An experimental and kinetic study on the pyrolysis and oxidation of isopentane (2-methylbutane) were conducted in this work. The experiments were performed in a jet-stirred reactor (JSR) at the equivalence ratios of 0.5, 1.0, 2.0 and ∞, across the temperature range from 700 to 1100 K, and at atmospheric pressure. Mole fractions of oxygen, hydrogen, CO, CO₂, C₁C₆ hydrocarbons and methanol were measured using a gas chromatograph (GC), at the initial fuel mole fraction of 0.5% and residence time at 2 s. Three literature kinetic models, named as the Bugler model, the NUIGMech1.1 model, and the LLNL model, were employed to predict the speciation profiles measured in this work, and the ignition delay times in the literature. Based on the model performances and kinetic analysis, some modifications were made to the LLNL model, by supplementing the beta-scission reaction aC₅H₁₁ = C₄H₈–1 +CH₃, and updating the rate constants for the reactions iC₅H₁₂ + OH = cC₅H₁₁ + H₂O, iC₅H₁₂ + OH = bC₅H₁₁ + H₂O, C₃H₄-a = C₃H₄-p, C₃H₄-a + H = C₃H₄-p + H, and C₂H₆ + CH₃ = C₂H₅ +CH₄. After the modifications, the model predictions on mole fractions of 1-butene, ethane, allene and propyne in JSR pyrolysis and oxidation were improved, and the overestimations on the ignition delay times at low temperatures are significantly reduced. Reaction pathway and sensitivity analyses were carried out using the modified model. The results indicated that fuel consumption in pyrolysis is sensitive to the unimolecular decomposition reaction iC₅H₁₂ = iC₃H₇ + C₂H₅ across the temperature range of 900–1100 K. In addition, fuel low-temperature oxidation reactivity is sensitive to the mutual conversion between HO₂ and H₂O₂, while the competition between OH and HO₂ formation has a more pronounced effect at increased temperatures.

在这项工作中，对异戊烷（2-甲基丁烷）的热解和氧化进行了实验和动力学研究。实验在喷射搅拌反应器 (JSR) 中进行，当量比为 0.5、1.0、2.0 和 ∞，温度范围为 700 至 1100 K，并在大气压下进行。氧、氢、CO、CO ₂、C ₁ C _{6 的}摩尔分数使用气相色谱仪 (GC) 测量碳氢化合物和甲醇，初始燃料摩尔分数为 0.5%，停留时间为 2 秒。三个文献动力学模型，分别命名为 Bugler 模型、NUIGMech1.1 模型和 LLNL 模型，用于预测本工作中测量的物种形成剖面，以及文献中的点火延迟时间。基于模型性能和动力学分析，对LLNL模型进行了一些修改，通过补充β-裂解反应aC ₅ H ₁₁  = C ₄ H ₈ –1 +CH ₃，并更新反应iC ₅的速率常数H ₁₂  + OH = cC ₅ H ₁₁  + H₂ O, iC ₅ H ₁₂  + OH = bC ₅ H ₁₁  + H ₂ O, C ₃ H ₄ -a = C ₃ H ₄ -p, C ₃ H ₄ -a + H = C ₃ H ₄ -p + H , 和 C ₂ H ₆  + CH ₃  = C ₂ H ₅ +CH ₄. 改进后，模型对JSR热解氧化中1-丁烯、乙烷、丙二烯和丙炔摩尔分数的预测得到了改进，对低温点火延迟时间的高估显着减少。使用修改后的模型进行反应途径和敏感性分析。结果表明，在900-1100 K 的温度范围内，热解燃料消耗对单分子分解反应 iC ₅ H ₁₂  = iC ₃ H ₇  + C ₂ H ₅敏感。此外，燃料低温氧化反应性很敏感到 HO ₂和 H ₂ O之间的相互转化_{如图 2 所示}，而 OH 和 HO ₂形成之间的竞争在升高的温度下具有更显着的影响。