Hydrogen combustion chemical mechanisms
 

Does anyone know a small-to-medium sized chemical mechanism that performs well with hydrogen combustion?


I have used both the GRI 3.0 mech and the Aries82 mechanism out of Colorado State University but those aren't hydrogen specific or even have a focus on.


Preferably, around or less than 100 species would be ideal.

What application are you looking at?


H2 reaction mechanism are not typically very large (9-12 species and about 40 reactions). You have to be careful when choosing a reaction mechanism because most are not validated at elevated/high pressure and generally most validations are performed under heavy inert gas dilution (Xe, Ar etc).



I would suggest to start with the following mechanism which is avaliable in the H2 engine example case in STUDIO.



Li, J., Zhao, Z., Kazakov, A., and Dryer, F.L. "An Updated Comprehensive Kinetic Model for H2 Combustion", Fall Technical Meeting of the Eastern States Section of the Combustion Institute, Penn State University, University Park, PA, October 26-29, 2003.

I should have been more concise.


Application will be for use in a SI engine running on a H2/NG fuel blend.

I would suggest using the C3 mechanism and extract it for H2+CH4. The details of the mechanism development is in the following paper (free download). In order to extract the H2+CH4 mechanism you would require a species list and CONVERGE STUDIO. I suggest your to reach out to support@convergecfd.com using your official email address (that can be verified for CONVERGE license) to request the species list. Feel free to mention my name (Nitesh).



Dong, Shijun, et al. "A new detailed kinetic model for surrogate fuels: C3MechV3. 3." Applications in Energy and Combustion Science 9 (2022): 100043.


Thanks,

So thats the one from the example with 6 elements, 13 species and 25 reactions?

Hi Tobias,



Yes, that is the reference for reaction mechanism used in H2 engine example case.


Thanks,

Reg: H2 mechanism
 

I am already using H2 chem kin file from LLNL. It predicts well.
And I use a Merged & Reduced Diesel + Hydrogen mechanism for my simulations...