Kinetic Modeling of Ethyl Benzoylformate Enantioselective Hydrogenation over Pt/Al2O3

A1 Journal article (refereed)


Internal Authors/Editors


Publication Details

List of Authors: Gerson Martin, Päivi Mäki-Arvela, Johan Wärnå, Karoliina Honkala, Dmitry Yu. Murzin, Tapio Salmi
Publication year: 2014
Journal: Industrial & Engineering Chemistry Research
Volume number: 53
Start page: 11945
End page: 11953
eISSN: 1520-5045


Abstract

A kinetic model was developed for the enantioselective hydrogenation of ethyl benzoylformate (EBF) on a modified Pt/Al2O3 catalyst. This model was based on the assumption of different numbers of sites for the adsorption of carbonyl groups from EBF as well as for the modifier ((−)-cinchonidine) adsorbed in a flat (actor) and tilted (spectator) modes. Density functional theory calculations were applied to study the energetics of EBF adsorption on Pt(1 1 1) in order to estimate the number of adsorption sites needed. The hydrogenation rate constants were determined along with the adsorption parameters by nonlinear regression analysis. A comparison between the model and the experimental data revealed very good correspondence.

Last updated on 2019-18-07 at 05:58