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Research Article | Open Access

Towards the selectivity distinction of phenol hydrogenation on noble metal catalysts

Shanjun MaoaZhe WangaZhirong ChenbKejun WucKaichao ZhangcQichuan LicHuihuan YancGuofeng LücGuodong HuangcYong Wanga( )
Advanced Materials and Catalysis Group, Institute of Catalysis, Department of Chemistry, Zhejiang University, Hangzhou, 310028, PR China
College of Chemical and Biological Engineering, Zhejiang University, Hangzhou, 310027, PR China
Zhejiang NHU Company Ltd, Xinchang County, Zhejiang Province, PR China
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Abstract

Selective hydrogenation of phenol to cyclohexanone is intriguing in chemical industry. Though a few catalysts with promising performances have been developed in recent years, the basic principle for catalyst design is still missing owing to the unclear catalytic mechanism. This work tries to unravel the mechanism of phenol hydrogenation and the reasons causing the selectivity discrepancy on noble metal catalysts under mild conditions. Results show that different reaction pathways always firstly converge to the formation of cyclohexanone under mild conditions. The selectivity discrepancy mainly depends on the activity for cyclohexanone sequential hydrogenation, in which two factors are found to be responsible, i.e. the hydrogenation energy barrier and the competitive chemisorption between phenol and cyclohexanone, if the specific co-catalyzing effect of H2O on Ru is not considered. Based on the above results, a quantitative descriptor, Eb(one/pl)/Ea, in which Ea can be further correlated to the d band center of the noble metal catalyst, is proposed by the first time to roughly evaluate and predict the selectivity to cyclohexanone for catalyst screening.

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Nano Materials Science
Pages 91-100
Cite this article:
Mao S, Wang Z, Chen Z, et al. Towards the selectivity distinction of phenol hydrogenation on noble metal catalysts. Nano Materials Science, 2023, 5(1): 91-100. https://doi.org/10.1016/j.nanoms.2020.11.002

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Revised: 15 September 2020
Accepted: 12 November 2020
Published: 19 November 2020
© 2020 Chongqing University.

This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).

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