Abstract A single-pulse shock tube study of the pyrolysis of 2% C2–C6 1-alkenes is presented at 2 bar in the temperature range 900–1800 K in the current study. Reactant, intermediate and product species are obtained and quantified using gas chromatography-mass spectrometry (GC–MS) analysis. MS is used for species identification and a flame ionization detector is used for quantification. The experiments show the effect of carbon chain length on the production of smaller C1–C3 fragments. A new detailed kinetic mechanism, NUIGMech1.0, is used to simulate the data and the predictions for the major species are satisfactory. The improvement in predictions of the current mechanism, which includes C6 and C7 species, is substantial compared to AramcoMech3.0. Kinetic analyses are conducted with the current mechanism to identify the formation and consumption pathways of the quantified species. The experimental data are expected to contribute to a database for the validation of mechanisms at pyrolytic conditions. Additionally, the mechanism aims to provide a fundamental understanding of the pyrolytic chemistry of olefins.

中文翻译：

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C2-C6 1-烯烃的分级单脉冲激波管热解研究

摘要 在当前的研究中，在 2 bar 和 900-1800 K 的温度范围内对 2% C2-C6 1-烯烃的热解进行了单脉冲激波管研究。使用气相色谱-质谱 (GC-MS) 分析获得并量化反应物、中间体和产物种类。MS 用于物种鉴定，火焰离子化检测器用于定量。实验显示了碳链长度对较小 C1-C3 片段产生的影响。新的详细动力学机制 NUIGMech1.0 用于模拟数据，对主要物种的预测令人满意。与 AramcoMech3.0 相比，包括 C6 和 C7 物种在内的当前机制预测的改进是巨大的。使用当前机制进行动力学分析，以确定量化物种的形成和消耗途径。预计实验数据将有助于建立一个用于验证热解条件下机制的数据库。此外，该机制旨在提供对烯烃热解化学的基本理解。