| 正癸烷热裂解实验和动力学模拟 |
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| 引用本文： | 焦毅,李军,王静波,王健礼,朱权,陈耀强,李象远. 正癸烷热裂解实验和动力学模拟[J]. 物理化学学报, 2011, 27(5): 1061-1067. DOI: 10.3866/PKU.WHXB20110437 |
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| 作者姓名： | 焦毅 李军 王静波 王健礼 朱权 陈耀强 李象远 |
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| 作者单位： | 1. College of Chemistry, Sichuan University, Chengdu 610065, P. R. China;2. College of Chemical Engineering, Sichuan University, Chengdu 610065, P. R. China |
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| 基金项目： | 国家自然科学基金，国家高技术研究发展计划(863)项 |
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| 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.
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| 关 键 词： | 热裂解 动力学模型 相对敏感度 正癸烷 ReaxGen |
| 收稿时间： | 2010-12-28 |
| 修稿时间： | 2011-03-17 |
Experiment and Kinetics Simulation on the Pyrolysis of n-Decane |
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| JIAO Yi,LI Jun,WANG Jing-Bo,WANG Jian-Li,ZHU Quan,CHEN Yao-Qiang,LI Xiang-Yuan. Experiment and Kinetics Simulation on the Pyrolysis of n-Decane[J]. Acta Physico-Chimica Sinica, 2011, 27(5): 1061-1067. DOI: 10.3866/PKU.WHXB20110437 |
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| Authors: | JIAO Yi LI Jun WANG Jing-Bo WANG Jian-Li ZHU Quan CHEN Yao-Qiang LI Xiang-Yuan |
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| Affiliation: | 1. College of Chemistry, Sichuan University, Chengdu 610065, P. R. China;2. College of Chemical Engineering, Sichuan University, Chengdu 610065, P. R. China |
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| 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 0.5-2s. 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. We thus carried out kinetic modeling and the results were compared with experimental observatio... |
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| Keywords: | ReaxGen |
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