PHAST/PHREEQC question

Hi again,

I'm having 2 problems with a benzene oxidation problem.

I have narrowed the problem down to the chemistry file because the velocities and chloride concentrations match up.

1- When I vary the kinetics with PHAST (ie vary qm and log_k in the '.chem' file) by several orders of magnitude, there is no change in benzene concentrations.

2- I am comparing the results with MIN3P, and the concentrations for PHAST are a little bit higher, even with kinetics shut off (k = 0). The only way I have been able to get closer to a match is by decreasing the input concentrations of benzene (I have included a graph of this problem where for all simulations k = 0). Any idea why this might be assuming i'm entering the same concentrations for both programs?

I have included the .chem and .trans file. If you could answer one or both of these questions I would greatly appreciate it.

Best regards,

Angus

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