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refactor the tian approximation in the reactive fluid transport model
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include/aspect/material_model/reaction_model/tian2019_solubility.h
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| /* | ||
| Copyright (C) 2024 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/>. | ||
| */ | ||
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| #ifndef _aspect_material_reaction_melt_tian2019_solubility_h | ||
| #define _aspect_material_reaction_melt_tian2019_solubility_h | ||
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| #include <aspect/material_model/interface.h> | ||
| #include <aspect/simulator_access.h> | ||
| #include <aspect/melt.h> | ||
| #include <aspect/utilities.h> | ||
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| namespace aspect | ||
| { | ||
| namespace MaterialModel | ||
| { | ||
| using namespace dealii; | ||
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| namespace ReactionModel | ||
| { | ||
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| /** | ||
| * A melt model that calculates melt fraction and entropy change | ||
| * according to the melting model for dry peridotite of Katz, 2003. | ||
| * This also includes a computation of the latent heat of melting (if the latent heat | ||
| * heating model is active). | ||
| * | ||
| * These functions can be used in the calculation of melting and melt transport | ||
| * in the melt_simple material model and can be extended to other material models | ||
| * | ||
| * @ingroup ReactionModel | ||
| */ | ||
| template <int dim> | ||
| class Tian2019Solubility : public ::aspect::SimulatorAccess<dim> | ||
| { | ||
| public: | ||
| // constructor | ||
| Tian2019Solubility(); | ||
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| /** | ||
| * Declare the parameters this function takes through input files. | ||
| */ | ||
| static | ||
| void | ||
| declare_parameters (ParameterHandler &prm); | ||
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| /** | ||
| * Read the parameters from the parameter file. | ||
| */ | ||
| void | ||
| parse_parameters (ParameterHandler &prm); | ||
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| /** | ||
| * Compute the free fluid fraction that can be present in the material based on the | ||
| * fluid content of the material and the fluid solubility for the given input conditions. | ||
| * @p in and @p melt_fractions need to have the same size. | ||
| * | ||
| * @param in Object that contains the current conditions. | ||
| * @param melt_fractions Vector of doubles that is filled with the | ||
| * allowable free fluid fraction for each given input conditions. | ||
| */ | ||
| double | ||
| melt_fraction (const MaterialModel::MaterialModelInputs<dim> &in, | ||
| const unsigned int porosity_idx, | ||
| unsigned int q) const; | ||
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| /** | ||
| * Compute the maximum allowed bound water content at the input | ||
| * pressure and temperature conditions. This is used to determine | ||
| * how free water interacts with the solid phase. | ||
| * @param in Object that contains the current conditions. | ||
| * @param q unsigned int from 0-3 indexing which rock phase the equilbrium | ||
| * bound water content is being calculated for | ||
| */ | ||
| std::vector<double> tian_equilibrium_bound_water_content(const MaterialModel::MaterialModelInputs<dim> &in, | ||
| unsigned int q) const; | ||
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| private: | ||
| /** | ||
| * Parameters for the solubility model of Tian et al., 2019. | ||
| */ | ||
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| /** | ||
| * 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; | ||
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| /** | ||
| * | ||
| * 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}; | ||
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| 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}; | ||
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| 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}; | ||
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| 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}; | ||
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| /** | ||
| * 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}; | ||
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| std::vector<std::vector<double>> devolatilization_enthalpy_changes {LR_peridotite_poly_coeffs, LR_gabbro_poly_coeffs, \ | ||
| LR_MORB_poly_coeffs, LR_sediment_poly_coeffs | ||
| }; | ||
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| std::vector<std::vector<double>> water_mass_fractions {csat_peridotite_poly_coeffs, csat_gabbro_poly_coeffs, \ | ||
| csat_MORB_poly_coeffs, csat_sediment_poly_coeffs | ||
| }; | ||
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| std::vector<std::vector<double>> devolatilization_onset_temperatures {Td_peridotite_poly_coeffs, Td_gabbro_poly_coeffs, \ | ||
| Td_MORB_poly_coeffs, Td_sediment_poly_coeffs | ||
| }; | ||
| }; | ||
| } | ||
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| } | ||
| } | ||
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| #endif |
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