The origin of the particle-size-dependent selectivity in 1-butene isomerization and hydrogenation on Pd/Al(2)O(3) 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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Autores principales: Genest, Alexander, Silvestre-Albero, Joaquín, Li, Wen-Qing, Rösch, Notker, Rupprechter, Günther
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8528898/
https://www.ncbi.nlm.nih.gov/pubmed/34671045
http://dx.doi.org/10.1038/s41467-021-26411-8
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author Genest, Alexander
Silvestre-Albero, Joaquín
Li, Wen-Qing
Rösch, Notker
Rupprechter, Günther
author_facet Genest, Alexander
Silvestre-Albero, Joaquín
Li, Wen-Qing
Rösch, Notker
Rupprechter, Günther
author_sort Genest, Alexander
collection PubMed
description 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.
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spelling pubmed-85288982021-10-22 The origin of the particle-size-dependent selectivity in 1-butene isomerization and hydrogenation on Pd/Al(2)O(3) catalysts Genest, Alexander Silvestre-Albero, Joaquín Li, Wen-Qing Rösch, Notker Rupprechter, Günther Nat Commun Article 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. Nature Publishing Group UK 2021-10-20 /pmc/articles/PMC8528898/ /pubmed/34671045 http://dx.doi.org/10.1038/s41467-021-26411-8 Text en © The Author(s) 2021 https://creativecommons.org/licenses/by/4.0/Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) .
spellingShingle Article
Genest, Alexander
Silvestre-Albero, Joaquín
Li, Wen-Qing
Rösch, Notker
Rupprechter, Günther
The origin of the particle-size-dependent selectivity in 1-butene isomerization and hydrogenation on Pd/Al(2)O(3) catalysts
title The origin of the particle-size-dependent selectivity in 1-butene isomerization and hydrogenation on Pd/Al(2)O(3) catalysts
title_full The origin of the particle-size-dependent selectivity in 1-butene isomerization and hydrogenation on Pd/Al(2)O(3) catalysts
title_fullStr The origin of the particle-size-dependent selectivity in 1-butene isomerization and hydrogenation on Pd/Al(2)O(3) catalysts
title_full_unstemmed The origin of the particle-size-dependent selectivity in 1-butene isomerization and hydrogenation on Pd/Al(2)O(3) catalysts
title_short The origin of the particle-size-dependent selectivity in 1-butene isomerization and hydrogenation on Pd/Al(2)O(3) catalysts
title_sort origin of the particle-size-dependent selectivity in 1-butene isomerization and hydrogenation on pd/al(2)o(3) catalysts
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8528898/
https://www.ncbi.nlm.nih.gov/pubmed/34671045
http://dx.doi.org/10.1038/s41467-021-26411-8
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