Lawrence Livermore National Laboratory


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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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,, UCRL-PROC-217798.