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Pyrite oxidation


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I'm trying to use React to model the effects of differing oxygen levels on pyrite oxidation. Can this be done? I'm using GWB Version 7 Standard Edition. I've attached a script with the type of water I am trying to model. Thanks!




Apologies for the late response- I somehow missed notification of your post.


Yes, GWB is a great tool for modeling pyrite oxidation. I'd make a couple of changes to your script:


  • You can remove the time constraint, as this is useful only for kinetic modeling, and you do not have a kinetic rate set for pyrite (might be useful to add this to your model...)
  • I would swap Pyrite in for Fe++ in your Basis, and titrate oxygen in from the Reactant panel


Those two changes should get you most of the way there.


Let me know if you have any further questions.




Tom Meuzelaar

RockWare, Inc.

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