[tests][1pnc] add new maxwellstefan tests for 3 components with varying

molar masses of the components.

test/porousmediumflow/1pnc/implicit/1p3c/CMakeLists.txt

+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")

test/porousmediumflow/1pnc/implicit/1p3c/main.cc

+// -*- 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 <http://www.gnu.org/licenses/>.   *
+ *****************************************************************************/
+/*!
+ * \file
+ * \ingroup OnePNCTests
+ * \brief Test for the 1pnc model
+ */
+
+#include <config.h>
+
+#include <ctime>
+#include <iostream>
+
+#include <dune/common/parallel/mpihelper.hh>
+#include <dune/common/timer.hh>
+#include <dune/grid/io/file/dgfparser/dgfexception.hh>
+#include <dune/grid/io/file/vtk.hh>
+#include <dune/istl/io.hh>
+
+#include <dumux/discretization/method.hh>
+
+#include <dumux/common/properties.hh>
+#include <dumux/common/parameters.hh>
+#include <dumux/common/dumuxmessage.hh>
+#include <dumux/common/defaultusagemessage.hh>
+
+#include <dumux/linear/seqsolverbackend.hh>
+#include <dumux/nonlinear/newtonsolver.hh>
+
+#include <dumux/assembly/fvassembler.hh>
+
+#include <dumux/io/vtkoutputmodule.hh>
+#include <dumux/io/grid/gridmanager.hh>
+
+#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<GetPropType<TypeTag, Properties::Grid>> 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<TypeTag, Properties::FVGridGeometry>;
+    auto fvGridGeometry = std::make_shared<FVGridGeometry>(leafGridView);
+    fvGridGeometry->update();
+
+    // the problem (initial and boundary conditions)
+    using Problem = GetPropType<TypeTag, Properties::Problem>;
+    auto problem = std::make_shared<Problem>(fvGridGeometry);
+
+    // the solution vector
+    using SolutionVector = GetPropType<TypeTag, Properties::SolutionVector>;
+    SolutionVector x(fvGridGeometry->numDofs());
+    problem->applyInitialSolution(x);
+    auto xOld = x;
+
+    // the grid variables
+    using GridVariables = GetPropType<TypeTag, Properties::GridVariables>;
+    auto gridVariables = std::make_shared<GridVariables>(problem, fvGridGeometry);
+    gridVariables->init(x);
+
+    // get some time loop parameters
+    using Scalar = GetPropType<TypeTag, Properties::Scalar>;
+    auto tEnd = getParam<Scalar>("TimeLoop.TEnd");
+    auto dt = getParam<Scalar>("TimeLoop.DtInitial");
+    auto maxDt = getParam<Scalar>("TimeLoop.MaxTimeStepSize");
+
+    // intialize the vtk output module
+    VtkOutputModule<GridVariables, SolutionVector> vtkWriter(*gridVariables, x, problem->name());
+    using VelocityOutput = GetPropType<TypeTag, Properties::VelocityOutput>;
+    vtkWriter.addVelocityOutput(std::make_shared<VelocityOutput>(*gridVariables));
+    using IOFields = GetPropType<TypeTag, Properties::IOFields>;
+    IOFields::initOutputModule(vtkWriter); // Add model specific output fields
+    vtkWriter.write(0.0);
+
+    // instantiate time loop
+    auto timeLoop = std::make_shared<TimeLoop<Scalar>>(0.0, dt, tEnd);
+    timeLoop->setMaxTimeStepSize(maxDt);
+
+    // the assembler with time loop for instationary problem
+    using Assembler = FVAssembler<TypeTag, DiffMethod::numeric>;
+    auto assembler = std::make_shared<Assembler>(problem, fvGridGeometry, gridVariables, timeLoop);
+
+    // the linear solver
+    using LinearSolver = ILU0BiCGSTABBackend;
+    auto linearSolver = std::make_shared<LinearSolver>();
+
+    // the non-linear solver
+    NewtonSolver<Assembler, LinearSolver> 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;
+}

