reactive_fluid_transport.h

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/*
  Copyright (C) 2023 by the authors of the ASPECT code.

  This file is part of ASPECT.

  ASPECT 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 2, or (at your option)
  any later version.

  ASPECT 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 ASPECT; see the file LICENSE.  If not see
  <http://www.gnu.org/licenses/>.
*/

#ifndef _aspect_material_model_reactive_fluid_transport_h
#define _aspect_material_model_reactive_fluid_transport_h

#include <aspect/material_model/interface.h>
#include <aspect/simulator_access.h>
#include <aspect/melt.h>
#include <aspect/utilities.h>
#include <aspect/geometry_model/interface.h>

#include <aspect/melt.h>
#include <aspect/utilities.h>
#include <aspect/geometry_model/interface.h>
#include <aspect/material_model/reaction_model/katz2003_mantle_melting.h>



namespace aspect
{
  namespace MaterialModel
  {
    using namespace dealii;
    template <int dim>
    class ReactiveFluidTransport : public MaterialModel::MeltInterface<dim>, public MaterialModel::MeltFractionModel<dim>, public ::aspect::SimulatorAccess<dim>
    {
      public:
        bool is_compressible () const override;

        virtual double reference_darcy_coefficient () const override;


        std::vector<double> tian_equilibrium_bound_water_content(const MaterialModel::MaterialModelInputs<dim> &in,
                                                                 unsigned int q) const;

        virtual void melt_fractions (const MaterialModel::MaterialModelInputs<dim> &in,
                                     std::vector<double> &melt_fractions) const override;

        void
        initialize () override;

        void update() override;

        void
        evaluate (const typename Interface<dim>::MaterialModelInputs &in,
                  typename Interface<dim>::MaterialModelOutputs &out) const override;

        static void
        declare_parameters (ParameterHandler &prm);

        void
        parse_parameters (ParameterHandler &prm) override;

        virtual
        void
        create_additional_named_outputs (MaterialModel::MaterialModelOutputs<dim> &out) const override;

      private:

        std::unique_ptr<MaterialModel::Interface<dim>> base_model;

        // Variables that describe the properties of the fluid, i.e. its density,
        // viscosity, and compressibility.
        // Properties of the solid are defined in the base model.
        double reference_rho_f;
        double eta_f;
        double fluid_compressibility;

        // Material properties governing the transport of the fluid with respect
        // to the solid, i.e., the bulk viscosity (relative to the shear viscosity),
        // the permeability, and how much the solid viscosity changes in the presence
        // of fluids.
        double shear_to_bulk_viscosity_ratio;
        double min_compaction_visc;
        double max_compaction_visc;
        double reference_permeability;
        double alpha_phi;
        double reference_T;

        // Time scale for fluid release and absorption.
        double fluid_reaction_time_scale;

        // The maximum water content for each of the 4 rock types in the tian approximation
        // method. These are important for keeping the polynomial bounded within reasonable
        // values.
        double tian_max_peridotite_water;
        double tian_max_gabbro_water;
        double tian_max_MORB_water;
        double tian_max_sediment_water;

        // The following coefficients are taken from a publication from Tian et al., 2019, and can be found
        // in Table 3 (Gabbro), Table B1 (MORB), Table B2 (Sediments) and Table B3 (peridotite).
        // LR refers to the effective enthalpy change for devolatilization reactions,
        // csat is the saturated mass fraction of water in the solid, and Td is the
        // onset temperature of devolatilization for water.
        std::vector<double> LR_peridotite_poly_coeffs {-19.0609, 168.983, -630.032, 1281.84, -1543.14, 1111.88, -459.142, 95.4143, 1.97246};
        std::vector<double> csat_peridotite_poly_coeffs {0.00115628, 2.42179};
        std::vector<double> Td_peridotite_poly_coeffs {-15.4627, 94.9716, 636.603};

        std::vector<double> LR_gabbro_poly_coeffs {-1.81745, 7.67198, -10.8507, 5.09329, 8.14519};
        std::vector<double> csat_gabbro_poly_coeffs {-0.0176673, 0.0893044, 1.52732};
        std::vector<double> Td_gabbro_poly_coeffs {-1.72277, 20.5898, 637.517};

        std::vector<double> LR_MORB_poly_coeffs {-1.78177, 7.50871, -10.4840, 5.19725, 7.96365};
        std::vector<double> csat_MORB_poly_coeffs {0.0102725, -0.115390, 0.324452, 1.41588};
        std::vector<double> Td_MORB_poly_coeffs {-3.81280, 22.7809, 638.049};

        std::vector<double> LR_sediment_poly_coeffs {-2.03283, 10.8186, -21.2119, 18.3351, -6.48711, 8.32459};
        std::vector<double> csat_sediment_poly_coeffs {-0.150662, 0.301807, 1.01867};
        std::vector<double> Td_sediment_poly_coeffs {2.83277, -24.7593, 85.9090, 524.898};

        // The polynomials breakdown above certain pressures, 10 GPa for peridotite, 26 GPa for gabbro, 16 GPa for MORB,
        // and 50 GPa for sediment. These cutoff pressures were determined by extending the pressure range in Tian et al. (2019)
        // and observing where the maximum allowed water contents jump towards infinite values.
        const std::vector<double> pressure_cutoffs {10, 26, 16, 50};

        std::vector<std::vector<double>> devolatilization_enthalpy_changes {LR_peridotite_poly_coeffs, LR_gabbro_poly_coeffs, \
                                                                             LR_MORB_poly_coeffs, LR_sediment_poly_coeffs
                                                                            };

        std::vector<std::vector<double>> water_mass_fractions {csat_peridotite_poly_coeffs, csat_gabbro_poly_coeffs, \
                                                                csat_MORB_poly_coeffs, csat_sediment_poly_coeffs
                                                               };

        std::vector<std::vector<double>> devolatilization_onset_temperatures {Td_peridotite_poly_coeffs, Td_gabbro_poly_coeffs, \
                                                                               Td_MORB_poly_coeffs, Td_sediment_poly_coeffs
                                                                              };

        /*
        * Object for computing Katz 2003 melt parameters
        */
        ReactionModel::Katz2003MantleMelting<dim> katz2003_model;

        enum ReactionScheme
        {
          no_reaction,
          zero_solubility,
          tian_approximation,
          katz2003
        }
        fluid_solid_reaction_scheme;
    };
  }
}

#endif