ZnS.ppi

SPECIATION
  jobTitle                             "Zn-C-H<sub>2</sub>O"
  calculationType                      ht1
  calculationMethod                    1
  mainSpecies                          Zn
  xmin                                 2.0
  xmax                                 10.0
  ymin                                 -80.0
  ymax                                 0.0
  resolution                           200

PLOT
  plotTitle                            "Zn-S-C-H<sub>2</sub>O"
  xtitle                               pH
  ytitle                               "log <i>f</i> O<sub>2</sub>(g)"
  extraText                            "extratextZnS.dat"


CHEMISTRY

include 'ht1s.inc' 

PHASES
Hydrozincite
   Zn5(OH)6(CO3)2 + 10H+ = 5Zn+2 + 2CO2 + 8H2O
   log_k 45.0 #9.0
   -delta_H -256.5 kJ  #Preis & Gamsjager 2001

SOLUTION 1
   Temp      20
   pH        1.8                                                     # start at pH less than pHmin for Fix_H+
   units     mol/kgw
   Zn        1e-1                                                    # total Zn
   S(6)      1e-1                                                    # also redox sensitive
   Na        1e-1
   Cl        1e-1 charge
END

USE solution 1
EQUILIBRIUM_PHASES 1
   Fix_H+     -<x_axis> NaOH
    -force_equality true
   O2(g)      <y_axis>  0.1
   CO2(g)     -3        1.0

   Sphalerite                          0 0                           # minerals that could ppt
   Wurtzite                            0 0
   ZnS(a)                              0 0
   Halite                              -10 1 dis                     # to maintain some Na at all times
   Sulfur                              0 0
   ZnO(a)                              0 0
   Zincite(c)                          0 0
   Zn(OH)2-e                           0 0
   Zn(OH)2-g                           0 0
   Zn(OH)2-b                           0 0
   Zn(OH)2-c                           0 0
   Zn(OH)2-a                           0 0
   ZnCl2                               0 0
   Zn2(OH)3Cl                          0 0
   ZnCO3:H2O                           0 0
   Smithsonite                         0 0
   Nahcolite                           0 0
   ZnMetal                             0 0
   Natron                              0 0
   Goslarite                           0 0
   Thermonatrite                       0 0
   Bianchite                           0 0
   ZnSO4:H2O                           0 0
   Thenardite                          0 0
   Mirabilite                          0 0
   Zn5(OH)8Cl2                         0 0
   Zincosite                           0 0
   Zn2(OH)2SO4                         0 0
   Trona                               0 0
   Zn4(OH)6SO4                         0 0
   Zn3O(SO4)2                          0 0
END