Pb.ppi
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SPECIATION
jobTitle "Lead speciation"
Database llnl.dat # large database
calculationType ht1 # hunt and track approach
calculationMethod 1
mainSpecies "Pb"
xmin 2.0
xmax 10.0
ymin -80.0
ymax 0.0
resolution 500 # tracks on a 500 x 500 grid
PLOT
plotTitle "Pb-S-C-P-H<sub>2</sub>O<br>(two simulations)"
xtitle pH
ytitle "log <i>f</i> O<sub>2</sub>(g)"
labelColor blue # colour of the field labels
info nd blue # colour of the info and filename
extraText "extratextPb.dat"
CHEMISTRY
include 'ht1.inc'
# first simulation - initial solution calculation only
SOLUTION 1
temp 25
pH 1.8
units mol/kgw
Pb 5e-4
S 2e-4
F 5e-4
P 1e-5
Na 1e-1
Cl 1e-1 charge
END
# second simulation - equilibrate
USE solution 1 # saves recalculation
EQUILIBRIUM_PHASES 1
Fix_H+ -<x_axis> NaOH 10
-force_equality true
O2(g) <y_axis> 0.1
CO2(g) -3 1.0
Pb(H2PO4)2 0 0 # these minerals were obtained by first running with resolution = 1 & PRINT -true
Pb4O(PO4)2 0 0 # this special case produces a list of all the possible mineral species
Pyromorphite-OH 0 0
Pb3(PO4)2 0 0
PbHPO4 0 0
Galena 0 0
#Ice 0 0
Matlockite 0 0
PbFCl 0 0
#Halite 0 0
Cotunnite 0 0
Paralaurionite 0 0
S 0 0
Pb 0 0
PbF2 0 0
C 0 0
Litharge 0 0
Massicot 0 0
Nahcolite 0 0
Cerussite 0 0
Anglesite 0 0
Phosgenite 0 0
Pb2Cl2CO3 0 0
Mirabilite 0 0
Pb4Cl2(OH)6 0 0
Thenardite 0 0
Natron 0 0
Na2CO3:7H2O 0 0
Thermonatrite 0 0
Na2CO3 0 0
Lanarkite 0 0
PbCO3.PbO 0 0
Na 0 0
Plattnerite 0 0
Pyromorphite 0 0
Pb3SO6 0 0
Na2O 0 0
Pb4SO7 0 0
Na3H(SO4)2 0 0
Hydrocerussite 0 0
Minium 0 0
Burkeite 0 0
END
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