ThermalTwoPhaseFlowWithPPLocalAssembler-impl.h

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// SPDX-FileCopyrightText: Copyright (c) OpenGeoSys Community (opengeosys.org)
// SPDX-License-Identifier: BSD-3-Clause
 
#pragma once
 
#include "MaterialLib/MPL/Medium.h"
#include "MaterialLib/MPL/Phase.h"
#include "MaterialLib/MPL/Property.h"
#include "MaterialLib/MPL/Utils/FormEffectiveThermalConductivity.h"
#include "MaterialLib/MPL/Utils/FormEigenTensor.h"
#include "MathLib/InterpolationAlgorithms/PiecewiseLinearInterpolation.h"
#include "NumLib/Fem/Interpolation.h"
#include "ThermalTwoPhaseFlowWithPPLocalAssembler.h"
#include "ThermalTwoPhaseFlowWithPPProcessData.h"
 
namespace ProcessLib
{
namespace ThermalTwoPhaseFlowWithPP
{
template <typename ShapeFunction, int GlobalDim>
void ThermalTwoPhaseFlowWithPPLocalAssembler<ShapeFunction, GlobalDim>::
    assemble(double const t, double const dt,
             std::vector<double> const& local_x,
             std::vector<double> const& /*local_x_prev*/,
             std::vector<double>& local_M_data,
             std::vector<double>& local_K_data,
             std::vector<double>& local_b_data)
{
    using MaterialLib::PhysicalConstant::CelsiusZeroInKelvin;
    using MaterialLib::PhysicalConstant::IdealGasConstant;
 
    auto const local_matrix_size = local_x.size();
 
    assert(local_matrix_size == ShapeFunction::NPOINTS * NUM_NODAL_DOF);
 
    auto local_M = MathLib::createZeroedMatrix<LocalMatrixType>(
        local_M_data, local_matrix_size, local_matrix_size);
    auto local_K = MathLib::createZeroedMatrix<LocalMatrixType>(
        local_K_data, local_matrix_size, local_matrix_size);
    auto local_b = MathLib::createZeroedVector<LocalVectorType>(
        local_b_data, local_matrix_size);
 
    auto Map =
        local_M.template block<nonwet_pressure_size, nonwet_pressure_size>(
            nonwet_pressure_matrix_index, nonwet_pressure_matrix_index);
    auto Mapc = local_M.template block<nonwet_pressure_size, cap_pressure_size>(
        nonwet_pressure_matrix_index, cap_pressure_matrix_index);
    auto Max = local_M.template block<nonwet_pressure_size, contaminant_size>(
        nonwet_pressure_matrix_index, contaminant_matrix_index);
    auto Mat = local_M.template block<nonwet_pressure_size, temperature_size>(
        nonwet_pressure_matrix_index, temperature_matrix_index);
 
    auto Mwp = local_M.template block<cap_pressure_size, nonwet_pressure_size>(
        cap_pressure_matrix_index, nonwet_pressure_matrix_index);
    auto Mwpc = local_M.template block<cap_pressure_size, cap_pressure_size>(
        cap_pressure_matrix_index, cap_pressure_matrix_index);
    auto Mwx = local_M.template block<cap_pressure_size, contaminant_size>(
        cap_pressure_matrix_index, contaminant_matrix_index);
    auto Mwt = local_M.template block<cap_pressure_size, temperature_size>(
        cap_pressure_matrix_index, temperature_matrix_index);
 
    auto Mcp = local_M.template block<contaminant_size, nonwet_pressure_size>(
        contaminant_matrix_index, nonwet_pressure_matrix_index);
    auto Mcpc = local_M.template block<contaminant_size, cap_pressure_size>(
        contaminant_matrix_index, cap_pressure_matrix_index);
    auto Mcx = local_M.template block<contaminant_size, contaminant_size>(
        contaminant_matrix_index, contaminant_matrix_index);
    auto Mct = local_M.template block<contaminant_size, temperature_size>(
        contaminant_matrix_index, temperature_matrix_index);
 
    auto Mep = local_M.template block<temperature_size, nonwet_pressure_size>(
        temperature_matrix_index, nonwet_pressure_matrix_index);
    auto Mepc = local_M.template block<temperature_size, cap_pressure_size>(
        temperature_matrix_index, cap_pressure_matrix_index);
    auto Mex = local_M.template block<temperature_size, contaminant_size>(
        temperature_matrix_index, contaminant_matrix_index);
    auto Met = local_M.template block<temperature_size, temperature_size>(
        temperature_matrix_index, temperature_matrix_index);
 
