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Dr. Parkhurst,
 
I am enclosing an input, output and selected_output files I am working on using PHREEQC 2.3.  Don't pay any attention to the "wierd" chemistry described in the files, these are test files for an inverse program I have written that utilizes PHREEQC to back calculate best fit equilibrium and kinetic constants.  My problem shows up in the number of data punched to my selected_output files for most of reactors at equilibrium.  I have specified PHREEQC to punch data to selected output files for each of the simulations.  Most of the simulations are kinetically controlled - these output files look fine.  However, most (not all) of the simulations at equilibrium punch more data than I have requested in the input file????  Specifically, look at input for simulations 4, 8, 12, 16, and 20 and compare these to what is produced by each of their selected_output files.  Simulation 24 is also at equilibrium and the input file for this is written the same way as the simulations giving me problems, but the selected output file for simulation 24 is what I expect.
 
Do you have any thoughts on what might be causing this?
 

Jon Schwantes

Environmental & Water Resources Engineering

Civil Engineering Department, MS-3136

Texas A&M University

College Station, Texas 77843-3136

h: 281-988-5860, w: 979-845-9772

e: plutonium@xxxxxxx

"That that you give to others, does not die with you"

 

Attachment: INVRS_kin.pqi
Description: Binary data

Attachment: INVRS_kin.pqo
Description: Binary data

Attachment: sel_out_files.zip
Description: Zip compressed data



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