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Modelling electrochemistry

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Old   August 11, 2006, 12:09
Default Modelling electrochemistry
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Emmanuel Resch
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Hello,

I am modelling a Solid Oxide Fuel Cell in PRO-STAR to be run on STAR-CD. I am at the stage where I need to implement the the respective electrochemistry that takes place in 2 regions of the cell.

the two reactions i need to model are:

1. H2 + O^2- ---> 2e- + H20 (H2 gas + oxygen ion of -2 charge --> 2 electrons + water)

2. 0.5O2 + 2e- ----> O^2- (half O2 gas + 2 electrons ---> Oxygen ion of -2 charge)

After reading the Star Users Guide, I have ascertained that these are both "Homogeneous" reactions that occur in a small region. Also, both the fuel (H2) and the oxidant (O2) enter the cell separately, therefore I have further narrowed the model to be of the "Unpremixed-Diffusion" type. Continuing in the Users Guide, it seems that I can use either the Kinetic or Complex Chemistry Model... it is here where I am not sure how to continue. Any suggestions are much appreciated.
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Old   August 16, 2006, 04:30
Default Re: Modelling electrochemistry
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Ralphie
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The complex chemistry model is used for large reaction mechanisms with lots of species and elementary reactions. I think you might be alright with the kinetic model if your approach is right.

I am wondering if you really have homogeneous reactions. Don't you 'supply' the electrons to the oxygen via metal electrodes? Will the reaction 2 take place in the fluid or rather on the surface of your electrode? How do you model the electrons? What about catalytic reactions on the electrolyte?

Regards,

Ralphie
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Old   August 17, 2006, 11:43
Default Re: Modelling electrochemistry
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Emmanuel Resch
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Thanks for your response, Ralphie.

I'm use the Homogeneous Reachtion model because for a composite electrode (YSZ-LSM in my case), the entrie electrode volume, not just the surface, reacts. When it comes to modeling the electrons and ions in the equations, I'm lost...
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