Application of kinetics and computational fluid dynamics in pinene isomerization
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...
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| Published in | Chinese journal of chemical engineering Vol. 28; no. 8; pp. 2111 - 2120 |
|---|---|
| Main Authors | , , |
| Format | Journal Article |
| Language | English |
| Published |
Elsevier B.V
01.08.2020
Department of Chemical Engineering, School of Chemistry and Chemical Engineering, State Key Laboratory of Metal Matrix Composites, Shanghai Jiao Tong University, Shanghai 200240, China |
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| 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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•Establish a more complete kinetic model by introducing deactivation model•The kinetic model correlates well with experimental data.•The lab-scale reactor and commercial scale reactor are investigated by CFD numerical simulation.•The factors affecting the rate and selectivity of the pinene isomerization reaction are systematically studied. |
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| AbstractList | 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.
[Display omitted]
•Establish a more complete kinetic model by introducing deactivation model•The kinetic model correlates well with experimental data.•The lab-scale reactor and commercial scale reactor are investigated by CFD numerical simulation.•The factors affecting the rate and selectivity of the pinene isomerization reaction are systematically studied. 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 cat-alyst 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 re-action 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 dy-namics numerical simulation, and the solid–liquid dispersion in commercial scale reactor is more uniform than that in lab-scale reactor. |
| Author | Zhu, Litao Xiang, Jionghua Luo, Zhenghong |
| AuthorAffiliation | Department of Chemical Engineering, School of Chemistry and Chemical Engineering, State Key Laboratory of Metal Matrix Composites, Shanghai Jiao Tong University, Shanghai 200240, China |
| AuthorAffiliation_xml | – name: Department of Chemical Engineering, School of Chemistry and Chemical Engineering, State Key Laboratory of Metal Matrix Composites, Shanghai Jiao Tong University, Shanghai 200240, China |
| Author_xml | – sequence: 1 givenname: Jionghua surname: Xiang fullname: Xiang, Jionghua – sequence: 2 givenname: Litao surname: Zhu fullname: Zhu, Litao – sequence: 3 givenname: Zhenghong surname: Luo fullname: Luo, Zhenghong email: luozh@sjtu.edu.cn |
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| CitedBy_id | crossref_primary_10_1016_j_powtec_2022_117358 crossref_primary_10_1016_j_cep_2021_108591 |
| Cites_doi | 10.1016/S0021-9517(02)00150-1 10.1016/j.cherd.2013.10.020 10.1016/j.cjche.2018.02.005 10.1016/j.biortech.2003.10.016 10.1016/j.cej.2011.02.037 10.1002/cctc.201200106 10.1016/j.apt.2012.03.007 10.1016/j.matchemphys.2005.03.025 10.4028/www.scientific.net/AMM.483.134 10.1007/s11164-015-2041-2 10.1080/00986440590477773 10.4028/www.scientific.net/AMR.746.49 10.1016/j.apcatb.2016.06.064 10.4067/S0717-97072004000300011 10.1007/s11746-005-1105-2 10.1016/j.apcata.2012.03.037 10.1023/A:1005643731718 10.1016/j.powtec.2017.03.032 10.1023/A:1015286510177 10.1016/j.micromeso.2017.09.007 10.1016/S1385-8947(02)00162-6 10.1021/ie970573t 10.1007/s11746-997-0038-8 10.1016/j.jcat.2007.10.001 10.1016/0926-860X(96)00091-9 10.1021/ja507119n 10.1006/jcat.1999.2474 10.1007/s11144-016-1059-9 10.1016/j.cej.2005.08.006 10.1016/j.micromeso.2012.06.027 10.1007/s10562-008-9678-z 10.1021/ie901130z |
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| Copyright | 2020 Elsevier B.V. Copyright © Wanfang Data Co. Ltd. All Rights Reserved. |
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| Keywords | CFD Hydrated titanium dioxide Kinetics Pinene isomerization Catalyst deactivation |
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| SubjectTerms | Catalyst deactivation CFD Hydrated titanium dioxide Kinetics Pinene isomerization |
| Title | Application of kinetics and computational fluid dynamics in pinene isomerization |
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