CERFACS Chemistry Sharing knowledge for CFD chemical kinetics

C3-v3.5 mechanism

ID


Type of mechanismDetailed
FuelsSurrogate fuels, NH3, CH3OH
OxidizerAir
Number of species3 761
Number of reversible reactions16 546


About


  • It is a detailed kinetic mechanism from the C3 (Computational Chemistry Consortium) regrouping CRECK, ITV, NUI Galway and LLNL laboratories.


  • The C3-v3.5 mechanism a detailed kinetic mechanism which comes from the C3-v3.3 mechanism (tailored for large hydrocarbon chemistry > C4, MAH/PAH chemistry, C0-C4 chemistry and pollutants and biofuels). Sub-mechanisms for methanol and ammonia were added in the C3-v3.5 version.


Citation

The citation relates to the C3-v3.3 mechanism:

Shijun Dong, Scott W. Wagnon, Luna Pratali Maffei, Goutham Kukkadapu, Andrea Nobili, Qian Mao, Matteo Pelucchi, Liming Cai, Kuiwen Zhang, Mandhapati Raju, Tanusree Chatterjee, William J.Pitz, Tiziano Faravelli, Heinz Pitsch, Peter Kelly Senecal and Henry J. Curran. A new detailed kinetic model for surrogate fuels: C3MechV3.3. Applications in energy and combustion science (2021).

https://www.sciencedirect.com/science/article/pii/S2666352X21000212, December 2021.

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