Free radical reaction model for n-pentane pyrolysis

doi:10.1016/j.cjche.2017.06.024

Abstract

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

Cong Zhou, Yuanyi Yang, Wei Li, Ying Shi, Li Jin, Zhaobin Zhang, Guoqing Wang. Free radical reaction model for n-pentane pyrolysis[J]. Chin.J.Chem.Eng., 2018, 26(3): 514-520.

Cong Zhou, Yuanyi Yang, Wei Li, Ying Shi, Li Jin, Zhaobin Zhang, Guoqing Wang. Free radical reaction model for n-pentane pyrolysis[J]. Chinese Journal of Chemical Engineering, 2018, 26(3): 514-520.

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