Problems with the use of DEM to simulate chemical reactions

Dear MFiX developer,I used DEM method to simulate the simple process of carbon and carbon dioxide reaction to generate carbon monoxide. The case was normal when the flow state was without reaction, but the operation stopped after adding the chemical reaction for less than 1 second. The following information is displayed. Does it mean that the operation is divergent or other questions? Is there any reference case of using DEM method to simulate chemical reaction that can be learned?

If you follow the error back to check_data_30.f as indicated, you can see that you are getting an unphysical field variable. That means temperature is probably crazy or maybe you’ve developed negative species, etc. Maybe you’ve got a problem with time-step (maybe too big for your chemistry?) or it’s possible that your reaction rates in your udf are incorrect or applied improperly. Another user might be able to better direct you to a similar DEM tutorial.

Thank you very much, I will try to modify it with your methods.I attach the UDF file of reaction rate, which I think is correct. Please help me check whether there is any mistake in this file.usr_rates_des.f (2.4 KB)

Hi, songmeiqi. I would like to ask that the chemical reaction button cannot be opened when using DEM, Where should I add the UDF of chemical reaction?Thanks

Hi Wangyi - The chemical reaction tab should be enabled whenever there are species defined.

For examples of reactions defined via UDF please check check out the silane pyrolosis or mixer_3d tutorials.

– Charles

ok, thank you for your reply ,cgw

where do I look for chemical reactions