Pia Lois Posted July 20, 2013 Share Posted July 20, 2013 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 Quote Link to comment Share on other sites More sharing options...
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