Hi,
I have been working with react, trying to simulate a batch test. It just take 12 minutes. For these i calculate the interaction areas of minerales, because they passed for a milling and its final size is around 110 um and the water basis is from chemical analysis ICP and IC. I use some reaction rates from other works, and my results arent that i was expected.
How it test isn´t open i didn´t buffered the O2 and i put a inicial condition expecting that it consume with Fe++. But, i can see that the fO2 is increasing and the pH the same, and some minerales have a negative area reacted, i can´t understand why it happen, its not logical i think. The reaction finished before the 12 minutes to.
If you could help me, it would be great because i have try many possibilities and nothing have worked.
Here is the code:
> time start = 0 min, end = 12 min
> temperature = 25 C
> H2O = 1 kg
> Ca++ = 122 mg/l
> Fe++ = .002 mg/l
> Mg++ = 16.33 mg/l
> Sr++ = .84 mg/l
> K+ = 11.01 mg/l
> Na+ = 37.29 mg/l
> Li+ = .01 mg/l
> F- = .16 mg/l
> Cl- = 108.33 mg/l
> balance on Cl-
> NO3- = 7.13 mg/l
> HCO3- = 144.7 mg/l
> SO4-- = 240 mg/l
> pH = 7.204
> SiO2(aq) = 1e-4 mg/l
> Al+++ = 1e-4 mg/l
> O2(aq) = 8.7 mg/l
> kinetic Magnetite 6 g rate_con = 1.659e-11 surface = 59.17
> kinetic "Sanidine high" 87.35 g rate_con = 6.3097e-22 surface = 107.49
> kinetic "Albite high" 303.6 g rate_con = 1.122e-11 surface = 105.43
> kinetic Anorthite 54.6 g rate_con = 3.8904e-12 surface = 99.7
> kinetic Pyrophyllite 32.2 g rate_con = 3.89e-15 surface = 131335
> kinetic Clinochl-14A 37.35 g rate_con = 3.01e-13 surface = 103.44
> kinetic Gypsum .1 g rate_con = .00162181 surface = 119.641
> kinetic Phlogopite 67.55 g rate_con = 2.818e-13 surface = 89.85
> react .15 mg/l of Fe++
> dump
> printout surfaces = short gases = short basis = short orig_bas = short elements = short reactions = short
> delxi = .1 linear
> delQ = .01
> epsilon = 5e-11
> itmax0 = 1000
> itmax = 100