TITLE Celestite TST dissolution
RUNTIME
time_units seconds
timestep_max 10000
timestep_init 0.001
correction_max 2.0
database ../../CrunchDatabase_ThermoChimie_v12a.dbs
master_variable Sr+2
screen_output 100
END
DISCRETIZATION
distance_units meters
xzones 5 1
END
OPTIONS
Diffusion_Only true
END
OUTPUT
time_units days
spatial_profile 10e0
time_series_interval 1
time_series_at_node Kinetics.out 1 1 1
plot_vtkfile false
plot_xyzfile false
time_series_print all false
time_series_print pH true
time_series_print tot_aqueous true
time_series_print si_minerals true
END
TEMPERATURE
set_temperature 25.0
END
INITIAL_CONDITIONS
Batch 1-5 1-1 1-1
END
BOUNDARY_CONDITIONS
Closed Batch 0-0 1-1 1-1
PRIMARY_SPECIES
H2O
H+
Na+
Cl-
SO4-2
Sr+2
O2
END
SECONDARY_SPECIES
OH-
END
MINERALS
Celestite
-rate(25C) -7.66
-activationenergy 8.1260
-freeenergydependence 1 1 1
END
Condition Batch
units mmol/kg
temperature 25.0
pH 7
Cl- 100
SO4-2 1e-20
Na+ charge
Sr+2 1e-20
O2 1e-6
Celestite 0.045455 specific_surface_area 0.06 threshold 0.0001
set_porosity 0.9
END