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Adsorption and diffusion in zeolites : the pitfall of isotypic crystal structures
Citation Link: https://doi.org/10.15480/882.1457
Publikationstyp
Journal Article
Date Issued
2011-06-27
Sprache
English
Author(s)
Institut
TORE-DOI
Journal
Volume
37 (2011)
Issue
12
Start Page
986
End Page
989
Citation
Molecular simulation 37 (2011), 12, pp. 986-989
Publisher DOI
Scopus ID
Publisher
Taylor & Francis
The influence of isotypic crystal structures on adsorption and diffusion of methane in all-silica LTA, SAS and ITE zeolites is studied. Results obtained with the experimental structures are compared with structure predictions and approximations that are commonly employed. The results indicate that diffusion coefficients are much more affected than Henry coefficients. In fact, orders of magnitude deviations in the diffusivity can be observed and a systematic parameter study finally gives rise to the correlation between structure sensitivity and diffusion-window size.
Subjects
transport
zeolite
thermodynamics
crystal structure
hydrocarbons
diffusion
adsorption
DDC Class
540: Chemie
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