maki Posted October 17, 2014 Share Posted October 17, 2014 Hi I have been trying to calculate kinetic pyrite oxidation. My question is as follows. When I set the kinetic pyrite oxidation in Reactants pane, which should I use “Kinetic -->Mineral...” or “Kinetic --> Redox reaction”? To begin with, I used “Kinetic Mineral... (Pyrite)” by inputting surface area and rate constant derived from some references. I think the eq.1 reaction was automatically used in the thermodynamic database of GWB. Pyrite + H2O = Fe++ + 2*HS- + 0.5*O2(aq) -------------------------eq.1 No relevant results, however, were obtained (pH value increased, dissolution of pyrite didn’t happened so much, and etc), although high concentration of O2(aq) was provided. Secondly, I tried to set eq.1 in “Kinetic redox” without surface area, and with the modified rate constant from mol/cm2 sec to kg/mol sec. Pyrite + 3.5*O2(aq) + H2O = 2*H+ + 2*SO4-- + Fe++ --------------eq.2 The calculation worked out than anticipated. If possible, I’d like to use eq.2, but I am afraid that the second procedure is irrelevant and incorrect. Is the second procedure using “Kinetic Redox reaction” for pyrite oxidation correct? It will be grateful if you could give me any better way to describe pyrite oxidation. Best regards, Maki Quote Link to comment Share on other sites More sharing options...
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