Free radical reaction model for n-pentane pyrolysis

doi:10.1016/j.cjche.2017.06.024

Chinese Journal of Chemical Engineering ›› 2018, Vol. 26 ›› Issue (3): 514-520.DOI: 10.1016/j.cjche.2017.06.024

• Catalysis, Kinetics and Reaction Engineering • 上一篇下一篇

Free radical reaction model for n-pentane pyrolysis

Cong Zhou^1,2, Yuanyi Yang¹, Wei Li², Ying Shi², Li Jin², Zhaobin Zhang², Guoqing Wang²

1 College of Chemical Engineering, Beijing University of Chemical Technology, Beijing 100029, China;
2 SINOPEC Beijing Research Institute of Chemical Industry, Beijing 100013, China

收稿日期:2017-04-26 修回日期:2017-06-20 出版日期:2018-03-28 发布日期:2018-04-18
通讯作者: Cong Zhou

Free radical reaction model for n-pentane pyrolysis

Cong Zhou^1,2, Yuanyi Yang¹, Wei Li², Ying Shi², Li Jin², Zhaobin Zhang², Guoqing Wang²

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:2018-03-28 Published:2018-04-18
Contact: Cong Zhou

摘要/Abstract

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

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

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.

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.

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Free radical reaction model for n-pentane pyrolysis

Free radical reaction model for n-pentane pyrolysis

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