    NodalMatrixType laplace_operator =
        NodalMatrixType::Zero(ShapeFunction::NPOINTS, ShapeFunction::NPOINTS);
 
    auto Kap =
        local_K.template block<nonwet_pressure_size, nonwet_pressure_size>(
            nonwet_pressure_matrix_index, nonwet_pressure_matrix_index);
    auto Kapc = local_K.template block<nonwet_pressure_size, cap_pressure_size>(
        nonwet_pressure_matrix_index, cap_pressure_matrix_index);
    auto Kax = local_K.template block<nonwet_pressure_size, contaminant_size>(
        nonwet_pressure_matrix_index, contaminant_matrix_index);
    auto Kat = local_K.template block<nonwet_pressure_size, temperature_size>(
        nonwet_pressure_matrix_index, temperature_matrix_index);
 
    auto Kwp = local_K.template block<cap_pressure_size, nonwet_pressure_size>(
        cap_pressure_matrix_index, nonwet_pressure_matrix_index);
    auto Kwpc = local_K.template block<cap_pressure_size, cap_pressure_size>(
        cap_pressure_matrix_index, cap_pressure_matrix_index);
    auto Kwx = local_K.template block<cap_pressure_size, contaminant_size>(
        cap_pressure_matrix_index, contaminant_matrix_index);
    auto Kwt = local_K.template block<cap_pressure_size, temperature_size>(
        cap_pressure_matrix_index, temperature_matrix_index);
 
    auto Kcp = local_K.template block<contaminant_size, nonwet_pressure_size>(
        contaminant_matrix_index, nonwet_pressure_matrix_index);
    auto Kcpc = local_K.template block<contaminant_size, cap_pressure_size>(
        contaminant_matrix_index, cap_pressure_matrix_index);
    auto Kcx = local_K.template block<contaminant_size, contaminant_size>(
        contaminant_matrix_index, contaminant_matrix_index);
    auto Kct = local_K.template block<contaminant_size, temperature_size>(
        contaminant_matrix_index, temperature_matrix_index);
 
    auto Kep = local_K.template block<temperature_size, nonwet_pressure_size>(
        temperature_matrix_index, nonwet_pressure_matrix_index);
    auto Kepc = local_K.template block<temperature_size, cap_pressure_size>(
        temperature_matrix_index, cap_pressure_matrix_index);
    auto Ket = local_K.template block<temperature_size, temperature_size>(
        temperature_matrix_index, temperature_matrix_index);
 
    auto Ba = local_b.template segment<nonwet_pressure_size>(
        nonwet_pressure_matrix_index);
    auto Bw =
        local_b.template segment<cap_pressure_size>(cap_pressure_matrix_index);
    auto Bc =
        local_b.template segment<contaminant_size>(contaminant_matrix_index);
    auto Be =
        local_b.template segment<temperature_size>(temperature_matrix_index);
 
    unsigned const n_integration_points =
        _integration_method.getNumberOfPoints();
 
    auto const num_nodes = ShapeFunction::NPOINTS;
    auto const pg_nodal_values =
        Eigen::Map<const NodalVectorType>(&local_x[0], num_nodes);
    auto const pc_nodal_values =
        Eigen::Map<const NodalVectorType>(&local_x[num_nodes], num_nodes);
 
    MaterialPropertyLib::VariableArray vars;
 
    GlobalDimMatrixType const& I(
        GlobalDimMatrixType::Identity(GlobalDim, GlobalDim));
 
    for (unsigned ip = 0; ip < n_integration_points; ip++)
    {
        auto const& ip_data = _ip_data[ip];
        auto const& N = ip_data.N;
        auto const& dNdx = ip_data.dNdx;
        auto const& w = ip_data.integration_weight;
        auto const& mass_operator = ip_data.mass_operator;
        auto const& diffusion_operator = ip_data.diffusion_operator;
        double pg_int_pt = 0.;
        double pc_int_pt = 0.;
        double Xc_int_pt = 0.;
        double T_int_pt = 0.;
        NumLib::shapeFunctionInterpolate(local_x, N, pg_int_pt, pc_int_pt,
                                         Xc_int_pt, T_int_pt);
 
        ParameterLib::SpatialPosition const pos{
            std::nullopt, _element.getID(),
            MathLib::Point3d(NumLib::interpolateCoordinates<ShapeFunction,
                                                            ShapeMatricesType>(
                _element, N))};
 
        _pressure_wetting[ip] = pg_int_pt - pc_int_pt;
        double const ideal_gas_constant_times_T_int_pt =
            IdealGasConstant * T_int_pt;
        vars.temperature = T_int_pt;
        vars.capillary_pressure = pc_int_pt;
        vars.gas_phase_pressure = pg_int_pt;
 
        auto const& medium =
            *_process_data.media_map.getMedium(this->_element.getID());
        auto const& liquid_phase =
            medium.phase(MaterialPropertyLib::PhaseName::AqueousLiquid);
        auto const& solid_phase =
            medium.phase(MaterialPropertyLib::PhaseName::Solid);
        auto const& gas_phase =
            medium.phase(MaterialPropertyLib::PhaseName::Gas);
 
        auto const& water_vapour_component = gas_phase.component("w");
        auto const& dry_air_component = gas_phase.component("a");
        auto const& contaminant_vapour_component = gas_phase.component("c");
        auto const& dissolved_contaminant_component =
            liquid_phase.component("c");
 
        auto const porosity =
            medium.property(MaterialPropertyLib::PropertyType::porosity)
                .template value<double>(vars, pos, t, dt);
 
        auto const water_mol_mass =
            water_vapour_component
                .property(MaterialPropertyLib::PropertyType::molar_mass)
                .template value<double>(vars, pos, t, dt);
        auto const air_mol_mass =
            dry_air_component
                .property(MaterialPropertyLib::PropertyType::molar_mass)
                .template value<double>(vars, pos, t, dt);
        auto const contaminant_mol_mass =
            contaminant_vapour_component
                .property(MaterialPropertyLib::PropertyType::molar_mass)
                .template value<double>(vars, pos, t, dt);
 
        double const Sw =
            medium.property(MaterialPropertyLib::PropertyType::saturation)
                .template value<double>(vars, pos, t, dt);
 
