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