test/porousmediumflow/1pnc/implicit/1p3c/params.input

+[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
+

test/porousmediumflow/1pnc/implicit/1p3c/problem.hh

+// -*- 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 <http://www.gnu.org/licenses/>.   *
+ *****************************************************************************/
+/**
+ * \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 <dune/grid/uggrid.hh>
+#endif
+#include <dune/grid/yaspgrid.hh>
+
+#include <dumux/discretization/cctpfa.hh>
+#include <dumux/discretization/box.hh>
+#include <dumux/discretization/evalsolution.hh>
+#include <dumux/discretization/evalgradients.hh>
+#include <dumux/porousmediumflow/1pnc/model.hh>
+#include <dumux/porousmediumflow/problem.hh>
+
+#include <dumux/material/idealgas.hh>
+#include <dumux/material/fluidsystems/base.hh>
+
+#include "../1p2c/spatialparams.hh"
+
+#include <dumux/io/gnuplotinterface.hh>
+#include <dumux/flux/maxwellstefanslaw.hh>
+
+namespace Dumux {
+
+template <class TypeTag>
+class MaxwellStefanOnePThreeCTestProblem;
+
+namespace Properties {
+
+// Create new type tags
+namespace TTag {
+struct MaxwellStefanOnePThreeCTest { using InheritsFrom = std::tuple<OnePNC>; };
+struct MaxwellStefanOnePThreeCTestBox { using InheritsFrom = std::tuple<MaxwellStefanOnePThreeCTest, BoxModel>; };
+struct MaxwellStefanOnePThreeCTestCCTpfa { using InheritsFrom = std::tuple<MaxwellStefanOnePThreeCTest, CCTpfaModel>; };
+} // end namespace TTag
+
+// Set the grid type
+#if HAVE_UG
+template<class TypeTag>
+struct Grid<TypeTag, TTag::MaxwellStefanOnePThreeCTest> { using type = Dune::UGGrid<2>; };
+#else
+template<class TypeTag>
+struct Grid<TypeTag, TTag::MaxwellStefanOnePThreeCTest> { using type = Dune::YaspGrid<2>; };
+#endif
+
+// Set the problem property
+template<class TypeTag>
+struct Problem<TypeTag, TTag::MaxwellStefanOnePThreeCTest> { using type = MaxwellStefanOnePThreeCTestProblem<TypeTag>; };
+
+/*!
+ * \ingroup NavierStokesNCTests
+ * \brief  A simple fluid system with three components for testing the  multi-component diffusion with the Maxwell-Stefan formulation.
+ */
+template<class TypeTag>
+class H2N2CO2FluidSystem
+: public FluidSystems::Base<GetPropType<TypeTag, Properties::Scalar>, H2N2CO2FluidSystem<TypeTag>>
+
+{
+    using Scalar = GetPropType<TypeTag, Properties::Scalar>;
+    using ThisType = H2N2CO2FluidSystem<TypeTag>;
+    using Base = FluidSystems::Base<Scalar, ThisType>;
+    using IdealGas = Dumux::IdealGas<Scalar>;
+
+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 <class FluidState>
+    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 <class FluidState>
+    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 <class FluidState>
+    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 <class FluidState>
+    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<class TypeTag>
+struct FluidSystem<TypeTag, TTag::MaxwellStefanOnePThreeCTest>
+{using type = H2N2CO2FluidSystem<TypeTag>; };
+
+// Set the spatial parameters
+template<class TypeTag>
+struct SpatialParams<TypeTag, TTag::MaxwellStefanOnePThreeCTest>
+{
+    using FVGridGeometry = GetPropType<TypeTag, Properties::FVGridGeometry>;
+    using Scalar = GetPropType<TypeTag, Properties::Scalar>;
+    using type = OnePNCTestSpatialParams<FVGridGeometry, Scalar>;
+};
+
+// Define whether mole(true) or mass (false) fractions are used
+template<class TypeTag>
+struct UseMoles<TypeTag, TTag::MaxwellStefanOnePThreeCTest> { static constexpr bool value = true; };
+
+//! Here we set FicksLaw or MaxwellStefansLaw
+template<class TypeTag>
+struct MolecularDiffusionType<TypeTag, TTag::MaxwellStefanOnePThreeCTest> { using type = MaxwellStefansLaw<TypeTag>; };
+}
+
+/*!
+ * \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:
+ * <tt>./test_box1pnc -parameterFile ./test_box1pnc.input</tt> or
+ * <tt>./test_cc1pnc -parameterFile ./test_cc1pnc.input</tt>
+ */
+template <class TypeTag>
+class MaxwellStefanOnePThreeCTestProblem : public PorousMediumFlowProblem<TypeTag>
+{
+    using ParentType = PorousMediumFlowProblem<TypeTag>;
+
+    using Scalar = GetPropType<TypeTag, Properties::Scalar>;
+    using Indices = typename GetPropType<TypeTag, Properties::ModelTraits>::Indices;
+    using GridView = GetPropType<TypeTag, Properties::GridView>;
+    using BoundaryTypes = GetPropType<TypeTag, Properties::BoundaryTypes>;
+    using PrimaryVariables = GetPropType<TypeTag, Properties::PrimaryVariables>;
+    using NumEqVector = GetPropType<TypeTag, Properties::NumEqVector>;
+    using FluidSystem = GetPropType<TypeTag, Properties::FluidSystem>;
+    using FVGridGeometry = GetPropType<TypeTag, Properties::FVGridGeometry>;
+    using SolutionVector = GetPropType<TypeTag, Properties::SolutionVector>;
+    using VolumeVariables = GetPropType<TypeTag, Properties::VolumeVariables>;
+
+    //! property that defines whether mole or mass fractions are used
+    static constexpr bool useMoles = getPropValue<TypeTag, Properties::UseMoles>();
+
+    using Element = typename FVGridGeometry::GridView::template Codim<0>::Entity;
+    using GlobalPosition = typename Element::Geometry::GlobalCoordinate;
+
+public:
+    MaxwellStefanOnePThreeCTestProblem(std::shared_ptr<const FVGridGeometry> fvGridGeometry)
+    : ParentType(fvGridGeometry)
+    {
+        name_ = getParam<std::string>("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<double> gnuplot_;
+    Dumux::GnuplotInterface<double> gnuplot2_;
+    Dumux::GnuplotInterface<double> gnuplot3_;
+
+    std::vector<double> x_;
+    std::vector<double> y_;
+    std::vector<double> y2_;
+    std::vector<double> y3_;
+    std::vector<double> y4_;
+    std::vector<double> y5_;
+    std::vector<double> y6_;
+
+    bool plotOutput_;
+};
+
+} // end namespace Dumux
+
+#endif

test/porousmediumflow/1pnc/implicit/CMakeLists.txt

 add_subdirectory(1p2c)
 add_subdirectory(nonequilibrium)
+add_subdirectory(1p3c)