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On the development of kinetic models for solvent-free benzyl alcohol oxidation over a gold-palladium catalyst

Galvanin, Federico, Meenakshisundaram, Sankar, Cattaneo, Stefano, Bethell, Donald, Dua, Vivek, Hutchings, Graham John and Gavriilidis, Asterios 2018. On the development of kinetic models for solvent-free benzyl alcohol oxidation over a gold-palladium catalyst. Chemical Engineering Journal 342 , pp. 196-210. 10.1016/j.cej.2017.11.165

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Abstract

Bimetallic Au-Pd nanoparticles supported on TiO2 have shown excellent catalytic activity and selectivity to benzaldehyde in the solvent-free transformation of benzyl alcohol to benzaldehyde, where toluene is the main observed by-product, together with smaller amounts of benzoic acid, benzyl benzoate and dibenzyl ether. However, despite the industrial relevance of this reaction and importance of tuning the selectivity to the desired benzaldehyde, only a few attempts have been made in the literature on modeling the reaction kinetics for a quantitative description of this reaction system. A kinetic model for the oxidation of benzyl alcohol over Au-Pd is proposed in this paper. It has been found satisfactory after a model discrimination procedure has been applied to a number of simplified candidate models developed from microkinetic studies. Despite its relative simplicity, the proposed model is capable of representing the reactant conversion and distribution of products observed in experiments carried out at different temperature, pressure and catalyst mass in a stirred batch reactor. Major findings included the quantitative evaluation of the impact of hydrogenolysis and disproportionation pathways on benzaldehyde production. At low temperature the disproportionation reaction was the dominant route to toluene formation, while hydrogenolysis dominated at high temperature.

Item Type: Article
Date Type: Publication
Status: Published
Schools: Cardiff Catalysis Institute (CCI)
Chemistry
Publisher: Elsevier
ISSN: 1385-8947
Funders: EPSRC
Date of First Compliant Deposit: 7 December 2017
Date of Acceptance: 27 November 2017
Last Modified: 28 Jul 2019 21:22
URI: http://orca-mwe.cf.ac.uk/id/eprint/107403

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