocalResidual, CompositionalLocalResidual<TypeTag>);
 
 //! Enable advection
 SET_BOOL_PROP(ThreePThreeC, EnableAdvection, true);
@@ -174,6 +177,9 @@ SET_SCALAR_PROP(BoxModel, SpatialParamsForchCoeff, 0.55);
  */
 SET_SCALAR_PROP(ThreePThreeC, TauTortuosity, 0.5);
 
+//! Use mole fractions in the balance equations by default
+SET_BOOL_PROP(ThreePThreeC, UseMoles, true);
+
 //! Somerton is used as default model to compute the effective thermal heat conductivity
 SET_PROP(ThreePThreeCNI, ThermalConductivityModel)
 {
@@ -198,7 +204,7 @@ SET_TYPE_PROP(ThreePThreeCNI, IsothermalModel, ThreePThreeCModel<TypeTag>);
 SET_TYPE_PROP(ThreePThreeCNI, IsothermalVolumeVariables, ThreePThreeCVolumeVariables<TypeTag>);
 
 //set isothermal LocalResidual
-SET_TYPE_PROP(ThreePThreeCNI, IsothermalLocalResidual, ThreePThreeCLocalResidual<TypeTag>);
+SET_TYPE_PROP(ThreePThreeCNI, IsothermalLocalResidual, CompositionalLocalResidual<TypeTag>);
 
 //set isothermal Indices
 SET_PROP(ThreePThreeCNI, IsothermalIndices)

dumux/porousmediumflow/3p3c/implicit/volumevariables.hh

@@ -49,6 +49,8 @@ class ThreePThreeCVolumeVariables : public ImplicitVolumeVariables<TypeTag>
     using Scalar = typename GET_PROP_TYPE(TypeTag, Scalar);
     using GridView = typename GET_PROP_TYPE(TypeTag, GridView);
     using Problem = typename GET_PROP_TYPE(TypeTag, Problem);
+    using SpatialParams = typename GET_PROP_TYPE(TypeTag, SpatialParams);
+    using PermeabilityType = typename SpatialParams::PermeabilityType;
     using Model = typename GET_PROP_TYPE(TypeTag, Model);
     using FVElementGeometry = typename GET_PROP_TYPE(TypeTag, FVElementGeometry);
     using SubControlVolume = typename GET_PROP_TYPE(TypeTag, SubControlVolume);
@@ -56,6 +58,7 @@ class ThreePThreeCVolumeVariables : public ImplicitVolumeVariables<TypeTag>
     using FluidSystem = typename GET_PROP_TYPE(TypeTag, FluidSystem);
     using MaterialLaw = typename GET_PROP_TYPE(TypeTag, MaterialLaw);
     using MaterialLawParams = typename GET_PROP_TYPE(TypeTag, MaterialLawParams);
+    using ElementSolutionVector = typename GET_PROP_TYPE(TypeTag, ElementSolutionVector);
 
     // constraint solvers
     using SpatialParams = typename GET_PROP_TYPE(TypeTag, SpatialParams);
@@ -122,6 +125,7 @@ public:
         const MaterialLawParams &materialParams =
             problem.spatialParams().materialLawParams(element, scv, elemSol);
 
+
         Scalar temp = ParentType::temperature(elemSol, problem, element, scv);
         fluidState_.setTemperature(temp);
 
@@ -664,6 +668,12 @@ public:
     Scalar bulkDensTimesAdsorpCoeff() const
     { return bulkDensTimesAdsorpCoeff_; }
 
+        /*!
+     * \brief Returns the average permeability within the control volume in \f$[m^2]\f$.
+     */
+    const PermeabilityType& permeability() const
+    { return permeability_; }
+
     /*!
      * \brief Returns the average permeability within the control volume in \f$[m^2]\f$.
      */
@@ -691,7 +701,7 @@ protected:
     Scalar massFrac_[numPhases][numComponents];
 
     Scalar porosity_;        //!< Effective porosity within the control volume
-    PermeabilityType permeability_; //!< Effective permeability within the control volume
+    PermeabilityType permeability_; //!> Effective permeability within the control volume
     Scalar mobility_[numPhases];  //!< Effective mobility within the control volume
     Scalar bulkDensTimesAdsorpCoeff_; //!< the basis for calculating adsorbed NAPL
     FluidState fluidState_;
@@ -703,6 +713,8 @@ private:
             diffCoefficient_[phaseIdx][compIdx] = std::move(d);
         else if (compIdx > phaseIdx)
             diffCoefficient_[phaseIdx][compIdx-1] = std::move(d);
+        else if (phaseIdx == nPhaseIdx)
+            diffCoefficient_[phaseIdx][compIdx-1] = 0;
         else
             DUNE_THROW(Dune::InvalidStateException, "Diffusion coeffiecient for phaseIdx = compIdx doesn't exist");
     }