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75 lines
2.0 KiB
Plaintext
75 lines
2.0 KiB
Plaintext
TITLE Example 14.--Transport with equilibrium_phases, exchange, and surface reactions
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***********
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PLEASE NOTE: This problem requires database file wateq4f.dat!
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Arsenic data of Archer and Nordstrom (2002) included in
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wateq4f.dat (PHREEQC Version 2.8).
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Results differ from WRIR 99-4259 because of revised data.
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***********
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SURFACE_SPECIES
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Hfo_wOH + Mg+2 = Hfo_wOMg+ + H+
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log_k -15.
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Hfo_wOH + Ca+2 = Hfo_wOCa+ + H+
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log_k -15.
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SOLUTION 1 Brine
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pH 5.713
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pe 4.0 O2(g) -0.7
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temp 25.
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units mol/kgw
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Ca .4655
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Mg .1609
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Na 5.402
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Cl 6.642 charge
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C .00396
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S .004725
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As .05 umol/kgw
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END
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USE solution 1
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EQUILIBRIUM_PHASES 1
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Dolomite 0.0 1.6
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Calcite 0.0 0.1
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SAVE solution 1
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# prints initial condition to the selected-output file
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SELECTED_OUTPUT
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-file ex14.sel
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-reset false
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-step
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USER_PUNCH
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-head m_Ca m_Mg m_Na umol_As pH
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10 PUNCH TOT("Ca"), TOT("Mg"), TOT("Na"), TOT("As")*1e6, -LA("H+")
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END
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PRINT
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# skips print of initial exchange and initial surface to the selected-output file
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-selected_out false
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EXCHANGE 1
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-equil with solution 1
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X 1.0
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SURFACE 1
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-equil solution 1
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# assumes 1/10 of iron is HFO
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Hfo_w 0.07 600. 30.
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END
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SOLUTION 0 20 x precipitation
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pH 4.6
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pe 4.0 O2(g) -0.7
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temp 25.
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units mmol/kgw
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Ca .191625
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Mg .035797
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Na .122668
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Cl .133704
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C .01096
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S .235153 charge
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EQUILIBRIUM_PHASES 0
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Dolomite 0.0 1.6
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Calcite 0.0 0.1
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CO2(g) -1.5 10.
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SAVE solution 0
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END
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PRINT
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-selected_out true
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ADVECTION
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-cells 1
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-shifts 200
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-print_frequency 20
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END
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