        _saturation[ip] = Sw;
        vars.liquid_saturation = Sw;
 
        double const dSw_dpc =
            medium.property(MaterialPropertyLib::PropertyType::saturation)
                .template dValue<double>(
                    vars, MaterialPropertyLib::Variable::capillary_pressure,
                    pos, t, dt);
 
        auto const density_water =
            liquid_phase.property(MaterialPropertyLib::PropertyType::density)
                .template value<double>(vars, pos, t, dt);
 
        // molar densities and derivatives
        double const mol_density_water = density_water / water_mol_mass;
        double const mol_density_wet = mol_density_water;
 
        double const mol_density_nonwet =
            pg_int_pt / ideal_gas_constant_times_T_int_pt;
        double const mol_density_tot =
            Sw * mol_density_wet + (1 - Sw) * mol_density_nonwet;
 
        double const d_mol_density_nonwet_dpg =
            1 / ideal_gas_constant_times_T_int_pt;
        double const d_mol_density_nonwet_dT = -mol_density_nonwet / T_int_pt;
        double const d_mol_density_tot_dpc =
            (mol_density_wet - mol_density_nonwet) * dSw_dpc;
        double const d_mol_density_tot_dpg =
            (1 - Sw) * d_mol_density_nonwet_dpg;
        double const d_mol_density_tot_dT = (1 - Sw) * d_mol_density_nonwet_dT;
 
        // specific latent heat of evaporation
        double const latent_heat_evaporation =
            water_vapour_component
                .property(
                    MaterialPropertyLib::PropertyType::specific_latent_heat)
                .template value<double>(vars, pos, t, dt);
 
        vars.enthalpy_of_evaporation = latent_heat_evaporation;
 
        // saturated vapour pressure
        vars.molar_mass = air_mol_mass;
        double const p_sat =
            water_vapour_component
                .property(MaterialPropertyLib::PropertyType::vapour_pressure)
                .template value<double>(vars, pos, t, dt);
        double const dp_sat_dT =
            water_vapour_component
                .property(MaterialPropertyLib::PropertyType::vapour_pressure)
                .template dValue<double>(
                    vars, MaterialPropertyLib::Variable::temperature, pos, t,
                    dt);
 
        // Kelvin-Laplace correction for menisci
        double const K = std::exp(-pc_int_pt / mol_density_water /
                                  ideal_gas_constant_times_T_int_pt);
        double const dK_dT = pc_int_pt / mol_density_water /
                             ideal_gas_constant_times_T_int_pt / T_int_pt * K;
 
        // vapour pressure inside pore space (water partial pressure in gas
        // phase)
        double const p_vapour_nonwet = p_sat * K;
        double const d_p_vapour_nonwet_dT = dp_sat_dT * K + p_sat * dK_dT;
        double const d_p_vapour_nonwet_dpc =
            p_vapour_nonwet *
            (-1 / mol_density_water / ideal_gas_constant_times_T_int_pt);
 
        // Henry constant of organic contaminant
        double const henry_contam =
            contaminant_vapour_component
                .property(MaterialPropertyLib::PropertyType::henry_coefficient)
                .template value<double>(vars, pos, t, dt);
        double d_henry_contaminant_dT =
            contaminant_vapour_component
                .property(MaterialPropertyLib::PropertyType::henry_coefficient)
                .template dValue<double>(
                    vars, MaterialPropertyLib::Variable::temperature, pos, t,
                    dt);
 
        // mass distribution coefficients of contam. and water
        double const k_c = pg_int_pt * henry_contam / mol_density_wet;
        double const k_w = pg_int_pt / p_vapour_nonwet;
 
        // intermediate parameter
        double const Ntot_c =
            Sw * mol_density_wet * k_c + (1 - Sw) * mol_density_nonwet;
        // phase-wise component molar fractions
        double const x_contaminant_nonwet =
            Xc_int_pt * mol_density_tot / Ntot_c;
        double const x_contaminant_wet = k_c * x_contaminant_nonwet;
        double const x_water_wet = 1 - x_contaminant_wet;
        double const x_water_nonwet = x_water_wet / k_w;
        double const x_air_nonwet = 1 - x_water_nonwet - x_contaminant_nonwet;
 
        _gas_molar_fraction_water[ip] = x_water_nonwet;
        _liquid_molar_fraction_contaminant[ip] = x_contaminant_wet;
        _gas_molar_fraction_contaminant[ip] = x_contaminant_nonwet;
 
        double const d_kc_dpg = henry_contam / mol_density_wet;
        double const d_kc_dT =
            pg_int_pt * d_henry_contaminant_dT / mol_density_wet;
 
