SCI和EI收录∣中国化工学会会刊

Chin.J.Chem.Eng. ›› 2018, Vol. 26 ›› Issue (3): 514-520.DOI: 10.1016/j.cjche.2017.06.024

• Catalysis, kinetics and reaction engineering • Previous Articles     Next Articles

Free radical reaction model for n-pentane pyrolysis

Cong Zhou1,2, Yuanyi Yang1, Wei Li2, Ying Shi2, Li Jin2, Zhaobin Zhang2, Guoqing Wang2   

  1. 1 College of Chemical Engineering, Beijing University of Chemical Technology, Beijing 100029, China;
    2 SINOPEC Beijing Research Institute of Chemical Industry, Beijing 100013, China
  • Received:2017-04-26 Revised:2017-06-20 Online:2018-04-18 Published:2018-03-28
  • Contact: Cong Zhou

Free radical reaction model for n-pentane pyrolysis

Cong Zhou1,2, Yuanyi Yang1, Wei Li2, Ying Shi2, Li Jin2, Zhaobin Zhang2, Guoqing Wang2   

  1. 1 College of Chemical Engineering, Beijing University of Chemical Technology, Beijing 100029, China;
    2 SINOPEC Beijing Research Institute of Chemical Industry, Beijing 100013, China
  • 通讯作者: Cong Zhou

Abstract: A mathematical mechanism of the n-pentane pyrolysis process based on free radical reaction model was presented. The kinetic parameters of n-pentane pyrolysis are obtained by quantum chemistry and the reaction network is established. The solution of the stiff ordinary differential equations in the n-pentane pyrolysis model is completed by semi implicit Eular algorithm. Then the pyrolysis mechanism based on free radical reaction model is built, and the computational efficiency increases 10 times by algorithm optimization. The validity of this model and its solution method is confirmed by the experimental results of n-pentane pyrolysis.

Key words: Pyrolysis, Free radical reaction, Model

摘要: A mathematical mechanism of the n-pentane pyrolysis process based on free radical reaction model was presented. The kinetic parameters of n-pentane pyrolysis are obtained by quantum chemistry and the reaction network is established. The solution of the stiff ordinary differential equations in the n-pentane pyrolysis model is completed by semi implicit Eular algorithm. Then the pyrolysis mechanism based on free radical reaction model is built, and the computational efficiency increases 10 times by algorithm optimization. The validity of this model and its solution method is confirmed by the experimental results of n-pentane pyrolysis.

关键词: Pyrolysis, Free radical reaction, Model