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Multiscale modeling of reaction and diffusion in Zeolites
Citation Link: https://doi.org/10.15480/882.852
Other Titles
Multiskalenmodellierung von Reaktion und Diffusion in Zeolithen
Publikationstyp
Doctoral Thesis
Date Issued
2010
Sprache
English
Author(s)
Advisor
Keil, Frerich J.
Title Granting Institution
Technische Universität Hamburg
Place of Title Granting Institution
Hamburg
Examination Date
2010-02-23
Institut
TORE-DOI
Two industrially important heterogeneously catalyzed reactions, N2O decomposition over Fe-ZSM-5 and benzene alkylation over H-ZSM-5 are studied by means of multiscale modeling. The interplay between multicomponent adsorption, diffusion and intrinsic reaction kinetics is simulated based on data obtained from molecular modeling and the influence of the reaction conditions on the apparent reaction kinetics is investigated.
Subjects
Katalyse
Zeolithe
Diffusion
Alkylierung
Dichtefunktionaltheorie
catalysis
zeolites
diffusion
alkylation
density functional theory
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