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Predominantly ferric iron in low pH solution in my output - kinetics?
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Topic: Predominantly ferric iron in low pH solution in my output - kinetics? (Read 2472 times)
Gaulty
Contributor
Posts: 9
Predominantly ferric iron in low pH solution in my output - kinetics?
«
on:
September 11, 2015, 09:06:19 PM »
Hi there,
I run the following simulation, but in the output my pH 3.3 solution that is entirely Fe(3). This seems unrealistic. Is this because I equilibrated with O2? I would still assume that given the slow kinetics of O2 oxidation at low pH I would still have predominantly Fe2+. Perhaps I have to decouple the Fe2/Fe3 redox couple since Phreeqc doesn't take kinetics into account in my simulation? Thank you for your assistance.
SOLUTION_SPREAD
-units mg/l
pH Alkalinity Cl S(6) Al Ba Ca Mg K Na Fe(2) Fe(3) Number
charge
2.6 0 19 4000 119 0.003 370 375 0.76 8.8 178 1
8.4 179 1.7 616 0.02 0.005 207 62.4 3.14 2.69 0 0.01 2
6.4 70.5 0.1 3.1 0.15 0.01 24.2 3.9 0.6 1.09 0.31 3
5.6 0.6 0.17 0.025 0.017 0.02 4
3.5 0 1.7 1428 13.7 0.007 247 125 3.1 6.2 48 5
4.3 0 4 2000 13.9 0.13 446 181 1.99 4.25 9.58 6
MIX 1 2014 scenario 1
1 0.1
2 0.02
3 0.09
4 0.79
END
USE mix 1
EQUILIBRIUM_PHASES 1 atmosphere
Al(OH)3(a) 0 0
Barite 0 0
Calcite 0 0
Co2(g) -2.5 10
Fe(OH)3(a) 0 0
Gypsum 0 0
O2(g) -0.68 10
SELECTED_OUTPUT 1
-file xxxxxxxxxxxxxxx.xls
-reset true
-distance false
-time false
-reaction false
-totals Alkalinity Cl S(6) Al Ba Ca Mg
K Na Fe(2) Fe(3)
-equilibrium_phases Al(OH)3(a) Barite Calcite Fe(OH)3(a)
Gypsum
-gases CO2(g) O2(g)
END
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dlparkhurst
Top Contributor
Posts: 3631
Re: Predominantly ferric iron in low pH solution in my output - kinetics?
«
Reply #1 on:
September 12, 2015, 03:09:04 AM »
At low pH and oxygenated water, ferric iron will predominate. Hence, the iron ferric oxyhydroxide coating of Cement Creek and the red Animas River after last month's mine blowout in Colorado. You can look at the kinetics of iron oxidation in the literature. There is an example in the PHREEQC manual.
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Predominantly ferric iron in low pH solution in my output - kinetics?