A DFT study of the isomerization reactions of aromatics catalyzed by acidic zeolites.

X. Rozanska, R.A. Santen, van, F. Hutschka, J. Hafner

Onderzoeksoutput: Hoofdstuk in Boek/Rapport/CongresprocedureConferentiebijdrageAcademicpeer review

Samenvatting

A DFT study of the isomerization reactions of toluene catalyzed by acidic zeolite is reported. Monomol. isomerization reactions have been considered and analyzed The different reaction pathways have been discussed in detail. The uses of periodical structure calcns. as well as small cluster approach method calcns. allow to analyze the effect of zeolite electrostatic contributions and steric constraints on reactivity
Originele taal-2Engels
TitelZeolites and Mesoporous Materials at the Dawn of the 21st Century
RedacteurenA. Galarneau
Plaats van productieAmsterdam
UitgeverijElsevier
Pagina's2596-2603
ISBN van geprinte versie0-444-50238-6
DOI's
StatusGepubliceerd - 2001
Evenementconference; 13th International Zeolite Conference, Montpellier, France, 8 - 13 July 2001; 2001-07-08; 2001-07-13 -
Duur: 8 jul 200113 jul 2001

Publicatie series

NaamStudies in Surface Science and Catalysis
Volume135
ISSN van geprinte versie0167-2991

Congres

Congresconference; 13th International Zeolite Conference, Montpellier, France, 8 - 13 July 2001; 2001-07-08; 2001-07-13
Periode8/07/0113/07/01
Ander13th International Zeolite Conference, Montpellier, France, 8 - 13 July 2001

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  • Citeer dit

    Rozanska, X., Santen, van, R. A., Hutschka, F., & Hafner, J. (2001). A DFT study of the isomerization reactions of aromatics catalyzed by acidic zeolites. In A. Galarneau (editor), Zeolites and Mesoporous Materials at the Dawn of the 21st Century (blz. 2596-2603). (Studies in Surface Science and Catalysis; Vol. 135). Elsevier. https://doi.org/10.1016/S0167-2991(01)81559-7