Alspeciation.ppi

SPECIATION
  jobTitle                             "log speciation vs pH using 'species' plot type"
  calculationType                      species             # plots concn/% of all species containing the main species
  calculationMethod                    1
  mainSpecies                          Al
  xmin                                 -12.0
  xmax                                 -2.0
  resolution                           100
PLOT
  plotTitle                            "Al-H<sub>2</sub>O species vs pH<br>(using logspeciesvsph.inc)"
  ytitle                               "log concentration (mol/kgw)"

CHEMISTRY

include 'logspeciesvsph.inc'           # this controls exactly what is plotted (see the system directory for the file)
                                       # must 'punch' x-axis, y-axis pairs
PHASES
Fix_H+
   H+ = H+
   log_k 0.0
SOLUTION 1
   temp      10
   pH        7                         # pH for initial solution calculations only. Changed by <x_axis>
   units     mol/kgw
   Na        0.1 charge                # background electrolyte
   Cl        0.1
   Al        1e-3                      # total concn of element
END

USE solution 1
EQUILIBRIUM_PHASES
   O2(g)     -0.677  0.1
   Fix_H+  <x_axis>  NaOH 10           # controls logH from xmin to xmax
     -force_equality true
   Al(OH)3(a)  0  0                    # this is the only mineral considered. Add others as desired.
END