Mechanistic Study of 1,3-Butadiene Formation in Acetylene Hydrogenation over the Pd-Based Catalysts Using Density Functional Calculations
Author:
Affiliation:
1. CenTACat, School of Chemistry and Chemical Engineering, The Queen’s University of Belfast, Belfast BT9 5AG, United Kingdom
2. Johnson Matthey Catalysts, P.O. Box 1, Billingham, Teesside TS23 1LB, United Kingdom
Publisher
American Chemical Society (ACS)
Subject
Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials
Link
https://pubs.acs.org/doi/pdf/10.1021/jp408807c
Reference54 articles.
1. Selective Hydrogenation of Ethyne in Ethene‐Rich Streams on Palladium Catalysts. Part 1. Effect of Changes to the Catalyst During Reaction
2. Selective Hydrogenation of Ethyne in Ethene‐Rich Streams on Palladium Catalysts, Part 2: Steady‐State Kinetics and Effects of Palladium Particle Size, Carbon Monoxide, and Promoters
3. Origin of the Increase of Activity and Selectivity of Nickel Doped by Au, Ag, and Cu for Acetylene Hydrogenation
4. Influence of surface structures, subsurface carbon and hydrogen, and surface alloying on the activity and selectivity of acetylene hydrogenation on Pd surfaces: A density functional theory study
5. Bailey, S.; Bonne, R. L. C.; Booth, J. S.; Griffiths, C.; Watson, M. J.Selective Hydrogenation Process and Catalyst Therefor. WO/2004/108638, December 16, 2004
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