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Old   February 23, 2013, 11:59
Default Surface Reaction
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Babak
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Hello guys,
I wanna simulate a surface reaction in FLUENT. However, the details of volumetric reaction for gas-phase and heterogeneous reaction are not in the literature.
So, I am wondering if I can create this surface reaction by myself, introducing the Arrhenius parameters, activation energy etc.
In other words, I would like to know whether or not I am able to create a reaction based on the global reaction? (without intermediate reactions)

Thanks for your help
Babak
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Old   February 23, 2013, 16:52
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Parisa
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Quote:
Originally Posted by babak_zomorrodi View Post
Hello guys,
I wanna simulate a surface reaction in FLUENT. However, the details of volumetric reaction for gas-phase and heterogeneous reaction are not in the literature.
So, I am wondering if I can create this surface reaction by myself, introducing the Arrhenius parameters, activation energy etc.
In other words, I would like to know whether or not I am able to create a reaction based on the global reaction? (without intermediate reactions)

Thanks for your help
Babak

Dear Babak,
I had problem in simulation of surface reaction in FLUENT, for mixtures that I didn't have the details of chemistry mechanism. Did you check in CHEMKIN? In my case, CHEMKIN also doesn't provide that information. Also, I investigated a lot in literature but no gain. Is your problem similar to mine?
Please share your experience with me if you got any success.

Last edited by Parisa_Khiabani; February 27, 2013 at 15:19.
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Old   February 23, 2013, 16:57
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Quote:
Originally Posted by Parisa_Khiabani View Post
Dear Babak,
I had problem in simulation of surface reaction in FLUENT, for mixtures that I didn't have the details of chemistry mechanism. Did you check in CHEMKIN? In my case, CHEMKIN also doesn't provide that information. Also, I investigated a lot in literature but no gain. Is your problem similar to mine?
Please share your experience with me if you got any success.

Hello Parisa,
Thanks for reading my post.
Yes, seems my problem is partially similar to yours. Yes, I did check with CHEMKIN and this surface reaction is not covered in CHEMKIN as well. Like your case
For sure I will keep you posted if I found a way to solve that.
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Old   February 27, 2013, 15:21
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Quote:
Originally Posted by babak_zomorrodi View Post
Hello Parisa,
Thanks for reading my post.
Yes, seems my problem is partially similar to yours. Yes, I did check with CHEMKIN and this surface reaction is not covered in CHEMKIN as well. Like your case
For sure I will keep you posted if I found a way to solve that.
Hey Babak,
Any update?
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Old   February 28, 2013, 12:15
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I suppose there's no any remarkable problem in setting a volumetric reaction both in gas or liquid phase. Regarding to heterogeneous reaction, I think you should use UDF for this purpose. Concerning to the second questions, you don't need to use intermediate reactions, only global would be OK. The procedure to set a Arrhenius reaction is simple and straightforward, you just need to have activation energy and pre-exponential factor and reactions exponent. There is a good tutorial about this. I think, CVD (Chemical Vapor Deposition) tutorial is good enough to help you to find your way to proceed further.
Good luck
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