Acta Phys. -Chim. Sin. ›› 2011, Vol. 27 ›› Issue (05): 1061-1067.doi: 10.3866/PKU.WHXB20110437

• THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY • Previous Articles     Next Articles

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. 1. College of Chemistry, Sichuan University, Chengdu 610065, P. R. China;
    2. College of Chemical Engineering, Sichuan University, Chengdu 610065, P. R. China
  • Received:2010-12-28 Revised:2011-03-03 Published:2011-04-28
  • Contact: CHEN Yao-Qiang, LI Xiang-Yuan E-mail:chenyaoqiang@scu.edu.cn; xyli@scu.edu.cn
  • Supported by:

    The project was supported by the National Natural Science Foundation of China (91016002) and National High-Tech Research and Development Program of China (863) (2006AA01A119).

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. 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.

Key words: Pyrolysis, Kinetics model, Relative sensitivity, n-Decane, ReaxGen

MSC2000: 

  • O643