Application of kinetics and computational fluid dynamics in pinene isomerization

Jionghua Xiang; Litao Zhu; Zhenghong Luo

doi:10.1016/j.cjche.2020.03.021

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Application of kinetics and computational fluid dynamics in pinene isomerization

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

- Application of kinetics and computational fluid dynamics in pinene isomerization
- Chinese Journal of Chemical Engineering Vol. 28, Issue 8, Pages: 2111-2120(2020)
- Affiliations：
  
  Department of Chemical Engineering, School of Chemistry and Chemical Engineering, State Key Laboratory of Metal Matrix Composites, Shanghai Jiao Tong University,Shanghai,China,200240
- Author bio：
- Funds：
- DOI：10.1016/j.cjche.2020.03.021
  CLC：
- Published：2020
- Accepted：
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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.
DOI：

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. DOI： 10.1016/j.cjche.2020.03.021.

摘要

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.

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