Ab initio kinetic study on the abstraction reactions of methylcyclohexane and implications for high‐temperature ignition simulations from shock tube experiment
Jinhu Liang,
Ming‐Xu Jia,
Qian Yao
et al.
Abstract:Methylcyclohexane (MCH) is the simplest alkylated cyclohexane, and has been widely employed in surrogate models to represent the cycloalkanes in real fuels. Thus, extensive experimental and kinetic modeling studies have been performed to understanding the combustion chemistry of MCH. However, through a detailed literature analysis, there still lack a systematic theoretical study on the abstraction reactions of MCH, which are the main initial oxidation pathway of MCH. Herein, this work reports a systematic ab i… Show more
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