异丙苯热解中苯系物形成的实验与机理研究.docVIP

异丙苯热解中苯系物形成的实验与机理研究 田东旭1,2，刘岳曦1,2，田振玉1,2,*，曹创创3，刘仲铠3， 翟翌童3，张言3，杨玖重3 (1中国科学院工程热物理研究所，北京市北四环西路11号，100190；2中国科学院大学，北京市玉泉路19号甲，100049；3中国科学技术大学国家同步辐射实验室，安徽省合肥市合作化南路42号，230029） (* 通讯联系人，Tel：010Email: tianzhenyu@iet.cn) 摘 要 利用同步辐射光电离和分子束质谱对异丙苯的低压高温热解反应进行了研究。提出了异丙苯热解的反应机理，并对异丙苯的热解过程进行了反应路径和敏感度分析。实验结果表明，在30 Torr下，异丙苯在725 ℃时开始热解。实验中检测到了苯、甲苯、苯乙烯和萘等稳定中间产物，其中苯乙烯浓度最高，且单环芳烃生成温度要低于多环芳烃。反应路径分析表明异丙苯主要消耗生成2-苯乙基。敏感度分析表明，单分子解离对异丙苯的热解影响较大。 关键词 异丙苯；热解；芳烃；同步辐射光电离；分子束质谱。 Experimental and modeling study on the aromatics formation in the pyrolysis of isopropyl benzene Dong-Xu Tian1,2, Yue-Xi Liu1,2, Zhen-Yu Tian1,2,*, Chuang-Chuang Cao3, Zhong-Kai Liu3, Yi-Tong Zhai3, Yan Zhang3, Jiu-Zhong Yang3 1 Institute of Engineering Thermophysics, Chinese Academy of Sciences, 11 Beisihuanxi Rd., Beijing 100190, China 2 University of Chinese Academy of Sciences, 19A Yuquan Rd., Beijing 100049, China 3 National Synchrotron Radiation Laboratory, University of Science and Technology of China, 42 Hezuohua South Rd., Hefei 230029, China Abstract: Pyrolysis study of isopropyl benzene has been carried out by using synchrotron radiation photoionization and molecular beam mass spectrometry techniques. The reaction mechanism of isopropyl pyrolysis was developed. Rate-of-production as well as sensitivity analysis were performed. According to the experimental observations, under the low pressure of 30 Torr, the decomposition of isopropyl benzene occurred at 725 °C. In the pyrolysis process, benzene, toluene, styrene, naphthalene and other stable intermediates were detected. Styrene is the most abundant intermediate and the formation temperatures of the mono-aromatics are lower than those of the poly-aromatics. The rate-of-production analysis shows that the formation of 2-phenylethyl is the main consumption reaction of isopropyl benzene. The sensitivity analysis shows that unimolecular dissociation has a significant influence on the pyrolysis of isopropyl benzene. Keywords: Isopropyl benzene; Pyrolysis;