The pyrolysis of 1‐pentene was investigated in a flow reactor over temperatures of 900–1300 K and pressures of 0.04 and 1 atm using synchrotron vacuum ultraviolet photoionization mass spectrometry (SVUV‐PIMS). Pyrolysis products, especially radicals and cyclic compounds, were identified, and their mole fraction profiles were quantified. A detailed kinetic model of 1‐pentene combustion was developed and validated against the new data in this work. Modeling analysis including rate of production analysis and sensitivity analysis was performed to reveal the key pathways in the decomposition of 1‐pentene and the formation of pyrolysis products. Due to the presence of CC double bond in 1‐pentene molecule, the allylic CC bond dissociation reaction and the retro‐ene reaction play important roles in the formation of dominant pyrolysis products such as small alkenes. Besides, the formation of cyclic products including 1,3‐cyclopentadiene, fulvene, benzene, and toluene is dominated by the reactions of C₃ intermediates with C₂–C₄ intermediates. The model was further validated against the previous data of 1‐pentene combustion, including the ignition delay times and laminar burning velocities over a wide range of pressures, temperatures, and equivalence ratios. Modeling analysis shows that C₀–C₃ reactions and fuel‐specific reactions are important for the ignition process of 1‐pentene, while C₀–C₂ reactions play significant roles in the laminar flame propagation of 1‐pentene.

中文翻译：

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探索1-戊烯的燃烧化学：各种压力下的流动反应器热解和详细燃烧模型的建立

使用同步加速器真空紫外光电离质谱法（SVUV-PIMS）在900-1300 K的温度和0.04和1 atm的压力下，在流动反应器中研究了1-戊烯的热解。确定了热解产物，尤其是自由基和环状化合物，并对它们的摩尔分数分布进行了定量。开发了详细的1-戊烯燃烧动力学模型，并针对这项工作中的新数据进行了验证。进行了模型分析，包括生产率分析和敏感性分析，以揭示1-戊烯分解和热解产物形成的关键途径。由于C的存在 C双键在1-戊烯分子，烯丙基Ç C键解离反应和逆烯反应在主要裂解产物如小烯烃的形成中起重要作用。此外，包括1，3-环戊二烯，富烯，苯和甲苯在内的环状产物的形成主要受C ₃中间体与C ₂ –C ₄中间体的反应的影响。该模型已针对先前的1-戊烯燃烧数据进行了进一步验证，包括在各种压力，温度和当量比范围内的点火延迟时间和层流燃烧速度。建模分析表明，C ₀ –C ₃反应和特定于燃料的反应对于1-戊烯的点火过程很重要，而C ₀ –C1-戊烯的层流火焰传播中有_2个反应起重要作用。