Application of kinetics and computational fluid dynamics in pinene isomerization  

作　　者：Jionghua Xiang Litao Zhu Zhenghong Luo 

机构地区：[1]Department of Chemical Engineering,School of Chemistry and Chemical Engineering,State Key Laboratory of Metal Matrix Composites,Shanghai Jiao Tong University,Shanghai 200240,China

出　　处：《Chinese Journal of Chemical Engineering》2020年第8期2111-2120,共10页中国化学工程学报（英文版）

基　　金：the National Ministry of Science and Technology of China(No.2017YFB0602401);the National Natural Science Foundation of China(No.21776173 and 21625603);the Program of Shanghai Subject Chief Scientist(No.18XD1402000);the Fujian Green Pine Co.,Ltd.;the computational support from the Center for High Performance Computing,Shanghai Jiao Tong University for supporting this work。

摘　　要：A reliable kinetic model to describe the effects of various factors on the reaction rate and selectivity of pinene isomerization is developed. Furthermore, computational fluid dynamics(CFD) is applied to simulate the solid–liquid dispersion in reactor. The catalyst Ti M is obtained by improving the composition and structure of hydrated titanium dioxide. The kinetic equation of pinene isomerization is deduced based on reaction mechanism and catalyst deactivation model. The kinetic equation of pinene isomerization reaction is fitted, and the results show that the fitted equation is correlated with the experimental data. The rate and selectivity of pinene isomerization reaction are affected by the amount of catalyst, deactivation of catalyst, structure of catalyst, reaction temperature and water content of catalyst. The solid–liquid distribution of the reactor is calculated by computational fluid dynamics numerical simulation, and the solid–liquid dispersion in commercial scale reactor is more uniform than that in lab-scale reactor.

关 键 词：Pinene isomerization Hydrated titanium dioxide KINETICS Catalyst deactivation CFD 

分 类 号：O621.251[理学—有机化学]