SUBSURFACE

#=========================== output options ===================================
OUTPUT
  FORMAT TECPLOT POINT
  PERIODIC TIME 0.025d0 y
  VARIABLES
    LIQUID_PRESSURE
    GAS_SATURATION
    TEMPERATURE
    THERMODYNAMIC_STATE
  /
  VELOCITY_AT_CENTER
END

#=========================== discretization ===================================
GRID
  TYPE structured
  NXYZ 10 1 1 
  BOUNDS
    0.d0 0.d0 0.d0
    10.d0 1.d0 1.d0
  /
END

#=========================== regression =======================================
REGRESSION
  CELL_IDS
    2
    4
    6
    8
  /
END

#=========================== chemistry ========================================
CHEMISTRY
  PRIMARY_SPECIES
    H+
    HCO3-
  /
  SECONDARY_SPECIES
    OH-
    CO3--
    CO2(aq)
  /
  DATABASE ../../../../database/hanford.dat
  LOG_FORMULATION
  ACTIVITY_COEFFICIENTS TIMESTEP
  OUTPUT
    ALL
    PH
    TOTAL
    ACTIVITY_COEFFICIENTS
  /
END

#=========================== solver options ===================================
NUMERICAL_METHODS FLOW

  TIMESTEPPER
    # end simulation without taking a time step
  #  MAX_STEPS 0
    CFL_GOVERNOR 50.d0
  /

  NEWTON_SOLVER
    USE_EUCLIDEAN_NORM_CONVERGENCE
  /

  LINEAR_SOLVER
    SOLVER DIRECT
  /

END

NUMERICAL_METHODS TRANSPORT

  LINEAR_SOLVER
    SOLVER DIRECT
  /

END

#=========================== fluid properties =================================
FLUID_PROPERTY
  DIFFUSION_COEFFICIENT 1.d-9
END

EOS WATER
  DENSITY CONSTANT 1.d3
  ENTHALPY CONSTANT 1.8890d0
  VISCOSITY CONSTANT 8.904156d-4
END

#=========================== material properties ==============================
MATERIAL_PROPERTY soil
  ID 1
  CHARACTERISTIC_CURVES cc1
  POROSITY 0.25d0
  TORTUOSITY 0.5d0
  ROCK_DENSITY 2650.d0 kg/m^3
  THERMAL_CONDUCTIVITY_DRY 0.6d0 W/m-C
  THERMAL_CONDUCTIVITY_WET 1.9d0 W/m-C
  HEAT_CAPACITY 830.d0 J/kg-C
  PERMEABILITY
    PERM_ISO 1.d-13
  /
/

#=========================== saturation functions =============================
CHARACTERISTIC_CURVES cc1
#  TEST
  SATURATION_FUNCTION VAN_GENUCHTEN
    LIQUID_RESIDUAL_SATURATION 0.1d0
    ALPHA 1.d-4
    M 0.5d0
    MAX_CAPILLARY_PRESSURE 1.d6

  /
  PERMEABILITY_FUNCTION MUALEM
    PHASE LIQUID
    LIQUID_RESIDUAL_SATURATION 0.1d0
    M 0.5d0
  /
  PERMEABILITY_FUNCTION MUALEM_VG_GAS
    PHASE GAS
    LIQUID_RESIDUAL_SATURATION 0.1d0
    GAS_RESIDUAL_SATURATION 1.d-40
    M 0.5d0
  /
/

#=========================== times ============================================
TIME
  FINAL_TIME 0.1d0 y
  INITIAL_TIMESTEP_SIZE 1.d-6 y
  MAXIMUM_TIMESTEP_SIZE 1.d0 y
END

#=========================== regions ==========================================
REGION all
  COORDINATES
    -1.d20 -1.d20 -1.d20
    1.d20 1.d20 1.d20
  /
END

REGION west
  FACE WEST
  COORDINATES
    0.d0 -1.d20 -1.d20
    0.d0 1.d20 1.d20
  /
END

REGION east
  FACE EAST
  COORDINATES
    10.d0 -1.d20 -1.d20
    10.d0 1.d20 1.d20
  /
END

REGION west_half
  COORDINATES
    0.d0 -1.d20 -1.d20
    5.d0 1.d20 1.d20
  /
END

REGION east_half
  COORDINATES
    5.d0 -1.d20 -1.d20
    10.d0 1.d20 1.d20
  /
END

#=========================== flow conditions ==================================
FLOW_CONDITION west
  TYPE
    GAS_PRESSURE dirichlet
    GAS_SATURATION dirichlet
    TEMPERATURE dirichlet
  /
  GAS_PRESSURE 2100000.d0
  GAS_SATURATION 0.2d0
  TEMPERATURE 27.d0
/

FLOW_CONDITION east
  TYPE
    GAS_PRESSURE dirichlet
    GAS_SATURATION dirichlet
    TEMPERATURE dirichlet
  /
  GAS_PRESSURE 1900000.d0
  GAS_SATURATION 0.8d0
  TEMPERATURE 23.d0
/

#=========================== transport conditions =============================
TRANSPORT_CONDITION initial
  TYPE dirichlet_zero_gradient
  CONSTRAINT initial
    CONCENTRATIONS
      H+     1.d-4      T
      HCO3-  1.d-5      T
    /
  /
END

TRANSPORT_CONDITION inlet
  TYPE dirichlet_zero_gradient
  CONSTRAINT inlet
    CONCENTRATIONS
      H+     1.d-8      T
      HCO3-  1.d-3      T
    /
  /
END

#=========================== constraints ======================================

#=========================== condition couplers ===============================
INITIAL_CONDITION
  FLOW_CONDITION west
  TRANSPORT_CONDITION initial
  REGION west_half
END

INITIAL_CONDITION
  FLOW_CONDITION east
  TRANSPORT_CONDITION initial
  REGION east_half
END

BOUNDARY_CONDITION
  FLOW_CONDITION west
  TRANSPORT_CONDITION inlet
  REGION west
END

BOUNDARY_CONDITION
  FLOW_CONDITION east
  TRANSPORT_CONDITION initial
  REGION east
END

#=========================== stratigraphy couplers ============================
STRATA
  REGION all
  MATERIAL soil
END

END_SUBSURFACE
