Mn.ppi
|
|
|
# Mn predominance diagram for aqueous species only - CO2 included
SPECIATION
jobTitle "Mn-CO2-H2O"
calculationType ht1
calculationMethod 1
mainSpecies "Mn" # diagram for Mn
xmin 2.0 # pH range 2-10
xmax 10.0
ymin -90.0 # log f(O2(g)) range -90 to 0
ymax 0.0
resolution 300 # track on a 300 x 300 grid
PLOT
plotTitle "Mn-CO<sub>2</sub>-H<sub>2</sub>O<br>(CO<sub>2</sub>(g) but no minerals)"
xtitle pH
yscale pe # drive redox with fO2(g) but use pe for plot yscale
pymin -15 # force plot y min at pe = -15
extraText "extratextMn.dat"
CHEMISTRY
include 'ht1.inc' # standard predominance calculating code
# first simulation - initial solution calculation
SOLUTION 1
Temp 20
pH 1.8 # initial pH is less than pHmin so adding NaOH should always work
units mol/kgw
Mn 1e-2 # total Mn
Na 1e-1 # background electrolyte
Cl 1e-1 charge
END
# second (final) simulation
USE solution 1
EQUILIBRIUM_PHASES 1
Fix_H+ -<x_axis> NaOH # add NaOH to get to specified logH
-force_equality true
O2(g) <y_axis>
CO2(g) -3.5 1 # NB no minerals specified
END
|
|