AVS 63rd International Symposium & Exhibition
    Fundamental Discoveries in Heterogeneous Catalysis Focus Topic Wednesday Sessions
       Session HC+SS-WeM

Paper HC+SS-WeM1
Vinyl Acetate Formation Pathways and Selectivity on Model Metal Catalyst Surfaces

Wednesday, November 9, 2016, 8:00 am, Room 103A

Session: Bridging Gaps in Heterogeneously-catalyzed Reactions
Presenter: Theodore Thuening, University of Wisconsin-Milwaukee
Correspondent: Click to Email
Surface reaction pathways are explored on model single crystal catalyst surfaces using a combination of surface science experiments in ultrahigh vacuum, in-situ monitoring of the surface intermediates during reaction, and by using density functional theory (DFT) calculations. This approach enables detailed reaction pathways to be obtained and is illustrated using palladium catalyzed synthesis of vinyl acetate monomer (VAM). It is shown that vinyl acetate is formed on a Pd(111) and Pd(100) model catalysts via the so-called Samanos pathway, where reaction is initiated by coupling between ethylene and surface acetate species to form an acetoxyethyl intermediate that decomposes by β-hydride elimination to form VAM. The way in which adsorbate coverage affects both reactivity and selectivity is discussed.