> I want to model 1-D transport (along a flowpath) and simulate kinetic or equilibrium redox-reactions with "dom", just as I 'm used to do with organic matter or pyrite. Now I want to let "dom" reduce Fe(OH)3 consistents in the sediment (see reaction 5-7 where CH2O = "dom" ):  4Fe(OH)3(s) + 12H+ + 4e- 4Fe2+ + 12H2O  CH2O(aq) + 2H2O 4e- + 5H+ + HCO3-  4Fe(OH)3(s) + CH2O(aq) + 7H+ 4Fe2+ + 10H2O + HCO3- > Can I do this with reaction - kinetics - solution_species? Here is a simple example of an approach to your problem, as I understand it. "Dom" is defined. Here there is only the single Dom aqueous species, but you could develop a more complex model for aqueous Dom. The Dom reacts kinetically with a first order rate constant of .1 per day, which decreases the amount of Dom and increases the amount of carbon in solution. The carbon reacts initially with Fe(OH)3 and eventually methane is also produced. David SOLUTION_MASTER_SPECIES Dom Dom 0 12 12 SOLUTION_SPECIES Dom = Dom log_k 0 delta_h 0 kJ SOLUTION 0 Na 1 charge C(4) 1 pH 7 Dom 1 EQUILIBRIUM_PHASES Fe(OH)3(a) KINETICS React_DOM -formula CH2O 1.0 Dom -1.0 -m .001 -m0 .001 -steps 8640 86400 864000 RATES React_DOM 10 k = .1/(3600*24) # .1 per day 20 rate = k*TOT("Dom") 30 moles = rate * TIME 40 save moles END David Parkhurst (dlpark@xxxxxxxx) U.S. Geological Survey Box 25046, MS 413 Denver Federal Center Denver, CO 80225 Project web page: https://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 1771 since Jan 22, 1998.