titration2.ppi
|
|
|
SPECIATION
calculationType custom
calculationMethod 1
xmin 0.0
xmax 3.0E-03
resolution 50
numericTags <titre> = "<x_axis>"
PLOT
plotTitle "Acid titration of 50 mL of groundwater<br>(using MIX keyword)"
xtitle "ml 0.16M HCl"
ytitle pH
lineColor blue
customXcolumn ml
lines pH Gran
points Gran
pointColor green
labelSize 0
extraText "extratexttitration.dat"
CHEMISTRY
SELECTED_OUTPUT
-reset false
TITLE Acid titration of groundwater (assumes no CO2 loss)
SOLUTION 1 # Groundwater
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
SOLUTION 2
units mol/kgw
pH 1 charge # 0.16 mol/kgw HCl
Cl 0.16
END
MIX 1 Add 0.1M HCl to the soln # mix two solutions, the sample and the acid
1 1
2 <titre> # driven by x loop parameters, see above
USER_PUNCH
-headings ml pH VT Gran
1 pH = -la("H+")
10 V = <titre>*1000
11 VT = (0.05 + <titre>)*1000
20 Gran = VT*(10^-pH)*30
30 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
|
|