ZnS.ppi
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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
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