I'm would really appreciate some help with some modeling I am trying to do using React. I have a 'solid' made up of known amounts of minerals including pyrite and sphalerite, and I'd like to react this 60 times with 200 mL of 6 uM CaSO4 having a pH of 5.5 (i.e., adding 200 mL of this solution 60 times to my 'solid'). I would like to remove the solutions generated each time I react the solution and be able to plot their compositions. I would like to do this to compare the calculated solution compositions to measured leachate compositions.
From my reading of the manual and 'Geochemical Reaction Modeling' I think the best way to go about this is defining a pore fluid in initial equilibrium with my 'solid'. pick up the reacted fluid (as the pore water) and then flush 200 mL of my 6 uM CaSO4 solution through 60 times. I have attached an input file I have developed, but which I have had serious problems with in running in React. If I can be put in the right direction as to how to fix this to get it to run, that would be great.
Also, I would like to model the sorption of Zn++ onto any Fe(OH)3(ppd) that forms. I think this should be done using the surface_data = FeOH.dat, etc. file. I have added this in my input file, but am not sure if it is appropriate.
Finally, I would like to measure Cd in the solution, but this is neither in the basis nor, I presume, specified as a compenent in any of the minerals that are known to contain it (sphalerite and wurtzite). Is there any way to modify the database to account for Cd?
Thank you,
Karen H-E
KHE_react_inputfile_5Oct2010.doc
