Lewis acid catalysis by Zeolites

G. Li, C. Liu, R. Rohling, E.J.M. Hensen, E.A. Pidko

Onderzoeksoutput: Hoofdstuk in Boek/Rapport/CongresprocedureHoofdstukAcademicpeer review

3 Citaten (Scopus)


This chapter discusses recent developments in theory of Lewis acid zeolite catalysis. Special focus is laid on the role of active site cooperativity and synergistic effects as well as molecular recognition and confinement effects inside zeolite micropores on the reaction mechanisms and catalytic performance. With a selection of recent representative examples from our group, we illustrate the utility of modern computational techniques to reveal fundamental aspects of catalytic phenomena in zeolite micropores, which are not directly accessible to experimental techniques. The role of quantum chemical calculations in revealing the nature of the intrazeolite catalytic active sites is highlighted. Emphasis is placed on the necessity of utilizing realistic zeolite models accounting for the complexity of the intrazeolite reactive site environment.

Originele taal-2Engels
TitelModelling and Simulation in the Science of Micro- and Mesoporous Materials
RedacteurenC.R.A. Catlow, V. van Speybroeck, Rutger van Santen
Plaats van productieUK
Aantal pagina's35
ISBN van elektronische versie9780128050583
ISBN van geprinte versie9780128050576
StatusGepubliceerd - 22 sep 2017


Citeer dit

Li, G., Liu, C., Rohling, R., Hensen, E. J. M., & Pidko, E. A. (2017). Lewis acid catalysis by Zeolites. In C. R. A. Catlow, V. van Speybroeck, & R. van Santen (editors), Modelling and Simulation in the Science of Micro- and Mesoporous Materials (9 redactie, Vol. 2017, blz. 229-263). UK: Elsevier. https://doi.org/10.1016/B978-0-12-805057-6.00007-7