        // derivatives of component molar fractions w.r.t. PVs
        double const d_x_contaminant_nonwet_dpc =
            Xc_int_pt * (d_mol_density_tot_dpc / Ntot_c -
                         (mol_density_wet * k_c - mol_density_nonwet) *
                             dSw_dpc * mol_density_tot / Ntot_c / Ntot_c);
        double const d_x_contaminant_nonwet_dpg =
            Xc_int_pt * (d_mol_density_tot_dpg / Ntot_c -
                         (Sw * mol_density_wet * d_kc_dpg +
                          (1 - Sw) * d_mol_density_nonwet_dpg) *
                             mol_density_tot / Ntot_c / Ntot_c);
        double const d_x_contaminant_nonwet_dXc = mol_density_tot / Ntot_c;
        double const d_x_contaminant_nonwet_dT =
            Xc_int_pt * (d_mol_density_tot_dT / Ntot_c -
                         (Sw * mol_density_wet * d_kc_dT +
                          (1 - Sw) * d_mol_density_nonwet_dT) *
                             mol_density_tot / Ntot_c / Ntot_c);
 
        double const d_x_contaminant_wet_dpc = k_c * d_x_contaminant_nonwet_dpc;
        double const d_x_contaminant_wet_dpg =
            k_c * d_x_contaminant_nonwet_dpg + d_kc_dpg * x_contaminant_nonwet;
        double const d_x_contaminant_wet_dXc = k_c * d_x_contaminant_nonwet_dXc;
        double const d_x_contaminant_wet_dT =
            k_c * d_x_contaminant_nonwet_dT + d_kc_dT * x_contaminant_nonwet;
 
        double const d_x_water_wet_dpc = -d_x_contaminant_wet_dpc;
        double const d_x_water_wet_dpg = -d_x_contaminant_wet_dpg;
        double const d_x_water_wet_dXc = -d_x_contaminant_wet_dXc;
        double const d_x_water_wet_dT = -d_x_contaminant_wet_dT;
 
        double const d_x_water_nonwet_dpc =
            (d_p_vapour_nonwet_dpc * x_water_wet +
             p_vapour_nonwet * d_x_water_wet_dpc) /
            pg_int_pt;
        double const d_x_water_nonwet_dpg =
            p_vapour_nonwet * (d_x_water_wet_dpg / pg_int_pt -
                               x_water_wet / pg_int_pt / pg_int_pt);
        double const d_x_water_nonwet_dXc = d_x_water_wet_dXc / k_w;
        double const d_x_water_nonwet_dT =
            (d_p_vapour_nonwet_dT * x_water_wet +
             p_vapour_nonwet * d_x_water_wet_dT) /
            pg_int_pt;
 
        double const d_x_air_nonwet_dpc =
            -d_x_water_nonwet_dpc - d_x_contaminant_nonwet_dpc;
        double const d_x_air_nonwet_dpg =
            -d_x_water_nonwet_dpg - d_x_contaminant_nonwet_dpg;
        double const d_x_air_nonwet_dXc =
            -d_x_water_nonwet_dXc - d_x_contaminant_nonwet_dXc;
        double const d_x_air_nonwet_dT =
            -d_x_water_nonwet_dT - d_x_contaminant_nonwet_dT;
 
        // mass densities
        double const density_contaminant_wet =
            mol_density_wet * contaminant_mol_mass * x_contaminant_wet;
        double const density_wet = density_water + density_contaminant_wet;
 
        double const density_air_nonwet =
            mol_density_nonwet * air_mol_mass * x_air_nonwet;
        double const density_water_nonwet =
            mol_density_nonwet * water_mol_mass * x_water_nonwet;
        double const density_contaminant_nonwet =
            mol_density_nonwet * contaminant_mol_mass * x_contaminant_nonwet;
        double const density_nonwet = density_air_nonwet +
                                      density_water_nonwet +
                                      density_contaminant_nonwet;
 
        auto const density_solid =
            solid_phase.property(MaterialPropertyLib::PropertyType::density)
                .template value<double>(vars, pos, t, dt);
 
        // derivatives of nonwet phase densities w.r.t. PVs
        double const d_density_nonwet_dpg =
            d_mol_density_nonwet_dpg *
                (air_mol_mass * x_air_nonwet + water_mol_mass * x_water_nonwet +
                 contaminant_mol_mass * x_contaminant_nonwet) +
            mol_density_nonwet *
                (air_mol_mass * d_x_air_nonwet_dpg +
                 water_mol_mass * d_x_water_nonwet_dpg +
                 contaminant_mol_mass * d_x_contaminant_nonwet_dpg);
        double const d_density_nonwet_dpc =
            mol_density_nonwet *
            (air_mol_mass * d_x_air_nonwet_dpc +
             water_mol_mass * d_x_water_nonwet_dpc +
             contaminant_mol_mass * d_x_contaminant_nonwet_dpc);
        double const d_density_nonwet_dXc =
            mol_density_nonwet *
            (air_mol_mass * d_x_air_nonwet_dXc +
             water_mol_mass * d_x_water_nonwet_dXc +
             contaminant_mol_mass * d_x_contaminant_nonwet_dXc);
        double const d_density_nonwet_dT =
            d_mol_density_nonwet_dT *
                (air_mol_mass * x_air_nonwet + water_mol_mass * x_water_nonwet +
                 contaminant_mol_mass * x_contaminant_nonwet) +
            mol_density_nonwet *
                (air_mol_mass * d_x_air_nonwet_dT +
                 water_mol_mass * d_x_water_nonwet_dT +
                 contaminant_mol_mass * d_x_contaminant_nonwet_dT);
 
