正癸烷热裂解试验和动力学模拟.PDF

物理化学学报(Wuli Huaxue Xuebao) May Acta Phys. -Chim. Sin. 2011, 27 (5), 1061-1067 1061 [Article] 正癸烷热裂解实验和动力学模拟 焦 毅1 李 军2 王静波2 王健礼1 朱 权2 陈耀强1,* 李象远2,* 1 2 ( 四川大学化学学院, 成都610065; 四川大学化工学院, 成都610065) 摘要: 采用自制常压裂解装置, 研究了正癸烷在温度范围为973-1123 K, 停留时间为0.5-2 s 时, 热裂解主要 气相产物氢气、甲烷和乙烯的分布情况. 根据自主开发的机理生成软件ReaxGen, 构建了正癸烷热裂解的详细 机理, 该机理包含1072 步反应和281 个物种. 进一步进行动力学模拟, 并用实验结果进行了初步验证. 结果表 明, 在反应的温度区间内, 短的停留时间有利于乙烯和氢气的生成. 通过敏感度分析, 确定了常压下973 K, 停 留时间为1 s 时影响氢气、甲烷和乙烯产量的主要反应步骤是烷基的重排和β裂解反应. 关键词: 热裂解; 动力学模型; 相对敏感度; 正癸烷; ReaxGen 中图分类号: O643 Experiment and Kinetics Simulation on the Pyrolysis of n-Decane JIAO Yi1 LI Jun2 WANG Jing-Bo2 WANG Jian-Li1 ZHU Quan2 CHEN Yao-Qiang1,* LI Xiang-Yuan2,* 1 ( College of Chemistry, Sichuan University, Chengdu 610065, P. R. China; 2 College of Chemical Engineering, Sichuan University, Chengdu 610065, P. R. China) Abstract: In this work, atmospheric cracking equipment was used to study the distribution of the main gas products of n-decane pyrolysis including hydrogen, methane, and ethylene between 973-1123 K and at different residence time of 0.5-2 s. The detailed mechanism for n-decane pyrolysis, which was composed of 1072 steps and 281 species, was automatically generated by the ReaxGen program that was developed in our laboratory.