#=========================== equation of state ================================
EOS WATER
  DENSITY CONSTANT 1000
/

#=========================== numerical methods ================================
NUMERICAL_METHODS TRANSPORT

  NEWTON_SOLVER
    NUMERICAL_JACOBIAN
  /

  LINEAR_SOLVER
    SOLVER DIRECT
  /
END

#=========================== regression =======================================
REGRESSION
  CELL_IDS
    1
    2
  /
END

#=========================== discretization ===================================
GRID
  TYPE STRUCTURED
  NXYZ 2 1 1
  BOUNDS
    0.d0 0.d0 0.d0
    2.d0 1.d0 1.d0
  /
END

#=========================== fluid properties =================================
FLUID_PROPERTY
  DIFFUSION_COEFFICIENT 0.d0
END

#=========================== material properties ==============================
MATERIAL_PROPERTY soil1
  ID 1
  POROSITY 0.25d0
  TORTUOSITY 1.d0
END

#=========================== output options ===================================
OUTPUT
  PERIODIC_OBSERVATION TIMESTEP 1
  PRINT_COLUMN_IDS
  MASS_BALANCE
END

#=========================== time =============================================
TIME
  FINAL_TIME 21.d0 day             
  INITIAL_TIMESTEP_SIZE 1.d0 s
  MAXIMUM_TIMESTEP_SIZE 10.d0 h
END

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

REGION cell1
  COORDINATE 0.5 0.5 0.5
END

REGION cell2
  COORDINATE 1.5 0.5 0.5
END

#=========================== observations =====================================
OBSERVATION
  REGION cell1
END

OBSERVATION
  REGION cell2
END

#=========================== constraints ======================================
CONSTRAINT initial
  CONCENTRATIONS
    CH2O(s)    1.1d2  T
    HCO3-      9.37d-5 T
    NH4+       1.01d-4 T
    HPO4--     1.d-10 T
    HS-        1.d-10 T    
    H+         2.1379d-7 T    
    O2(aq)     4.06d-4 T
    BIOMASS    1.d-5 T
    A(aq)      1.d-10 T
    C47-DONOR  1.d-18 T
    C31-DONOR  8.62d-6 T
    C22-DONOR  8.62d-6 T
  /
  MINERALS
    A(s) 1.d0 1.d0
  /
  IMMOBILE
    Carbon_Consumption 1.d-20
  /
END

CONSTRAINT initial2
  CONCENTRATIONS
    CH2O(s)    1.1d2  T
    HCO3-      9.37d-5 T
    NH4+       1.01d-4 T
    HPO4--     1.d-10 T
    HS-        1.d-10 T    
    H+         2.1379d-7 T    
    O2(aq)     4.06d-4 T
    BIOMASS    1.d-5 T
    A(aq)      1.d-10 T
    C47-DONOR  1.d-18 T
    C31-DONOR  8.62d-6 T
    C22-DONOR  8.62d-6 T
  /
  MINERALS
    A(s) 0.5d0 1.d0
  /
  IMMOBILE
    Carbon_Consumption 1.d-20
  /
END

#=========================== transport conditions =============================
TRANSPORT_CONDITION initial1
  TYPE ZERO_GRADIENT
  CONSTRAINT_LIST
    0.d0 initial
  /
END

TRANSPORT_CONDITION initial2
  TYPE ZERO_GRADIENT
  CONSTRAINT_LIST
    0.d0 initial2
  /
END

#=========================== initial conditions ===============================
INITIAL_CONDITION
  TRANSPORT_CONDITION initial1
  REGION cell1
END

INITIAL_CONDITION
  TRANSPORT_CONDITION initial2
  REGION cell2
END

#=========================== strata ===========================================
STRATA
  REGION all
  MATERIAL soil1
END

#=========================== chemistry ========================================
CHEMISTRY
  PRIMARY_SPECIES
    CH2O(s)
    HCO3-
    NH4+
    HPO4--
    HS-
    H+
    O2(aq)
    BIOMASS
    A(aq)
    C47-DONOR
    C31-DONOR
    C22-DONOR
  /
  SECONDARY_SPECIES
    OH-
    CO3--
    CO2(aq)
    NH3(aq)
  /
  IMMOBILE_SPECIES
    Carbon_Consumption
  /
  DECOUPLED_EQUILIBRIUM_REACTIONS
    HS-
  /
  PASSIVE_GAS_SPECIES
    CO2(g)
  /

  MINERALS
    A(s)
  /

  MINERAL_KINETICS
    A(s)
      RATE_CONSTANT 0.d0
    /
  /

  DATABASE ../../../database/lambda.dat

  LOG_FORMULATION
  ACTIVITY_COEFFICIENTS OFF
  OUTPUT
    TOTAL
    ALL
    CO2(aq)
    CO2(g)
    PH
  /
