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
1. [1]
  
  (1) Herbinet, O.; Paul-Marie, M.; Battin-Leclerc, F.; Fournet, R. J. Anal. Appl. Pyrolysis 2007, 78, 419.
2. [2]
  (2) Sobel, D. R.; Spadaccini, L. J. J. Engin. Gas. Turb. Power 1997, 119, 345.
3. [3]
  (3) Xie, W. J.; Fang, W. J.; Li, D.; Xing, Y.; Guo,Y. S.; Lin, R. S. Acta Chim. Sin. 2009, 67, 1759.
4. [4]
  [谢文杰, 方文军, 李丹, 邢燕, 郭永胜, 林瑞森. 化学学报, 2009, 67, 1759.]
5. [5]
  (4) Yin, K. L.; Wu, G. Y.; Chen, Z. L. Acta Petr. Sin. 2006, 17, 77.
6. [6]
  [殷开梁, 邬国英, 陈正隆. 石油学报, 2006, 17, 77.]
7. [7]
  (5) Wang, Z. W.; Zheng, X. W.; Mi, Z. T.; Hao, W. H. Petrochem. Technol. 2005, 34, 518.
8. [8]
  [王占卫, 张香文, 米镇涛, 郝伟华. 石油化工, 2005, 34, 518]
9. [9]
  (6) Billaud, F.; Chaverot, P.; Freund, E. J. Anal. Appl. Pyrolysis 1987, 11, 39.
10. [10]
  (7) Glaude, P. A.; Warth, V.; Fournet, R.; Battin-Leclerc, F.; Scacchi, G.; Come, G. M. Int. J. Chem. Kinet. 1998, 30, 949.
11. [11]
  (8) Warnatz, J.; Nehse, M. Twenty-Sixth Symposium (International) on Combustion. The Combustion Institute, Pittsburgh, 1996; p 773.
12. [12]
  (9) Bales-Gueret, C.; Cathonnet, M.; Boettner, J. C.; Gaillard, F. Energy & Fuels, 1992, 6, 189.
13. [13]
  (10) Battin-Leclerc, F.; Fournet, R.; Glaude, P. A.; Judenherc, B.; Warth, V.; Come, G. M.; Scacchi, G. Twenty-Eight Symposium (International) on Combustion. The Combustion Institute, Pittsburgh, 2000; p 1597.
14. [14]
  (11) Delfau, J. L.; Bouhria, M.; Reuillon, M.; Sano , O.; Akrich, R.; Vovelle, C. Twenty-Third Symposium (International) on Combustion. The Combustion Institute, Pittsburgh, 1991; p 1567.
15. [15]
  (12) Bikas, G.; Peters, N. Combust. Flame 2001, 126, 1456.
16. [16]
  (13) Bradley, D.; El-Din Habik, S.; El-Sharif, S. A. Combust. Flame 1991, 87, 336.
17. [17]
  (14) Zeppieri, S. P.; Klotz, S. D.; Dryer, F. L.Twenty-Eighth Symposium (International) on Combustion. The Combustion Institute, Pittsburgh, 2000; p 1587.
18. [18]
  (15) Yoneda, Y. Bull. Chem. Soc. Jpn. 1979, 52, 8.
19. [19]
  (16) Ranzi, E.; Pierucci, S. Comput. Chem. Eng. 2008, 32, 805.
20. [20]
  (17) Ranzi, E.; Faravelli, T.; Gaffuri, P.; Pennati, G.; Sogaro, A. Combust. Sci. Technol., 1994, 100, 299.
21. [21]
  (18) http://www.Valerie.Conraud@ensic.inpl-nancy.fr/.
22. [22]
  (19) Muharam,Y. Detailed Kinetic Modelling of the Oxidation and Combustion of Large Hydrocarbons Using an Automatic Generation of Mechanisms. Ph. D. Dissertation, University of Heidelberg, Germany, 2005.
23. [23]
  (20) Li, J.; Shao, J. X.; Liu, C. X.; Rao, H. B.; Li, Z. R.; Li, X. Y. Acta Chim. Sin. 2010, 68, 239.
24. [24]
  [李军, 邵菊香, 刘存喜, 饶含兵, 李泽荣, 李象远. 化学学报, 2010, 68, 239.]
25. [25]
  (21) Weininger, D. J. Chem. Inf. Comput. Sci. 1988, 28, 31.
26. [26]
  (22) Weininger, D.; Weininger, A.; Weininger, J. J. Chem. Inf. Comput. Sci. 1989, 29, 97.
27. [27]
  (23) Benson, S.W. Thermochemical Kinetics, 2nd ed.; John Wiley: New York, 1976.
28. [28]
  (24) Kee, R. J.; Rupley, F. M.; Miller, J. A. Sandia National Laboratories Report No. SAND89-8009B. Sandia National Laboratories, Albuquerque, NM, 1989.
29. [29]
  (25) Fu, X. C.; Shen, W. X.; Yao, T. Y.; Hou, W. H. Physical Chemistry; Higher Education Press: Beijing, 2006; pp 191-197.
30. [30]
  [傅献彩, 沈文霞, 姚天扬, 侯文华. 物理化学. 北京: 高等教育出社, 2006: 191-197.]
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