Comparative study of the oxidation of toluene and the three isomers of xylene

These data present an experimental study of the oxidation of toluene, ortho‑xylene, meta-xylene, and para-xylene in a jet-stirred reactor. In order to facilitate comparisons, the same experimental conditions were used for the four reactants, i.e. temperatures from 600 to 1200 K, a pressure of 1.07 bar, a residence time of 2 s, an initial fuel mole fraction of 0.005, and equivalence ratios of 0.5, 1 and 2. Compared to literature studies using the same type of reactor, due to higher residence time and initial fuel mole fraction, a higher number of aromatic products was observed and some reactivity was observed at lower temperatures, especially for ortho-xylene, which started to react from 700 K. For this fuel, the formation of phthalan, an aromatic compound including an oxetane ring and indicating low‑temperature oxidation chemistry, was confirmed.

本数据集呈现了甲苯、邻二甲苯、间二甲苯及对二甲苯在喷射搅拌反应器（jet-stirred reactor）中的氧化实验研究。为便于比较，四种反应物采用相同实验条件：温度范围600至1200 K，压力1.07 bar，停留时间2 s，初始燃料摩尔分数0.005，当量比为0.5、1及2。与采用同类反应器的文献研究相比，由于停留时间更长且初始燃料摩尔分数更高，本研究观测到更多芳香族产物，且部分反应物在更低温度下即表现出反应活性——尤其邻二甲苯，其反应起始温度为700 K。针对该燃料，研究证实了苯并呋喃（phthalan）的生成；苯并呋喃是一种含氧化杂环丁烷环（oxetane ring）的芳香族化合物，可指示低温氧化化学（low-temperature oxidation chemistry）过程。