SbS.ppi

SPECIATION
  jobTitle                 "Sb-O2-H2O"
  Database                 llnl.dat  # has Sb data
  calculationType          ht1
  calculationMethod        1
  mainSpecies              "Sb"
  xmin                     5.0
  xmax                     10.0
  ymin                     -85.0
  ymax                     0.0
  resolution               400   # need an even higher resolution to get smooth low-angled boundaries

PLOT
  plotTitle                "Sb-S-O<sub>2</sub>-CO<sub>2</sub>-H<sub>2</sub>O<br>(demonstrates increased weighting of Fix_H+)"
  xtitle                   pH
  ytitle                   "log <i>f</i> O<sub>2</sub>(g)"
  extraText                "extratextSbS.dat"

CHEMISTRY

# first simulation

include 'ht1s.inc'   # adds "...(s)" for mineral phases to avoid confusion with aq species

PHASES

Fix_H+
   H+ = H+
   log_k 0.0

SOLUTION 1 # Kerfoot, GWB 15 Dec 2005
   Temp      18
   pH        3.00
   units     mol/kgw
   Sb        3e-7  # total Sb
   S(6)      4.4e-4
   Na        0.0027
   K         0.00020
   Mn        1e-4
   Ca        9.93e-4
   Fe(2)     1e-4
   Cl        5e-5
END


# second simulation
USE solution 1
EQUILIBRIUM_PHASES 1
   Fix_H+  -<x_axis> NaOH
     -force_equality true
   O2(g)    <y_axis>  0.1
   CO2(g)   -3.523    1.0

  Pyrite              0 0
  Stibnite            0 0
  Sb                  0 0
  Sb(OH)3             0 0
  S                   0 0
  Fe(OH)2             0 0
  Mn(OH)2(am)         0 0
  Sb2O3               0 0
  Fe(OH)3             0 0
  Sb2O4               0 0
  Sb4O6(cubic)        0 0
  Rhodochrosite       0 0
  Siderite            0 0
  Calcite             0 0
  Sb4O6(orthorhombic) 0 0
  Sb2O5               0 0
END