Pia Lois
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Posts posted by Pia Lois
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Thanks Brian,
Its just what happend. I'll try my simulations again.
Regards
Pía
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Hi Brian,
I suppossed that if i changed the order, the result should be the same, but it doesn´t. If i arrange the reactant, sometimes the program doesn´t converge. I dont know if a problem on my computer or if there ir a correct order on reactants.
Thanks
Pía
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Hi,
I have noted a problem with my simulations using react. Im trying to simulate a dissolution of minerals in a short period of time. If i change the order or kinetic minerals the results are differents. If i put first the magnetite with the fasted rate, the program converge, but it almost didnt react. If i put first other mineral, like albite with a lower rate, the program didn´t finish the path. One of my objectives is look on the speciation of Fe, for that reason i add the Fe(0) like Fe(aq) at the thermo.dat (Ive attached script and the data base too).
Could you help me? Which order is the correct on reactants?
Regards
Pía Lois
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It will surely work!. It's a good first step to start.
Thanks!
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I am looking for geochemical data on stainless steel. Is anyone aware of data on stainless steel that I could use?
I dont know how include the steel on my system, because de Fe in this, is on elemental state. Oxidation state=0. Any help to do this?
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Im looking for the same. Do you know how can i include the steel in my sistem? Because there the Fe its in elemental state, oxidation O.
I need help for that.
Thanks!
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I have tried just with the minerals that have a slower kinetic rate and the program converged, but.. how can add the gypsum and pyrite without make the system colapse in one point before the 12 minutes?
thanks for your responses and advices.
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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
Problems with size of data
in The Geochemist's Workbench
Posted
Hi,
Im troubling with the size of archives that react is generating. I cant open the txt with notepad and the gtplot is so slow. I change the dxprint and dxplot parameters, but the archives are still too big (~8 Gb). There is another way to reduce the size of archives? (I limited the output to aqueous species and mineral saturation state).
Thanks for your help!
Pia