Citation: 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(05): 1061-1067. doi: 10.3866/PKU.WHXB20110437 shu

Experiment and Kinetics Simulation on the Pyrolysis of n-Decane

1.
1. College of Chemistry, Sichuan University, Chengdu 610065, P. R. China;
2. College of Chemical Engineering, Sichuan University, Chengdu 610065, P. R. China

Received Date: 28 December 2010
Available Online: 17 March 2011
Fund Project: 国家自然科学基金(91016002) (91016002)国家高技术研究发展计划(863)项目(2006AA01A119)资助 (863)项目(2006AA01A119)

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. We thus carried out kinetic modeling and the results were compared with experimental observations. Using sensitivity analysis we identified the main reaction steps, the alkyl rearrangement and the β-cleavage reactions, which mostly influence the distributions of hydrogen, methane, and ethylene at atmospheric pressure and 973 K with a residence time of 1 s.
- Pyrolysis,
- Kinetics model,
- Relative sensitivity,
- n-Decane,
- ReaxGen
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