> 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
Please note that some U.S. Geological Survey (USGS) information accessed through this page may be preliminary in nature and presented prior to final review and approval by the Director of the USGS. This information is provided with the understanding that it is not guaranteed to be correct or complete and conclusions drawn from such information are the sole responsibility of the user.
Any use of trade, product, or firm names in this publication is for descriptive purposes only and does not imply endorsement by the U.S. Government.
The URL of this page is:
Last modified: $Date: 2005-09-13 21:04:21 -0600 (Tue, 13 Sep 2005) $
Visitor number 1420 since Jan 22, 1998.