        double const mol_mass_nonwet =
            x_water_nonwet * water_mol_mass + x_air_nonwet * air_mol_mass +
            x_contaminant_nonwet * contaminant_mol_mass;
        // phase-wise component mass fractions
        double const X_water_nonwet =
            x_water_nonwet * water_mol_mass / mol_mass_nonwet;
        double const X_air_nonwet =
            x_air_nonwet * air_mol_mass / mol_mass_nonwet;
        double const X_contaminant_nonwet = 1 - X_water_nonwet - X_air_nonwet;
 
        // spec. heat capacities
        double const heat_capacity_dry_air =
            dry_air_component
                .property(
                    MaterialPropertyLib::PropertyType::specific_heat_capacity)
                .template value<double>(vars, pos, t, dt);
        double const heat_capacity_water_vapour =
            water_vapour_component
                .property(
                    MaterialPropertyLib::PropertyType::specific_heat_capacity)
                .template value<double>(vars, pos, t, dt);
        double const heat_capacity_contaminant_vapour =
            contaminant_vapour_component
                .property(
                    MaterialPropertyLib::PropertyType::specific_heat_capacity)
                .template value<double>(vars, pos, t, dt);
 
        double const heat_capacity_water =
            liquid_phase
                .property(
                    MaterialPropertyLib::PropertyType::specific_heat_capacity)
                .template value<double>(vars, pos, t, dt);
        double const heat_capacity_solid =
            solid_phase
                .property(
                    MaterialPropertyLib::PropertyType::specific_heat_capacity)
                .template value<double>(vars, pos, t, dt);
 
        // enthalpies of gaseous components
        // Note: h^a_G = C^a_P * (T - T0) = C^a_V * (T - T0) + RT/M^a, thus
        // "C^a_V" should be used in the following. Same for contaminant.
        double const enthalpy_air_nonwet =
            heat_capacity_dry_air * (T_int_pt - CelsiusZeroInKelvin) +
            IdealGasConstant * T_int_pt / air_mol_mass;
        double const enthalpy_water_nonwet =
            heat_capacity_water_vapour * (T_int_pt - CelsiusZeroInKelvin) +
            latent_heat_evaporation;
        double const enthalpy_contaminant_nonwet =
            heat_capacity_contaminant_vapour *
                (T_int_pt - CelsiusZeroInKelvin) +
            IdealGasConstant * T_int_pt / contaminant_mol_mass;
 
        // gas and liquid phase enthalpies
        double const enthalpy_nonwet =
            enthalpy_air_nonwet * X_air_nonwet +
            enthalpy_water_nonwet * X_water_nonwet +
            enthalpy_contaminant_nonwet * X_contaminant_nonwet;
        double const enthalpy_wet =
            heat_capacity_water * (T_int_pt - CelsiusZeroInKelvin);
 
        // gas and liquid phase internal energies
        double const internal_energy_nonwet =
            enthalpy_nonwet - pg_int_pt / density_nonwet;
        double const internal_energy_wet = enthalpy_wet;
 
        // derivatives of enthalpies w.r.t. temperature
        double const d_enthalpy_air_nonwet_dT =
            heat_capacity_dry_air + IdealGasConstant / air_mol_mass;
        double const d_enthalpy_contaminant_nonwet_dT =
            heat_capacity_contaminant_vapour +
            IdealGasConstant / contaminant_mol_mass;
 
        double const d_enthalpy_nonwet_dT =
            heat_capacity_water * X_water_nonwet +
            d_enthalpy_air_nonwet_dT * X_air_nonwet +
            d_enthalpy_contaminant_nonwet_dT * X_contaminant_nonwet;
 
        // Assemble M matrix
        Map.noalias() += porosity * (1 - Sw) *
                         (mol_density_nonwet * d_x_air_nonwet_dpg +
                          x_air_nonwet * d_mol_density_nonwet_dpg) *
                         mass_operator;
        Mapc.noalias() +=
            porosity * mol_density_nonwet *
            ((1 - Sw) * d_x_air_nonwet_dpc - x_air_nonwet * dSw_dpc) *
            mass_operator;
        Max.noalias() += porosity * mol_density_nonwet * (1 - Sw) *
                         d_x_air_nonwet_dXc * mass_operator;
        Mat.noalias() += porosity * (1 - Sw) *
                         (mol_density_nonwet * d_x_air_nonwet_dT +
                          x_air_nonwet * d_mol_density_nonwet_dT) *
                         mass_operator;
 
