Free radical reaction model for n-pentane pyrolysis  

作　　者：Cong Zhou Yuanyi Yang Wei Li Ying Shi Li Jin Zhaobin Zhang Guoqing Wang 

机构地区：[1]College of Chemical Engineering, Beijing University of Chemical Technology, Beijing 100029, China [2]SINOPEC Beijing Research Institute of Chemical Industry, Beijing 100013, China

出　　处：《Chinese Journal of Chemical Engineering》2018年第3期514-520,共7页中国化学工程学报（英文版）

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.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 

分 类 号：O623.11[理学—有机化学]