---
plugins:
    to_load:
        - acc_carbo_ups.so
        - acc_carbo_variables.so

logs:
    level:  warning
    output: cerr

configuration_logs:
    output: file
    file: conf_log_acc_carbo

database:
    path: cemdata.yaml
    swap_components:
        - out: HCO3[-]
          in:   CO2
        #- out: H[+]
        #  in: HO[-]
        - out: Al[3+]
          in:  Al(OH)4[-]
    remove_half_cells: true
    list_solids_to_keep: # the solids phases at equilibrium to keep
        - "Portlandite"
        - "CSH,jennite"
        - "CSH,tobermorite"
        - "SiO2(am)"
        - "Calcite"
        - "Al(OH)3(mic)"
        - "C3AH6"
        - "C3ASO_41H5_18"
        - "C3ASO_84H4_32"
        - "C4AH19"
        - "C4AH13"
        - "C2AH7_5"
        - "CAH10"
        - "Monosulfoaluminate"
        - "Tricarboaluminate"
        - "Monocarboaluminate"
        - "Hemicarboaluminate"
        # - "Straetlingite"
        - "Gypsum"
        - "Ettringite"
        # - "Thaumasite"


units:
    length: centimeter

mesh:
    type: uniform_mesh
    uniform_mesh:
        dx: 0.05
        section: 5.0
        nb_nodes: 50

variables:
    type: plugin
    plugin_name: acc_carbo_variables

    bc_p_co2: 1000
    bc_p_h2o: 1800
    scaling_sat: 1.0e3/18.3e-3*1e-6
    scaling_aqueous: 100e-6
    scaling_gas: 100e-6

boundary_conditions:
    gas_nodes: 0
    fixed_nodes: 0
    constraints:
        default:
            charge_keeper: "H[+]"
            #charge_keeper: "HO[-]"
            conservation_water: true
            #inert_volume_fraction: 0.1

staggers:
    upscaling:
        type: plugin
        plugin_name: acc_carbo_ups

        parameters:
            capillary_a: 37.5479e6
            capillary_b: 2.1684

            pv_sat: 3170

            exp_r_l_d: 3.00
            exp_i_g_d: 2.74
            exp_r_g_d: 4.20
            exp_r_l_k: 0.4191

            k_0: 1.0e-21*1e4
            d_0: 2.3e-13*1e4
            phi_0: 0.25

    chemistry:
        type: equilibrium
        equilibrium_options:
            default:
                residual_tolerance: 1e-6
                step_tolerance: 1e-12
                maximum_step_length: 10
                maximum_iterations: 500
                maximum_step_maximum_iterations: 500
                non_ideality_tolerance: 1e-14
                non_ideality_maximum_iterations: 20
                cutoff_total_concentration: 1e-14
                restart_concentration: -4
                restart_water_volume_fraction: 0.5
                under_relaxation: 0.5
                threshold_cycling_linesearch: 1e-7


    transport:
        # general options
        #merge_saturation: true
        #merge_aqueous: true
        merge_saturation: false
        merge_aqueous: false

        # dfpm options
        default_options:
            residual_tolerance: 1e-6
            step_tolerance: 1e-14
            absolute_tolerance: 1e-16
            threshold_stationary: 1e-12
            quasi_newton: 1
            #linesearch: strang
            linesearch: backtracking
            sparse_solver: QR

        saturation_options:
            threshold_stationary: 1e-12
            maximum_step_length: 0.1
            maximum_step_maximum_iterations: 500
            maximum_iterations: 500

        aqueous_options:
            maximum_step_length: 0.1
            maximum_step_maximum_iterations: 500
            maximum_iterations: 500

        gas_options:
            maximum_step_length: 1000.0
            maximum_step_maximum_iterations: 500
            maximum_iterations: 500

reactmicp_options:
    residual_tolerance: 1e-2
    good_enough_tolerance: 0.99
    maximum_iterations: 25
    step_tolerance: 1e-10
    implicit_upscaling: true

simulation:
    name: acc_carbo
    output_prefix: acc_carbo_
    print_iter_info: true
    output_step: 3600

run:
    run_until: 30*24*3600

timestepper:
    minimum_dt: 0.01
    maximum_dt: 2.0
    restart_dt: 0.05


reactmicp_output:
    database: acc_carbo_db.yaml
    type: hdf5
    file: acc_carbo.hdf5