NDLI: Kinetic Parameters for the Elementary Steps in the Palladium-Catalyzed Synthesis of Vinyl Acetate

Content Provider	Springer Nature Link
Author	Calaza, Florencia Stacchiola, Dario Neurock, Matthew Tysoe, Wilfred T.
Copyright Year	2010
Abstract	The kinetics of the reaction between gas-phase ethylene and adsorbed acetate species to form vinyl acetate monomer (VAM) on a Pd(111) surface are measured using infrared spectroscopy to monitor the rate of acetate removal, as well as the rates of VAM and ethylidyne formation, at various temperatures. The results are fit using a kinetic model first proposed by Samanos in which ethylene reacts with acetate species to form an acetoxyethyl intermediate that forms VAM via β-hydride elimination. The results of the kinetic model agree well with the experimental data and Arrhenius plots of the rate constants yield activation energies that are in good agreement with those predicted by density functional theory (DFT) calculations. DFT also predicts that the reaction activation energies should depend on the acetate coverage while the experimental data can be fit by constant values of the rate constants, suggesting that the reaction activation energies are similar for a reaction center surrounded either by acetate species, ethylidynes, or a combination of both. Finally, the kinetic parameters for VAM desorption are in good agreement with the experimental peak temperature measured by temperature-programmed desorption for VAM desorbing from an ethylidyne-covered surface.
Starting Page	135
Ending Page	142
Page Count	8
File Format	PDF
ISSN	1011372X
Journal	Catalysis Letters
Volume Number	138
Issue Number	3-4
e-ISSN	1572879X
Language	English
Publisher	Springer US
Publisher Date	2010-06-16
Publisher Place	Boston
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Vinyl acetate synthesis Density functional theory Pd(111) Reaction kinetics Physical Chemistry Organometallic Chemistry Industrial Chemistry/Chemical Engineering Catalysis
Content Type	Text
Resource Type	Article
Subject	Chemistry Catalysis

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