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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, Advance Article
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, Advance Article , DOI: 10.1039/D0CY01453B

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