Free radical reaction model for n-pentane pyrolysis

Cong Zhou; Yuanyi Yang; Wei Li; Ying Shi; Li Jin; Zhaobin Zhang; Guoqing Wang

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Free radical reaction model for n-pentane pyrolysis

Catalysis, Kinetics and Reaction Engineering | Updated：2026-01-06

- Free radical reaction model for n-pentane pyrolysis
- Chinese Journal of Chemical Engineering Vol. 26, Issue 3, Pages: 514-520(2018)
- Affiliations：
  
  2 SINOPEC Beijing Research Institute of Chemical Industry,Beijing,China,100013
- Author bio：
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- Published：2018
- Accepted：
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-pentane pyrolysis[J]. Chinese Journal of Chemical Engineering, 2018, 26(3): 514-520.
DOI：

-pentane pyrolysis[J]. Chinese Journal of Chemical Engineering, 2018, 26(3): 514-520. DOI：

摘要

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.

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