> As a test case I'm trying to simulate the effects of sulfate reduction due to sulfate reducing bacteria on acid mine drainage. The equation sometimes put forth as occurring is > SO4-2 + 2CH2O = 2HCO3- + HS- + H+ >Where the CH2O represents some organic material. Using the REACTION keyword I'm taking out sulfate, and adding bicarbonate, bisulfide, and protons. Since it's a redox reaction that's why I was concerned about charge. If the program ignores charges, then for example if I specify sulfur as participating in the reaction, how does it know if I'm talking about sulfate or sulfide? Incidentally, when I do put them in as SO4-2, HCO3-, HS-, and H+, it does seem to give reasonable results. Your REACTION should include the moles of elements that enter or leave the aqueous phase. The reaction should only include the organic carbon that is reacted into the solution. The sulfur is already in the aqueous phase and should not be included in the reaction. REACTION n CH2O 1.0 xxx mmol Thermodynamics will determing the electron acceptors, the pH, and the distribution of the carbonate species. David David Parkhurst (dlpark@xxxxxxxx) U.S. Geological Survey Box 25046, MS 413 Denver Federal Center Denver, CO 80225 Project web page: http://wwwbrr.cr.usgs.gov/projects/GWC_coupled
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