titration.ppi
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SPECIATION
calculationType custom
calculationMethod 1
selectedOutputLines auto # get as many lines as there are -> out file
PLOT
plotTitle "Acid titration of 50 mL of groundwater<br>(using REACTION keyword)"
xtitle "ml 0.16M HCl"
ytitle pH
customXcolumn ml
pxmax 3
lines pH Gran # from selected output
points Gran # from selected output
labelSize 0 # suppress curve labels inside plot
lineColor blue
pointColor green
extraText extratexttitration.dat
CHEMISTRY
SELECTED_OUTPUT
-reset false
SOLUTION 1 # Groundwater # the groundwater to titrate with HCl
pH 7.05
units mg/L
# temp 10.5
water 0.050 kg
Na 6
K 0.6
Ca 124
Mg 1.6
Cl 11
Alkalinity 348 as HCO3
S(6) 3 as SO4
Si 5.8
REACTION 1 Add HCl to the soln
# 1 mL of 0.16M HCl # this takes into account the dilution since includes water
HCl 0.16e-3
H2O 55.5e-3
3 in 50 steps
USER_PUNCH
-headings ml pH water Gran
10 VT = TOT("water")*1000 # assumes density = 1
20 V = VT-50
30 pH = -la("H+")
40 Gran = VT*(10^-pH)*30
50 punch V, pH, VT, Gran
GAS_PHASE
-fixed_volume
-volume 0.01 # 10 mL gas + 50 mL solution
-equilibrate 1 # equilibrate with solution 1 to begin with - this leads to some initial degassing
CO2(g)
END
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