Computational Chemistry Modelling Redox Potentials [closed]








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How could I accurately determine the Fe3+/Fe2+ redox potential in an aqueous solution? What would be a good computational model(s) for this?




Here is a non-electrolysis scenario that could be of interest. Add deoxygenated water to FeCl2 in a closed vessel filled with oxygen or air. Record the oxygen consumption. 


Chemistry:


$\ce{4 Fe(2+) + 2H2O + O2 (g) -> 4 Fe(3+) + 4 OH- }$


The wet ferrous chloride should be presented in a fashion to maximize oxygen exposure from air.


[EDIT] I would also place the system (till the reaction is completed) under pressure to limit adjustments owing to the speed of oxygen assimilation.


To be clear, as apparently required by a comment, the purpose of this experiment, per my understanding of the Question, is to serve as a frame for real world validation of a sophisticated theoretical/computational based model.


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