Abstract Pyrolysis of 1,2,4-trimethylcyclohexane (T124MCH) at 30 and 760 Torr has been investigated by using VUV-synchrotron photoionization molecular-beam mass spectrometry. In general, the ambient pressure leads to peak-shaped profiles of light hydrocarbons, while the monotonically increasing curves are observed for light hydrocarbons and aromatics in pyrolysis of T124MCH at low pressure. A detailed mechanism involving 530 species and 3160 reactions developed by the authors previously was used for the simulation of T124MCH with reasonable predictions. The consumption of T124MCH followed similar patterns at both pressures, namely the H-abstractions on the first, secondary, and tertiary carbon atoms are the main consumption reactions of T124MCH. The isomerization reactions transform the C9H17 radicals to branch-chain hydrocarbons, which are the precursors of light hydrocarbons such as ethane and propene. Sensitivity analysis indicates that the CH3 consumption reactions are the most significant promoting reactions at both pressures. Isomerization reactions of T124MCH tend to play significant inhibiting effect on T124MCH pyrolysis. Compared to T124MCH oxidation, T124MCH pyrolysis tends to produce large quantities of benzene and toluene. These results will improve the understanding of the combustion and soot formation of T124MCH as a potential aviation surrogate fuel.

中文翻译：

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1,2,4-三甲基环己烷的SVUV-光电离分子束质谱热解研究

摘要 1,2,4-三甲基环己烷 (T124MCH) 在 30 和 760 Torr 下的热解已通过 VUV 同步加速器光电离分子束质谱法进行了研究。通常，环境压力导致轻烃的峰形分布，而在低压下 T124MCH 热解中，轻烃和芳烃观察到单调递增曲线。作者之前开发的涉及 530 个物种和 3160 个反应的详细机制用于模拟 T124MCH，并做出合理的预测。在两种压力下，T124MCH 的消耗遵循相似的模式，即第一、仲和叔碳原子上的 H-抽象是 T124MCH 的主要消耗反应。异构化反应将 C9H17 自由基转化为支链烃，它们是轻烃如乙烷和丙烯的前体。敏感性分析表明，CH3 消耗反应是两种压力下最显着的促进反应。T124MCH的异构化反应往往对T124MCH的热解有明显的抑制作用。与 T124MCH 氧化相比，T124MCH 热解往往会产生大量的苯和甲苯。这些结果将提高对 T124MCH 作为潜在航空替代燃料的燃烧和烟尘形成的理解。与 T124MCH 氧化相比，T124MCH 热解往往会产生大量的苯和甲苯。这些结果将提高对 T124MCH 作为潜在航空替代燃料的燃烧和烟尘形成的理解。与 T124MCH 氧化相比，T124MCH 热解往往会产生大量的苯和甲苯。这些结果将提高对 T124MCH 作为潜在航空替代燃料的燃烧和烟尘形成的理解。