The origin of the particle-size-dependent selectivity in 1-butene isomerization and hydrogenation on Pd/Al2O3 catalysts

The selectivity of 1-butene hydrogenation/isomerization on Pd catalysts is known to be particle size dependent. Here we show that combining well-defined model catalysts, atmospheric pressure reaction kinetics, DFT calculations and microkinetic modeling enables to rationalize the particle size effect...

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Published inNature communications Vol. 12; no. 1; p. 6098
Main Authors Genest, Alexander, Silvestre-Albero, Joaquín, Li, Wen-Qing, Rösch, Notker, Rupprechter, Günther
Format Journal Article
LanguageEnglish
Published London Nature Publishing Group UK 20.10.2021
Nature Publishing Group
Nature Portfolio
Subjects
119/118
639/166/898
639/301/299/1013
639/638/77/887
Aluminum oxide
Atmospheric models
Catalysts
Humanities and Social Sciences
Hydrogenation
Isomerization
multidisciplinary
Nanoparticles
Particle size
Reaction kinetics
Science
Science (multidisciplinary)
Selectivity
Size effects
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Summary:The selectivity of 1-butene hydrogenation/isomerization on Pd catalysts is known to be particle size dependent. Here we show that combining well-defined model catalysts, atmospheric pressure reaction kinetics, DFT calculations and microkinetic modeling enables to rationalize the particle size effect based on the abundance and the specific properties of the contributing surface facets. The selectivity of Pd catalysts in 1-butene hydrogenation and isomerization depends on nanoparticle size. Herein, the authors show by combining experiment and modeling that the type and specific properties of the contributing surface facets are decisive for the selectivity.
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ISSN:2041-1723
2041-1723
DOI:10.1038/s41467-021-26411-8