Relationships Between the Structure of a Zeolite and Its Adsorption Properties Full article
Journal |
Surface Science
ISSN: 0039-6028 |
||||
---|---|---|---|---|---|
Output data | Year: 1998, Volume: 397, Number: 1-3, Pages: 395-405 Pages count : 11 DOI: 10.1016/S0039-6028(97)00760-7 | ||||
Tags | Clusters, Density functional calculations, Equilibrium thermodynamics and statistical mechanics, Nitrogen, Physical adsorption, Solid-gas interfaces, Zeolites | ||||
Authors |
|
||||
Affiliations |
|
Abstract:
The adsorption of N2 has been studied in different Na-LSX Zeolites, using an embedded cluster approach. Embedded cation-molecule systems modeling sites II and sites III of ideal LSX zeolites (Si/Al=1) have been treated quantum chemically, using a method based on density functional theory. Two experimental structures have been compared with two artificially modified structures. The adsorption strength of the cationic sites is correlated with the values of the electric field and electric field gradient in the supercages.
Cite:
Arbuznikov A.
, Vasilyev V.
, Goursot A.
Relationships Between the Structure of a Zeolite and Its Adsorption Properties
Surface Science. 1998. V.397. N1-3. P.395-405. DOI: 10.1016/S0039-6028(97)00760-7 WOS Scopus РИНЦ
Relationships Between the Structure of a Zeolite and Its Adsorption Properties
Surface Science. 1998. V.397. N1-3. P.395-405. DOI: 10.1016/S0039-6028(97)00760-7 WOS Scopus РИНЦ
Dates:
Submitted: | Jun 26, 1997 |
Accepted: | Sep 22, 1997 |
Published print: | Feb 1, 1998 |
Published online: | Mar 30, 2000 |
Identifiers:
Web of science | WOS:000072643900047 |
Scopus | 2-s2.0-0031988860 |
Elibrary | 13298440 |
Chemical Abstracts | 1998:209324 |
Chemical Abstracts (print) | 128:326939 |
OpenAlex | W1986588993 |