        Mwp.noalias() +=
            porosity *
            (mol_density_wet * Sw * d_x_water_wet_dpg +
             (1 - Sw) * x_water_nonwet * d_mol_density_nonwet_dpg +
             mol_density_nonwet * (1 - Sw) * d_x_water_nonwet_dpg) *
            mass_operator;
        Mwpc.noalias() +=
            porosity *
            (mol_density_wet *
                 (x_water_wet * dSw_dpc + Sw * d_x_water_wet_dpc) +
             mol_density_nonwet *
                 ((1 - Sw) * d_x_water_nonwet_dpc - x_water_nonwet * dSw_dpc)) *
            mass_operator;
        Mwx.noalias() +=
            porosity *
            (mol_density_wet * Sw * d_x_water_wet_dXc +
             mol_density_nonwet * (1 - Sw) * d_x_water_nonwet_dXc) *
            mass_operator;
        Mwt.noalias() += porosity *
                         ((1 - Sw) / ideal_gas_constant_times_T_int_pt *
                          (d_p_vapour_nonwet_dT - p_vapour_nonwet / T_int_pt)) *
                         mass_operator;
 
        Mcp.noalias() +=
            porosity *
            (mol_density_wet * Sw * d_x_contaminant_wet_dpg +
             (1 - Sw) * x_contaminant_nonwet * d_mol_density_nonwet_dpg +
             mol_density_nonwet * (1 - Sw) * d_x_contaminant_nonwet_dpg) *
            mass_operator;
        Mcpc.noalias() +=
            porosity *
            (mol_density_wet *
                 (x_contaminant_wet * dSw_dpc + Sw * d_x_contaminant_wet_dpc) +
             mol_density_nonwet * ((1 - Sw) * d_x_contaminant_nonwet_dpc -
                                   x_contaminant_nonwet * dSw_dpc)) *
            mass_operator;
        Mcx.noalias() +=
            porosity *
            (mol_density_wet * Sw * d_x_contaminant_wet_dXc +
             mol_density_nonwet * (1 - Sw) * d_x_contaminant_nonwet_dXc) *
            mass_operator;
        Mct.noalias() +=
            porosity *
            (mol_density_wet * Sw * d_x_contaminant_wet_dT +
             (1 - Sw) * x_contaminant_nonwet * d_mol_density_nonwet_dT +
             mol_density_nonwet * (1 - Sw) * d_x_contaminant_nonwet_dT) *
            mass_operator;
 
        Mep.noalias() += porosity *
                         (d_density_nonwet_dpg * enthalpy_nonwet - 1) *
                         (1 - Sw) * mass_operator;
        Mepc.noalias() += porosity *
                              (density_wet * internal_energy_wet -
                               density_nonwet * internal_energy_nonwet) *
                              dSw_dpc * mass_operator +
                          porosity * d_density_nonwet_dpc * enthalpy_nonwet *
                              (1 - Sw) * mass_operator;
        Mex.noalias() += porosity * d_density_nonwet_dXc * enthalpy_nonwet *
                         (1 - Sw) * mass_operator;
        Met.noalias() +=
            ((1 - porosity) * density_solid * heat_capacity_solid +
             porosity * ((1 - Sw) * (d_density_nonwet_dT * enthalpy_nonwet +
                                     density_nonwet * d_enthalpy_nonwet_dT) +
                         Sw * density_wet * heat_capacity_water)) *
            mass_operator;
 
        // pore diffusion coefficients
        double const diffusion_coeff_water_nonwet =
            water_vapour_component
                .property(MaterialPropertyLib::PropertyType::pore_diffusion)
                .template value<double>(vars, pos, t, dt);
        double const diffusion_coeff_contaminant_nonwet =
            contaminant_vapour_component
                .property(MaterialPropertyLib::PropertyType::pore_diffusion)
                .template value<double>(vars, pos, t, dt);
        double const diffusion_coeff_contaminant_wet =
            dissolved_contaminant_component
                .property(MaterialPropertyLib::PropertyType::pore_diffusion)
                .template value<double>(vars, pos, t, dt);
 
        // gas phase relative permeability, viscosity and mobility
        double const k_rel_nonwet =
            medium
                .property(MaterialPropertyLib::PropertyType::
                              relative_permeability_nonwetting_phase)
                .template value<double>(vars, pos, t, dt);
        auto const mu_nonwet =
            gas_phase.property(MaterialPropertyLib::PropertyType::viscosity)
                .template value<double>(vars, pos, t, dt);
        double const lambda_nonwet = k_rel_nonwet / mu_nonwet;
 
        // liquid phase relative permeability, viscosity and mobility
        double const k_rel_wet =
            medium
                .property(
                    MaterialPropertyLib::PropertyType::relative_permeability)
                .template value<double>(vars, pos, t, dt);
        auto const mu_wet =
            liquid_phase.property(MaterialPropertyLib::PropertyType::viscosity)
                .template value<double>(vars, pos, t, dt);
        double const lambda_wet = k_rel_wet / mu_wet;
 
        // intrinsic permeability
        auto const permeability =
            MaterialPropertyLib::formEigenTensor<GlobalDim>(
                medium.property(MaterialPropertyLib::PropertyType::permeability)
                    .value(vars, pos, t, dt));
 
        // gravity
        auto const& b = _process_data.specific_body_force;
 
