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105 lines
1.3 KiB
Plaintext
105 lines
1.3 KiB
Plaintext
SOLUTION 1
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pH 7 charge
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Na 1
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Cl 1
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Ca 1
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C 2
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END
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CALCULATE_VALUES
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TOTAL_C
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-start
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10 save TOT("C")
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-end
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END
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EQUILIBRIUM_PHASES 1
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CO2(g) -2
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Dolomite 0
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END
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REACTION 1
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HCl 1
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0.1 mmol
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END
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GAS_PHASE
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-fixed_volume
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N2(g) 1.2
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END
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KINETICS
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Calcite
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-tol 1e-8
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-m0 3.e-3
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-m 3.e-3
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-parms 50 0.6
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END
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SOLID_SOLUTION
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Sulfate
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-comp Anhydrite 1.0
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-comp Barite 1.0
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END
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RUN_CELLS
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-cell 1
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SELECTED_OUTPUT
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-file multi_punch_1.sel
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-reset false
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-sim
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-state
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-solution
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-dist
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-time
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-step
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-pH
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-pe
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-reaction
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-temperature
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-alkalinity
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-ionic_strength
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-water
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-charge_balance
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-percent_error
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-totals Na Ca
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-molalities Na+ HCO3-
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-activities Ca+2 CO3-2
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-equilibrium_phases CO2(g) dolomite
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-saturation_indices Halite
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-gases N2(g)
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-kinetics Calcite
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-solid_solutions Anhydrite Barite
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-calculate_values TOTAL_C
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-inverse false
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SELECTED_OUTPUT 2
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-file multi_punch_2.sel
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-si Halite Calcite
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USER_PUNCH 20
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-heading Dummy
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10 PUNCH "Dummy"
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END
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USER_PUNCH 2
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-heading DUMMY_1 DUMMY_2
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10 PUNCH "Dummy1", "Dummy2"
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RUN_CELLS
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-cell 1
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SELECTED_OUTPUT 1
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-active false
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END
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RUN_CELLS
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-cell 1
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SELECTED_OUTPUT 1
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-active true
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END
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SOLUTION 2
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pH 7 charge
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END
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SOLUTION 3
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pH 7 charge
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Na 1
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Cl 1
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END
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INVERSE_MODELING
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-solution 2 3
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-phases
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Halite
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SELECTED_OUTPUT 3
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-reset false
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-file multi_punch_3.sel
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END
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RUN_CELLS
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-cell 1 |