Application of kinetics and computational fluid dynamics in pinene isomerization

doi:10.1016/j.cjche.2020.03.021

Chinese Journal of Chemical Engineering ›› 2020, Vol. 28 ›› Issue (8): 2111-2120.DOI: 10.1016/j.cjche.2020.03.021

• Catalysis, Kinetics and Reaction Engineering • Previous Articles Next Articles

Application of kinetics and computational fluid dynamics in pinene isomerization

Jionghua Xiang, Litao Zhu, Zhenghong Luo

Department of Chemical Engineering, School of Chemistry and Chemical Engineering, State Key Laboratory of Metal Matrix Composites, Shanghai Jiao Tong University, Shanghai 200240, China

Received:2019-08-02 Revised:2020-02-17 Online:2020-09-19 Published:2020-08-28
Contact: Zhenghong Luo
Supported by:
The authors thank 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. and the computational support from the Center for High Performance Computing, Shanghai Jiao Tong University for supporting this work.

Application of kinetics and computational fluid dynamics in pinene isomerization

Jionghua Xiang, Litao Zhu, Zhenghong Luo

Department of Chemical Engineering, School of Chemistry and Chemical Engineering, State Key Laboratory of Metal Matrix Composites, Shanghai Jiao Tong University, Shanghai 200240, China

通讯作者: Zhenghong Luo
基金资助:
The authors thank 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. and the computational support from the Center for High Performance Computing, Shanghai Jiao Tong University for supporting this work.

Abstract

Abstract: 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 TiM 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.

Key words: Pinene isomerization, Hydrated titanium dioxide, Kinetics, Catalyst deactivation, CFD

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 TiM 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

Jionghua Xiang, Litao Zhu, Zhenghong Luo. Application of kinetics and computational fluid dynamics in pinene isomerization[J]. Chinese Journal of Chemical Engineering, 2020, 28(8): 2111-2120.

Jionghua Xiang, Litao Zhu, Zhenghong Luo. Application of kinetics and computational fluid dynamics in pinene isomerization[J]. 中国化学工程学报, 2020, 28(8): 2111-2120.

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Application of kinetics and computational fluid dynamics in pinene isomerization

Application of kinetics and computational fluid dynamics in pinene isomerization

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