Hydrogenolysis of 5-hydroxymethylfurfural by in situ produced hydrogen from water on an iron catalyst

Li, Xin, Rui, Peng, Ye, Tongqi, Yao, Xin, Zhou, Rulong, Li, Dongdong, Wang, Sheng, Carter, James H. and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2023. Hydrogenolysis of 5-hydroxymethylfurfural by in situ produced hydrogen from water on an iron catalyst. Catalysis Science & Technology 13 (11) , pp. 3366-3374. 10.1039/D3CY00027C Item availability restricted.

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Abstract

The hydrogenolysis of 5-hydroxymethylfurfural in a flow reactor was investigated over iron catalysts in the presence of water. The reaction proceeds in the presence of hydrogen or an inert atmosphere. Isotopic substitution studies where deuterium was used instead of water proved that the hydrogen in the final product can originate from water. The role of water was further investigated and it was found that it can re-oxidise the catalyst during the reaction. X-ray diffraction was used to identify the active phases present during and after the reaction. Density functional theory calculations revealed that the adsorption of the substrate is rather strong on Fe(110), and this may explain the formation of humins during the reaction, which is regarded as the main limitation of the current catalyst.

Item Type:	Article
Date Type:	Published Online
Status:	Published
Schools:	Chemistry Cardiff Catalysis Institute (CCI)
Publisher:	Royal Society of Chemistry
ISSN:	2044-4753
Date of First Compliant Deposit:	27 July 2023
Date of Acceptance:	2 May 2023
Last Modified:	17 Nov 2023 16:02
URI:	https://orca.cardiff.ac.uk/id/eprint/161311

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