Lawrence Livermore National Laboratory

The MCH chemical kinetic model was updated with new reaction rates and pathways, including substantial updates to the low-temperature chemistry. The new model shows good agreement with the overall ignition delays measured the UConn RCM, as well as the ignition delays measured previously in the literature using RCMs and shock tubes. This model represents a significant improvement compared to the previous version, which in general over-predicted the ignition delays. The mechanism was validated for ignition delay times over a temperature range of 0.5 to 1.5, a pressure range of 15 to 50 bar and an equivalence ratio range of 680 to 900K with air-like compositions. For stoichiometric mixtures and 50 atm, validations were performed up to 1100K by comparison to shock-tube ignition data in the literature. The mechanism was not validated for flame conditions.

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B. W. Weber, W. J. Pitz, M. Mehl, E. J. Silke, A. C. Davis and C.-J. Sung, "Experiments and modeling of the autoignition of methylcyclohexane at high pressure," Combust. Flame 161 (8) (2014) 1972–1983.