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aquifer_equilibrium.i
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# Finds the equilibrium free molality of SiO2(aq) when in contact with QuartzLike at 50degC
[UserObjects]
[definition]
type = GeochemicalModelDefinition
database_file = "/projects/moose/modules/geochemistry/database/moose_geochemdb.json"
basis_species = "H2O Ca++ Cl- SO4-- H+ HCO3-"
equilibrium_minerals = "Calcite"
[]
[]
[TimeIndependentReactionSolver]
model_definition = definition
# geochemistry_reactor_name = reactor
charge_balance_species = "Cl-"
# swap_out_of_basis = "SiO2(aq)"
# swap_into_basis = Calcite
constraint_species = "H2O Ca++ Cl- SO4-- H+ HCO3-"
constraint_value = " 1.0 0.000663673 0.000868756 0.000234234 8.91251E-09 0.000199944" # amount of QuartzLike is unimportant (provided it is positive). 396.685 is used simply because the other geotes_2D input files use this amount
constraint_meaning = "kg_solvent_water bulk_composition bulk_composition bulk_composition activity bulk_composition"
constraint_unit = " kg moles moles moles dimensionless moles"
temperature = 13
prevent_precipitation = Calcite
ramp_max_ionic_strength_initial = 0 # max_ionic_strength in such a simple problem does not need ramping
add_aux_pH = false # there is no H+ in this system
precision = 5
[]
[Postprocessors]
[bulk_moles_Calcite]
type = PointValue
point = '0 0 0'
variable = 'bulk_moles_Calcite'
[]
[]
[Outputs]
csv = true
[]