Difference between revisions of "When to turn on REDOX"

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[[Category: Applications]] [[Category:Tips]]
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[[Category: Simulation Techniques]] [[Category:Tips]]

Latest revision as of 21:01, 15 October 2014

REDOX (REDduction and OXidation) reactions are off by default because on average, they are rate limited. The most common REDOX reactions used by clients are for the following elements

  • Iron, Fe
  • Sulfur, S
  • Chlorine, Cl
  • Nitrogen, N
  • Oxygen, O


If you have systems with these materials and suspect that REDOX reactions will occur, then we recommend that your perform the calculation multiple times using different settings:

  • First, keep REDOX off and run the calculation.
  • Next, turn REDOX on and compare the two results. RibbonBar-REDOX button.png
  • Lastly, turn REDOX on but this time, modify the allowable half-reactions in the dialog (Chemistry>Model Options>Redox). There are check boxes for each oxidation state that you can turn on and off.

Chemistry-ModelOptions-Redox-Sulfur.png


It is always good if the user has field experience, so that you can anticipate if REDOX is needed, and if so what oxidation states are dominant.