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