A single-pulse shock tube study of the four pentene isomers is carried out at 2 ± 0.16 bar and 900–1600 K. C₁ to C₆ species profiles were recorded using gas chromatography mass spectrometry analyses. The species are identified using mass spectrometry and quantified by flame ionization detection. High-pressure limiting and pressure-dependent rate constants for 2M1B, 2M2B and 3M1B + Ḣ were calculated using RRKM theory with a Master Equation (ME) analysis using the Master Equation System Solver, MESS. A mechanism was formulated based on rate rules and theoretical calculations. Comparisons between experimental results and model simulations are provided for all of the five pentene isomers investigated with satisfactory agreement. Furthermore, an insight is provided into the influence of molecular structure on the reactivity of pyrolysis chemistry. Interestingly, it is found that the HACA mechanism is much less prominent for benzene formation compared to the role of cyclopentadienyl radical recombination with methyl radicals and also the recombination of propargyl radicals.

在2±0.16 bar和900–1600 K下，对四种戊烯异构体进行单脉冲激波管研究。C ₁至C ₆使用气相色谱质谱分析记录物种分布。使用质谱鉴定物种，并通过火焰电离检测对其进行定量。2M1B，2M2B和3M1B +的高压极限和与压力有关的速率常数是使用RRKM理论通过主方程系统求解器MESS通过主方程（ME）分析计算的。根据费率规则和理论计算确定了一种机制。对所有五种戊烯异构体的实验结果与模型模拟进行了比较，结果令人满意。此外，提供了对分子结构对热解化学反应性影响的见解。有趣的是