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Kinetic modelling of hydrogen transfer deoxygenation of a prototypical fatty acid over a bimetallic Pd60Cu40 catalyst: an investigation of the surface reaction mechanism and rate limiting step

Cheah, Kin Wai; Yusup, Suzana; Taylor, Martin J.; How, Bing Shen; Osatiashtiani, Amin; Nowakowski, Daniel J.; Bridgwater, Anthony V.; Skoulou, Vasiliki; Kyriakou, Georgios; Uemura, Yoshitmitsu

Authors

Kin Wai Cheah

Suzana Yusup

Bing Shen How

Amin Osatiashtiani

Daniel J. Nowakowski

Anthony V. Bridgwater

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Dr Vicky Skoulou V.Skoulou@hull.ac.uk
Director of Research of Chemistry Department and Chemical Engineering Department ; Senior Lecturer (Assoc. Prof.) in Chemical Engineering-Bioenergy ; PI of the B3: Biomass Waste- BioenergH2- Biochars Challenge Group of PGRs and PDRAs

Georgios Kyriakou

Yoshitmitsu Uemura



Contributors

Abstract

Herein, for the first time, we demonstrate a novel continuous flow process involving the application of tetralin as a hydrogen
donor solvent for the catalytic conversion of oleic acid to diesel-like hydrocarbons, using an efficient and stable carbonsupported bimetallic PdCu catalyst. Using Pd60Cu40/C, where 60:40 is the molar ratio of each metal, at optimum reaction
conditions (360 °C and WHSV = 1 h-1), 90.5% oleic acid conversion and 80.5% selectivity to C17 and C18 paraffinic hydrocarbons
were achieved. Furthermore, a comprehensive mechanistic based kinetic modelling - considering power rate law, L-H and
E-R models was conducted. Kinetic expressions derived from the three kinetic models were investigated in rate data fitting
through nonlinear regression using a Levenberg-Marquardt algorithm. Based on the statistical discrimination criteria, the
experimental data of the dehydrogenation reaction of tetralin was best fitted by an L-H rate equation assuming the surface
reaction as the rate controlling step. On the contrary, the kinetic data of the oleic acid deoxygenation reaction was well
correlated with an L-H rate equation assuming single site adsorption of oleic acid with dissociative H2 adsorption. It was
found that the rate limiting step of the overall reaction was the hydrogenation of oleic acid with an activation energy of 75.0
± 5.1 kJ mol-1 whereas the dehydrogenation of tetralin had a lower activation energy of 66.4 ± 2.7 kJ mol-1.

Citation

Kyriakou, G., Cheah, K. W., Yusup, S., How, B. S., Taylor, M. J., Osatiashtiani, A., …Uemura, Y. (2020). Kinetic modelling of hydrogen transfer deoxygenation of a prototypical fatty acid over a bimetallic Pd60Cu40 catalyst: an investigation of the surface reaction mechanism and rate limiting step. Reaction Chemistry and Engineering, 5(9), 1682-1693. https://doi.org/10.1039/d0re00214c

Journal Article Type Article
Acceptance Date Jul 21, 2020
Online Publication Date Jul 21, 2020
Publication Date 2020-09
Deposit Date Jul 21, 2020
Publicly Available Date Jul 22, 2021
Journal Reaction Chemistry and Engineering
Print ISSN 2058-9883
Electronic ISSN 2058-9883
Publisher Royal Society of Chemistry
Peer Reviewed Peer Reviewed
Volume 5
Issue 9
Pages 1682-1693
DOI https://doi.org/10.1039/d0re00214c
Public URL https://hull-repository.worktribe.com/output/3081840
Additional Information : This document is Similarity Check deposited; : Supplementary Information; : Kin Wai Cheah (ORCID); : Suzana Yusup (ORCID); : Martin J. Taylor (ORCID); : Amin Osatiashtiani (ORCID); : Amin Osatiashtiani (ResearcherID); : Daniel J. Nowakowski (ResearcherID); : Georgios Kyriakou (ORCID); : Single-blind; : Received 27 May 2020; Accepted 21 July 2020; Accepted Manuscript published 21 July 2020; Advance Article published 28 July 2020

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