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demo.yaml

simulation_params:
  dt: 5
  time: 1000000
  max_iter: 24
  include_processes:
    - conversion
    - max_solubility
    - diffusion
    - sorption

output:
  step_time: 500
  quantities:
    - fuel_m_kg
    - deg_m_kg
    - cont.water_c_kg/m3
    - cont.water_sat_%
    - bent.inner.bound.water_c_kg/m3
    - bent.1/4.water_c_kg/m3
    - bent.1/2.water_c_kg/m3
    - bent.3/4.water_c_kg/m3
    - bent.outer.bound.water_c_kg/m3
    - bent.water_m_kg
    - bent.rock_m_kg
    - granit.water_m_kg
    - granit.water_m(cumsum)_kg
  isotopes: [all]
  elements: [all]
  summary_quantity: no
  degradation_rate: yes
  columns_ordering: quantity
  separators: dec,_col;
  number_format: G
  file_name: .\output\demo.csv
  statistics:
    - cont_max_c
    - bent_bound_max_c
    - granit_inflow
  
container:
  radius: 0.4
  height: 4
  free_volume: 0.2
  T0_water_inflow_time: 200000
  fuel_degradation_function:
    model: user_def
    user_def:
      times:    [0,   800000]
      values_%: [irf, 100]
    power:
      degradation_time_span: 800000
      power_factor: 0.3
      time_step: 100
  dissolving:
    controlled: no
    controlling_element: U
  bentonite_contact_area_function:
    times:    [0]
    values_%: [100]
  direct_outflow_into_granite_%/year: 0
    
bentonite:
  width: 0.7
  dr: 0.05
  density: 1500
  zones_outer_bound: [0.7]
  porosity:
    times:   [0]
    zone1_%: [30]
  De_b_modification:
    times:   [0]
    zone1_%: [100]
  Kd_b_modification:
    times:   [0]
    zone1_%: [100]
  bound_model: zero_conc

granite_layer:
  width: 0.002
  De_source: De_b_%
  De_b_%: 100
  conc_by_bentonite_bound_conc_%: 0
 
  
isotopes:

  - name: Se79
    M_kg/mol: 0.079
    T_1/2_year: 356000
    conversion_to: others
    init_m_kg: 0.0374
    irf_%: 1
    c_max_mol/m3: 0.01
    De_b_m2/s: 1e-11
    Kd_b_m3/kg: 0
    De_g_m2/s: 4e-14

  - name: Sn126
    M_kg/mol: 0.126
    T_1/2_year: 232000
    conversion_to: others
    init_m_kg: 0.0769
    irf_%: 1
    c_max_mol/m3: 0.0001
    De_b_m2/s: 1.2e-10
    Kd_b_m3/kg: 40
    De_g_m2/s: 4e-14

  - name: I129
    M_kg/mol: 0.129
    T_1/2_year: 1.61e+07
    conversion_to: others
    init_m_kg: 0.2
    irf_%: 3
    c_max_mol/m3: inf
    De_b_m2/s: 1e-11
    Kd_b_m3/kg: 0
    De_g_m2/s: 8e-15

  - name: Ra226
    M_kg/mol: 0.226
    T_1/2_year: 1600
    conversion_to: others
    init_m_kg: 1.32e-08
    irf_%: 0
    c_max_mol/m3: 5e-05
    De_b_m2/s: 1.2e-10
    Kd_b_m3/kg: 0.001
    De_g_m2/s: 3.7e-14

  - name: Th229
    M_kg/mol: 0.229
    T_1/2_year: 7340
    conversion_to: others
    init_m_kg: 4.43e-09
    irf_%: 0
    c_max_mol/m3: 0.003
    De_b_m2/s: 1.2e-10
    Kd_b_m3/kg: 40
    De_g_m2/s: 6.3e-15

  - name: Th230
    M_kg/mol: 0.23
    T_1/2_year: 75400
    conversion_to: Ra226
    init_m_kg: 4.46e-05
    irf_%: 0
    c_max_mol/m3: 0.003
    De_b_m2/s: 1.2e-10
    Kd_b_m3/kg: 40
    De_g_m2/s: 6.3e-15

  - name: Pa231
    M_kg/mol: 0.231
    T_1/2_year: 32800
    conversion_to: others
    init_m_kg: 8.49e-07
    irf_%: 0
    c_max_mol/m3: 0.01
    De_b_m2/s: 1.2e-10
    Kd_b_m3/kg: 3
    De_g_m2/s: 4e-14

  - name: Th232
    M_kg/mol: 0.232
    T_1/2_year: 1.41e+10
    conversion_to: others
    init_m_kg: 8.91e-06
    irf_%: 0
    c_max_mol/m3: 0.003
    De_b_m2/s: 1.2e-10
    Kd_b_m3/kg: 40
    De_g_m2/s: 6.3e-15

  - name: U233
    M_kg/mol: 0.233
    T_1/2_year: 159000
    conversion_to: Th229
    init_m_kg: 1.82e-05
    irf_%: 0
    c_max_mol/m3: 0.0005
    De_b_m2/s: 1.2e-10
    Kd_b_m3/kg: 40
    De_g_m2/s: 4e-14

  - name: U234
    M_kg/mol: 0.234
    T_1/2_year: 246000
    conversion_to: Th230
    init_m_kg: 0.284
    irf_%: 0
    c_max_mol/m3: 0.0005
    De_b_m2/s: 1.2e-10
    Kd_b_m3/kg: 40
    De_g_m2/s: 4e-14

  - name: U235
    M_kg/mol: 0.235
    T_1/2_year: 7.04e+08
    conversion_to: Pa231
    init_m_kg: 5.6
    irf_%: 0
    c_max_mol/m3: 0.0005
    De_b_m2/s: 1.2e-10
    Kd_b_m3/kg: 40
    De_g_m2/s: 4e-14

  - name: U236
    M_kg/mol: 0.236
    T_1/2_year: 2.34e+07
    conversion_to: Th232
    init_m_kg: 4.23
    irf_%: 0
    c_max_mol/m3: 0.0005
    De_b_m2/s: 1.2e-10
    Kd_b_m3/kg: 40
    De_g_m2/s: 4e-14

  - name: U238
    M_kg/mol: 0.238
    T_1/2_year: 4.47e+09
    conversion_to: U234
    init_m_kg: 783
    irf_%: 0
    c_max_mol/m3: 0.0005
    De_b_m2/s: 1.2e-10
    Kd_b_m3/kg: 40
    De_g_m2/s: 4e-14

  - name: others
    M_kg/mol: 0.1
    T_1/2_year: inf
    init_m_kg: 0
    irf_%: 0
    c_max_mol/m3: inf
    De_b_m2/s: 1.2e-10
    Kd_b_m3/kg: 24
    De_g_m2/s: 1.2e-13