tian2019_solubility.h

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// ------------------------------------------------------
//
// SPDX-License-Identifier: GPL-2.0-or-later
//
// SPDX-FileCopyrightText: Copyright (C) 2024-2026 by the ASPECT authors.
//
// This file is part of ASPECT.
//
// Detailed license information governing the source code and
// contributions can be found in the folder LICENSES and in
// LICENSE and CONTRIBUTING.md at the top level directory.
//
// ------------------------------------------------------

#ifndef _aspect_material_reaction_model_melt_tian2019_solubility_h
#define _aspect_material_reaction_model_melt_tian2019_solubility_h

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


namespace aspect
{
  namespace MaterialModel
  {
    using namespace dealii;

    namespace ReactionModel
    {

      template <int dim>
      class Tian2019Solubility : public ::aspect::SimulatorAccess<dim>
      {
        public:

          double
          melt_fraction (const MaterialModel::MaterialModelInputs<dim> &in,
                         const double mass_frac_porosity,
                         unsigned int q) const;

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

          static
          void
          declare_parameters (ParameterHandler &prm);

          void
          parse_parameters (ParameterHandler &prm);

        private:

          double tian_max_peridotite_water;
          double tian_max_gabbro_water;
          double tian_max_MORB_water;
          double tian_max_sediment_water;

          bool use_adiabatic_pressure_for_reactions;

          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};

          const std::array<double,4 > 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
                                                                                };
      };
    }

  }
}

#endif