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A pyrolysis study of allylic hydrocarbon fuels
International Journal of Chemical Kinetics ( IF 1.5 ) Pub Date : 2020-08-17 , DOI: 10.1002/kin.21414
Shashank S. Nagaraja 1 , Goutham Kukkadapu 2 , Snehasish Panigrahy 1 , Jinhu Liang 1, 3 , Haitao Lu 1, 4, 5 , William J. Pitz 2 , Henry J. Curran 1
Affiliation  

The pyrolysis of selected C3–C5 allylic hydrocarbons has been studied using a single‐pulse shock tube. A new single‐pulse shock tube has been designed and constructed by recommissioning an existing conventional shock tube. This facility enables the investigation of high‐temperature chemical kinetics with an emphasis on combustion chemistry. The modifications performed on the existing shock tube are described, and the details of the sampling system to analyze the species concentration using a gas chromatography‐mass spectrometry‐flame ionization detection (GC‐MS with a flame ionization detector) system are also provided. This facility is characterized and validated by performing cyclohexene pyrolysis experiments. Furthermore, the performance of the shock tube is demonstrated by reproducing previous literature measurements on the pyrolysis of isobutene. Postvalidation, this setup is used to study the pyrolysis of trans‐2‐butene and 2‐methyl‐2‐butene (2M2B). A newly developed mechanism, NUIGMech1.0, is used to simulate the experimental data of propene, isobutene, 2‐butene, and 2M2B, allylic hydrocarbon fuels. A description using two different kinetic simulation approaches is provided using our isobutene experiments as a reference. We found no significant differences between the two methods. Additionally, the contribution of different reaction classes on fuel consumption is detailed and the influence of geometry on fuel consumption and first aromatic ring: benzene is discussed.

中文翻译:

烯丙基烃类燃料的热解研究

选定的C 3 –C 5的热解使用单脉冲激波管研究了烯丙基碳氢化合物。通过重新调试现有的传统减震管,可以设计和构造新的单脉冲减震管。该设施可以研究高温化学动力学,重点是燃烧化学。描述了对现有激波管的修改,并提供了使用气相色谱-质谱-火焰电离检测(GC-MS和火焰电离检测器)系统分析物种浓度的采样系统的详细信息。通过执行环己烯热解实验来表征和验证该设施。此外,通过再现关于异丁烯热解的先前文献测量结果来证明减震管的性能。后验证反式2-丁烯和2-甲基-2-丁烯(2M2B)。新开发的机制NUIGMech1.0用于模拟丙烯,异丁烯,2-丁烯和2M2B烯丙基烃燃料的实验数据。以我们的异丁烯实验为参考,提供了使用两种不同动力学模拟方法的描述。我们发现两种方法之间没有显着差异。此外,详细介绍了不同反应类别对燃料消耗的贡献,并讨论了几何形状对燃料消耗和第一芳环:苯的影响。
更新日期:2020-08-17
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