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catalytic combustion of methane

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Old   March 13, 2018, 19:52
Default catalytic combustion of methane
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Weiqiang Liu
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Hi all,

I've doing a methane combustion simulation with fluent. The geometry includes two big planes with catalyst coated on the wall. Therefore it is simplified into a two dimensional problem. The gas phase mechanism, surface mechanism, thermodynamic data of gas and surface species and transport data are downloaded from chemkin official website.

All chemkin format files can be imported into fluent without any error. I have also verified that there is no mistakes about fluent setup.

I can get good results with just gas phase reactions. however, once I add surface reactions into the case. Fluent will pop up 'received fatal signal (segmentation error)' at the beginning of calculation.

this has confused me for weeks. Can anybody help me with it? Thanks a lot

ps: the image of mesh and part of setup are attached.
Attached Images
File Type: png mesh.png (5.0 KB, 33 views)
File Type: png general setup.png (10.6 KB, 39 views)
File Type: png species model.png (37.4 KB, 41 views)
File Type: png gas phase reaction.png (13.1 KB, 37 views)
File Type: png surface reaction.png (20.5 KB, 37 views)
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Old   March 13, 2018, 21:13
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Hello Weiqiang Liu,
While calculating elementary surface reactions in axisymmetric channel, initially go with single global gas phase reaction (CH4+2O2->CO2+2H2O) and solve it. Later then, move on with multiple gas phase reactions.

Regarding fluent pop up error, I guess there is some problem with surface reactions, which you have imported in. May I know what kind of surface reactions you implemented..like Deutschmann, Bond or Chou's chemistry?

Thank you
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Old   March 13, 2018, 21:31
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Quote:
Originally Posted by Kummi View Post
Hello Weiqiang Liu,
While calculating elementary surface reactions in axisymmetric channel, initially go with single global gas phase reaction (CH4+2O2->CO2+2H2O) and solve it. Later then, move on with multiple gas phase reactions.

Regarding fluent pop up error, I guess there is some problem with surface reactions, which you have imported in. May I know what kind of surface reactions you implemented..like Deutschmann, Bond or Chou's chemistry?

Thank you
Hi Kummi,

Thanks a lot for your suggestion. you mean I have to calculate with one-step gas phase reaction to get a initial solution and then continue with multiple gas phase reactions?

The surface reaction mechanism is from Deutschmann and I found this mechanism in Chemkin installation package. I can give you the mechanism when I get to office tomorrow. Would you mind giving me your email address? This problem has confused me for a long time. I really need some expertise. Thank you so much!

weiqiang
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Old   March 13, 2018, 21:43
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You are most welcome Weiqiang Liu ^_^

Yae..First do calculate with one-step gas phase reaction to get a initial solution and then continue with multiple gas phase reactions..

kumaresh.kummi@yahoo.com

Best regards
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Old   September 19, 2019, 16:11
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Jun Yin
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Hello Liu:
I am learning to model the surface chemical reaction now. I would like to ask how to download the gas phase mechanism, surface mechanism data file in chemkin website? I can not find it. COuld you send your the reaction mechanism flie to me? thanks in advance. My email address is jyin@kth.se
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Old   September 19, 2019, 21:17
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Quote:
Originally Posted by jyin View Post
Hello Liu:
I am learning to model the surface chemical reaction now. I would like to ask how to download the gas phase mechanism, surface mechanism data file in chemkin website? I can not find it. COuld you send your the reaction mechanism flie to me? thanks in advance. My email address is jyin@kth.se
hello, you can google GRI mechanism or DETCHCHEM surface mechanism if I remember right.

Or you can check some literature. There should be link related to mechanisms they use.

Best
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Old   December 22, 2019, 13:23
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Quote:
Originally Posted by Weiqiang Liu View Post
Hi all,

I've doing a methane combustion simulation with fluent. The geometry includes two big planes with catalyst coated on the wall. Therefore it is simplified into a two dimensional problem. The gas phase mechanism, surface mechanism, thermodynamic data of gas and surface species and transport data are downloaded from chemkin official website.

All chemkin format files can be imported into fluent without any error. I have also verified that there is no mistakes about fluent setup.

I can get good results with just gas phase reactions. however, once I add surface reactions into the case. Fluent will pop up 'received fatal signal (segmentation error)' at the beginning of calculation.

this has confused me for weeks. Can anybody help me with it? Thanks a lot

ps: the image of mesh and part of setup are attached.
Can I ask you for send me your msh and chemkin???
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