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Issue 22, 2020
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Fundamental roles of ZnO and ZrO2 in the conversion of ethanol to 1,3-butadiene over ZnO–ZrO2/SiO2

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Abstract

The ZnO–ZrO2/SiO2 catalyst is very active and selective for the conversion of ethanol to 1,3-butadiene (ETB). By varying the method of catalyst preparation we found that there is no synergetic interaction between ZnO and ZrO2 functions; that is, they act as independent catalysts. Estimations through density functional theory calculations showed that the rate-determining step of the ETB reaction is dehydration of crotyl alcohol over ZnO, while the rate-determining step with ZrO2 is ethanol dehydrogenation. The ZnO and ZrO2 sites in the ZnO–ZrO2/SiO2 catalyst act in tandem to catalyze different steps of the ETB reaction.

Graphical abstract: Fundamental roles of ZnO and ZrO2 in the conversion of ethanol to 1,3-butadiene over ZnO–ZrO2/SiO2

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Article information


Submitted
21 Jul 2020
Accepted
02 Sep 2020
First published
09 Sep 2020

Catal. Sci. Technol., 2020,10, 7531-7541
Article type
Paper

Fundamental roles of ZnO and ZrO2 in the conversion of ethanol to 1,3-butadiene over ZnO–ZrO2/SiO2

T. Miyazawa, Y. Tanabe, I. Nakamura, Y. Shinke, M. Hiza, Y. Choe and T. Fujitani, Catal. Sci. Technol., 2020, 10, 7531
DOI: 10.1039/D0CY01453B

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