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
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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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Abstract 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.
AbstractList 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.
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.
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.
Abstract 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 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.
ArticleNumber 6098
Author Silvestre-Albero, Joaquín
Genest, Alexander
Rösch, Notker
Rupprechter, Günther
Li, Wen-Qing
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  fullname: Genest, Alexander
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  givenname: Wen-Qing
  surname: Li
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  organization: Institute of High Performance Computing, Agency for Science, Technology and Research
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  givenname: Notker
  orcidid: 0000-0002-4769-4332
  surname: Rösch
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  surname: Rupprechter
  fullname: Rupprechter, Günther
  email: guenther.rupprechter@tuwien.ac.at
  organization: Institute of Materials Chemistry, Technische Universität Wien
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  publication-title: J. Chem. Educ.
  doi: 10.1021/ed300437k
  contributor:
    fullname: B Mattson
– volume: 44
  start-page: 629
  year: 2005
  ident: 26411_CR23
  publication-title: Angew. Chem. Int. Ed.
  doi: 10.1002/anie.200461614
  contributor:
    fullname: AM Doyle
SSID ssj0000391844
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Snippet 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...
Abstract The selectivity of 1-butene hydrogenation/isomerization on Pd catalysts is known to be particle size dependent. Here we show that combining...
The selectivity of Pd catalysts in 1-butene hydrogenation and isomerization depends on nanoparticle size. Herein, the authors show by combining experiment and...
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SubjectTerms 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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Title The origin of the particle-size-dependent selectivity in 1-butene isomerization and hydrogenation on Pd/Al2O3 catalysts
URI https://link.springer.com/article/10.1038/s41467-021-26411-8
https://www.proquest.com/docview/2583698684
https://search.proquest.com/docview/2585459177
https://pubmed.ncbi.nlm.nih.gov/PMC8528898
https://doaj.org/article/f10be24e23954ddf94bf38578dcbf1f7
Volume 12
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