        // gas and liquid phase velocities
        GlobalDimVectorType const velocity_wet =
            _process_data.has_gravity
                ? GlobalDimVectorType(
                      -lambda_wet * permeability *
                      (dNdx * (pg_nodal_values - pc_nodal_values) -
                       density_wet * b))
                : GlobalDimVectorType(-lambda_wet * permeability * dNdx *
                                      (pg_nodal_values - pc_nodal_values));
 
        laplace_operator.noalias() = dNdx.transpose() * permeability * dNdx * w;
 
        // mechanical dispersivities
        auto const solute_dispersivity_transverse =
            medium.template value<double>(
                MaterialPropertyLib::PropertyType::transversal_dispersivity);
        auto const solute_dispersivity_longitudinal =
            medium.template value<double>(
                MaterialPropertyLib::PropertyType::longitudinal_dispersivity);
 
        double const velocity_wet_magnitude = velocity_wet.norm();
        GlobalDimMatrixType const hydrodynamic_dispersion =
            velocity_wet_magnitude != 0.0
                ? GlobalDimMatrixType(
                      (porosity * Sw * diffusion_coeff_contaminant_wet +
                       solute_dispersivity_transverse *
                           velocity_wet_magnitude) *
                          I +
                      (solute_dispersivity_longitudinal -
                       solute_dispersivity_transverse) /
                          velocity_wet_magnitude * velocity_wet *
                          velocity_wet.transpose())
                : GlobalDimMatrixType(
                      (porosity * Sw * diffusion_coeff_contaminant_wet +
                       solute_dispersivity_transverse *
                           velocity_wet_magnitude) *
                      I);
 
        auto const dispersion_operator =
            dNdx.transpose() * hydrodynamic_dispersion * dNdx * w;
 
        // Assemble K matrix
        // The sum of all diffusive fluxes in either phase must equal to zero
        Kap.noalias() +=
            (mol_density_nonwet * x_air_nonwet * lambda_nonwet) *
                laplace_operator -
            (1 - Sw) * porosity * mol_density_nonwet *
                (diffusion_coeff_water_nonwet * d_x_water_nonwet_dpg +
                 diffusion_coeff_contaminant_nonwet *
                     d_x_contaminant_nonwet_dpg) *
                diffusion_operator;
        Kapc.noalias() +=
            -(1 - Sw) * porosity * mol_density_nonwet *
            (diffusion_coeff_water_nonwet * d_x_water_nonwet_dpc +
             diffusion_coeff_contaminant_nonwet * d_x_contaminant_nonwet_dpc) *
            diffusion_operator;
        Kax.noalias() +=
            -(1 - Sw) * porosity * mol_density_nonwet *
            (diffusion_coeff_water_nonwet * d_x_water_nonwet_dXc +
             diffusion_coeff_contaminant_nonwet * d_x_contaminant_nonwet_dXc) *
            diffusion_operator;
        Kat.noalias() +=
            -(1 - Sw) * porosity * mol_density_nonwet *
            (diffusion_coeff_water_nonwet * d_x_water_nonwet_dT +
             diffusion_coeff_contaminant_nonwet * d_x_contaminant_nonwet_dT) *
            diffusion_operator;
 
        Kwp.noalias() +=
            (mol_density_wet * x_water_wet * lambda_wet +
             mol_density_nonwet * x_water_nonwet * lambda_nonwet) *
                laplace_operator +
            porosity *
                (Sw * mol_density_wet * diffusion_coeff_contaminant_wet *
                     d_x_water_wet_dpg +
                 (1 - Sw) * diffusion_coeff_water_nonwet * mol_density_nonwet *
                     d_x_water_nonwet_dpg) *
                diffusion_operator;
        Kwpc.noalias() +=
            -mol_density_wet * x_water_wet * lambda_wet * laplace_operator +
            porosity *
                (Sw * mol_density_wet * diffusion_coeff_contaminant_wet *
                     d_x_water_wet_dpc +
                 (1 - Sw) * mol_density_nonwet * diffusion_coeff_water_nonwet *
                     d_x_water_nonwet_dpc) *
                diffusion_operator;
        Kwx.noalias() +=
            porosity *
            (Sw * mol_density_wet * diffusion_coeff_contaminant_wet *
                 d_x_water_wet_dXc +
             (1 - Sw) * mol_density_nonwet * diffusion_coeff_water_nonwet *
                 d_x_water_nonwet_dXc) *
            diffusion_operator;
        Kwt.noalias() +=
            porosity *
            (Sw * mol_density_wet * diffusion_coeff_contaminant_wet *
                 d_x_water_wet_dT +
             (1 - Sw) * mol_density_nonwet * diffusion_coeff_water_nonwet *
                 d_x_water_nonwet_dT) *
            diffusion_operator;
 
