Methylcyclohexane

A chemical kinetic reaction mechanism has been developed for the oxidation of methylcyclohexane (MCH), combining a low-temperature mechanism with a previously developed high temperature mechanism. Predictions from this kinetic model are compared with experimentally measured ignition delay times from a rapid compression machine. The comparisons were made for pressures of 10, 15, and 20 atm and over a temperature range of 670 to 1020 K. Stoichiometric fuel-“air” mixtures were considered where the diluent was 100% N2, 50% N2:50% Ar, and 100% Ar. Computed results were found to be particularly sensitive to isomerization rates of methylcyclohexylperoxy radicals.

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Reference

Pitz, W. J., C. V. Naik, T. N. Mhaolduin, C. K. Westbrook, H. J. Curran, J. P. Orme, and J. M. Simmie, "Modeling and experimental investigation of methylcyclohexane ignition in a rapid compression machine," Proc. Combust. Inst. 31 (1) (2007) 267-275, http://dx.doi.org/10.1016/j.proci.2006.08.041, UCRL-PROC-217798.