Cuedta.ppi
|
|
|
SPECIATION
Database "minteq.v4.dat" # for EDTA
calculationType ht1
calculationMethod 1
mainSpecies Cu
xmin 2.0 # pH range
xmax 10.0
ymin -85.0 # O2(g) range
ymax 0.0
resolution 300
PLOT
plotTitle "Cu-EDTA<br>(using minteq.v4.dat)"
xtitle pH
pymin -10.0
yscale pe # use pe scale even though redox controlled by PO2(g)
domain F # omit domain boundary lines
extraText "extratextCuedta.dat"
CHEMISTRY
PHASES
H2(g) # not in minteq.dat
H2 = H2
log_k -3.150 # solubility of H2(g)
delta_h -1.759 kcal
include 'ht1.inc' # standard hunt and track file
SOLUTION 1 # initial solution calculation
temp 25
pH 1.8 # start ing pH below minimum pH cos adding NaOH
units mol/kgw
Cu 1e-4 # total concentrations
Edta 1e-4
Na 1e-1 # background electrolyte
Cl 1e-1 #
END
USE solution 1 # faster split into two simulations as here
# - only loops on last simulation by default
EQUILIBRIUM_PHASES 1
Fix_H+ -<x_axis> NaOH 10 # negative sign converts pH to logH
-force_equality true
O2(g) <y_axis> 0.1 # limit to 0.1 mol O2 max
Atacamite 0 0 # possible minerals
Cu(OH)2 0 0
CuMetal 0 0
Cuprite 0 0
Melanothallite 0 0
Nantokite 0 0
Tenorite 0 0
END
|
|