        Kcp.noalias() +=
            (mol_density_wet * x_contaminant_wet * lambda_wet +
             mol_density_nonwet * x_contaminant_nonwet * lambda_nonwet) *
                laplace_operator +
            mol_density_wet * dispersion_operator * d_x_contaminant_wet_dpg +
            porosity * (1 - Sw) * mol_density_nonwet *
                diffusion_coeff_contaminant_nonwet *
                d_x_contaminant_nonwet_dpg * diffusion_operator;
        Kcpc.noalias() +=
            -mol_density_wet * x_contaminant_wet * lambda_wet *
                laplace_operator +
            mol_density_wet * dispersion_operator * d_x_contaminant_wet_dpc +
            porosity * (1 - Sw) * mol_density_nonwet *
                diffusion_coeff_contaminant_nonwet *
                d_x_contaminant_nonwet_dpc * diffusion_operator;
        Kcx.noalias() +=
            mol_density_wet * dispersion_operator * d_x_contaminant_wet_dXc +
            porosity * (1 - Sw) * mol_density_nonwet *
                diffusion_coeff_contaminant_nonwet *
                d_x_contaminant_nonwet_dXc * diffusion_operator;
        Kct.noalias() +=
            mol_density_wet * dispersion_operator * d_x_contaminant_wet_dT +
            porosity * (1 - Sw) * mol_density_nonwet *
                diffusion_coeff_contaminant_nonwet * d_x_contaminant_nonwet_dT *
                diffusion_operator;
 
        Kep.noalias() += (lambda_nonwet * density_nonwet * enthalpy_nonwet +
                          lambda_wet * density_wet * enthalpy_wet) *
                         laplace_operator;
        Kepc.noalias() +=
            -lambda_wet * enthalpy_wet * density_wet * laplace_operator;
 
        if (medium.hasProperty(
                MaterialPropertyLib::PropertyType::thermal_conductivity))
        {
            auto const lambda =
                medium
                    .property(
                        MaterialPropertyLib::PropertyType::thermal_conductivity)
                    .value(vars, pos, t, dt);
 
            GlobalDimMatrixType const heat_conductivity_unsaturated =
                MaterialPropertyLib::formEigenTensor<GlobalDim>(lambda);
 
            Ket.noalias() +=
                dNdx.transpose() * heat_conductivity_unsaturated * dNdx * w;
        }
        else
        {
            auto const thermal_conductivity_solid =
                solid_phase
                    .property(
                        MaterialPropertyLib::PropertyType::thermal_conductivity)
                    .value(vars, pos, t, dt);
 
            auto const thermal_conductivity_fluid =
                liquid_phase
                    .property(
                        MaterialPropertyLib::PropertyType::thermal_conductivity)
                    .template value<double>(vars, pos, t, dt) *
                Sw;
 
            GlobalDimMatrixType const heat_conductivity_unsaturated =
                MaterialPropertyLib::formEffectiveThermalConductivity<
                    GlobalDim>(thermal_conductivity_solid,
                               thermal_conductivity_fluid, porosity);
 
            Ket.noalias() +=
                dNdx.transpose() * heat_conductivity_unsaturated * dNdx * w;
        }
 
        if (_process_data.has_gravity)
        {
            NodalVectorType gravity_operator =
                dNdx.transpose() * permeability * b * w;
            Ba.noalias() += (mol_density_nonwet * x_air_nonwet * lambda_nonwet *
                             density_nonwet) *
                            gravity_operator;
            Bw.noalias() +=
                (mol_density_wet * x_water_wet * lambda_wet * density_wet +
                 mol_density_nonwet * x_water_nonwet * lambda_nonwet *
                     density_nonwet) *
                gravity_operator;
            Bc.noalias() += (mol_density_wet * x_contaminant_wet * lambda_wet *
                                 density_wet +
                             mol_density_nonwet * x_contaminant_nonwet *
                                 lambda_nonwet * density_nonwet) *
                            gravity_operator;
            Be.noalias() +=
                (lambda_nonwet * density_nonwet * density_nonwet *
                     enthalpy_nonwet +
                 lambda_wet * density_wet * density_wet * enthalpy_wet) *
                gravity_operator;
        }  // end of has gravity
    }
    if (_process_data.has_mass_lumping)
    {
        Map = Map.colwise().sum().eval().asDiagonal();
        Mapc = Mapc.colwise().sum().eval().asDiagonal();
        Max = Max.colwise().sum().eval().asDiagonal();
        Mat = Mat.colwise().sum().eval().asDiagonal();
        Mwp = Mwp.colwise().sum().eval().asDiagonal();
        Mwpc = Mwpc.colwise().sum().eval().asDiagonal();
        Mwx = Mwx.colwise().sum().eval().asDiagonal();
        Mwt = Mwt.colwise().sum().eval().asDiagonal();
        Mcp = Mcp.colwise().sum().eval().asDiagonal();
        Mcpc = Mcpc.colwise().sum().eval().asDiagonal();
        Mcx = Mcx.colwise().sum().eval().asDiagonal();
        Mct = Mct.colwise().sum().eval().asDiagonal();
        Mep = Mep.colwise().sum().eval().asDiagonal();
        Mepc = Mepc.colwise().sum().eval().asDiagonal();
        Mex = Mex.colwise().sum().eval().asDiagonal();
        Met = Met.colwise().sum().eval().asDiagonal();
    }  // end of mass-lumping
}
 
}  // namespace ThermalTwoPhaseFlowWithPP
}  // namespace ProcessLib