Understanding the window effect in zeolite catalysis

David Dubbeldam, Sofía Calero, Theo L.M. Maesen, Berend Smit

Research output: Contribution to journalArticleAcademicpeer-review

59 Citations (Scopus)

Abstract

Cracking mechanisms in the zeolite literature have traditionally assumed full adsorption. Simulations indicate abnormally low adsorption in ERI-, AFX-, CHA-, RHO-, and KFI-type zeolites for chain lengths close to or longer than the cage size. Very long molecules adsorb partially into a cage near the outer surface. After scission the nonadsorbed part can end up in the product or re-adsorb and undergo another scission. This mechanism is characteristic for cage/window-type zeolites with small windows close to the diameter of the adsorbate (see picture).

Original languageEnglish
Pages (from-to)3624-3626
Number of pages3
JournalAngewandte Chemie - International Edition
Volume42
Issue number31
DOIs
Publication statusPublished - 11 Aug 2003
Externally publishedYes

Keywords

  • Alkanes
  • Catalysis
  • Computer chemistry
  • Cracking
  • Zeolites

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