The extensive production of alternative fuels from renewable biomass sources through microbial fermentation has attracted wide attention, which is a large-scale and targeted means to meet various application conditions. As an alternative terpenoid hydrocarbon fuel produced by this renewable means, there is a large application prospect for cycloalkane p-menthane (1-isopropyl-4-methylcyclohexane, PMT). In this work, the atmospheric pyrolysis performance of PMT was investigated by the pyrolysis experiment under 773–1023 K in a tandem microreactor and GC-MS/FID online detection system. The emphasis of this work is to comprehensively analyze the pyrolysis mechanism of PMT, with a detailed reaction kinetic model (294 species and 1862 reactions) proposed. Besides, we preliminarily discuss the pressure dependence of PMT pyrolysis between the atmospheric data and newly investigated high-pressure data at the same temperature and residence time. The model well reproduced the experimental product distributions under both of the pressures. It is found that the side chain scission of PMT served as chain initiation reactions including the isopropyl scission and methyl scission, which contribute much to the consumption of PMT according to the sensitivity analysis. Those unimolecular decomposition reactions more easily occur under low pressure and have greater contributions to the fuel consumption. The H-abstraction reaction takes the largest proportion in the consumption paths of PMT benefiting from the massive generation of small groups. The ring-opening reactions of the generated radicals and the subsequent reactions produce a large number of branched alkenes and conjugated dienes, such as 3-methyl-1-butene, 2-methyl-1,3-butadiene, etc. Aromatic products are mainly benzene and toluene, the formation of which is mainly through C5 cyclic and C6 cyclic precursors. This work aims to provide a reference for understanding the pyrolysis behavior of multibranched cycloalkanes and cyclic terpenoids.

中文翻译：

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生物质衍生烃对-薄荷烷热解的实验和动力学建模

通过微生物发酵从可再生生物质来源广泛生产替代燃料引起了广泛关注，这是满足各种应用条件的大规模和有针对性的手段。作为由这种可再生装置产生的替代萜类烃类燃料，存在对环烷烃大的应用前景p-薄荷烷（1-异丙基-4-甲基环己烷，PMT）。在这项工作中，通过在串联微反应器和GC-MS / FID在线检测系统中在773-1023 K下进行的热解实验研究了PMT在大气中的热解性能。这项工作的重点是全面分析PMT的热解机理，并提出了详细的反应动力学模型（294种和1862个反应）。此外，我们初步讨论了在相同温度和停留时间下，大气数据和新近研究的高压数据之间PMT热解的压力依赖性。该模型很好地再现了两种压力下的实验产品分布。发现PMT的侧链断裂是包括异丙基和甲基断裂的链引发反应，根据敏感性分析，这对PMT的消耗有很大贡献。这些单分子分解反应在低压下更容易发生，并且对燃料消耗有更大的贡献。受益于小规模群体的产生，氢吸收反应在PMT的消费途径中所占比例最大。产生的自由基的开环反应和随后的反应产生大量的支链烯烃和共轭二烯，例如3-甲基-1-丁烯，2-甲基-1,3-丁二烯等。芳族产物主要是苯和甲苯，主要通过C5环状和C6环状前体形成。这项工作旨在为理解多支链环烷烃和环状萜类化合物的热解行为提供参考。