Relationships Between the Structure of a Zeolite and Its Adsorption Properties Научная публикация
Журнал |
Surface Science
ISSN: 0039-6028 |
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Вых. Данные | Год: 1998, Том: 397, Номер: 1-3, Страницы: 395-405 Страниц : 11 DOI: 10.1016/S0039-6028(97)00760-7 | ||||
Ключевые слова | Clusters, Density functional calculations, Equilibrium thermodynamics and statistical mechanics, Nitrogen, Physical adsorption, Solid-gas interfaces, Zeolites | ||||
Авторы |
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Организации |
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Реферат:
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.
Библиографическая ссылка:
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
Даты:
Поступила в редакцию: | 26 июн. 1997 г. |
Принята к публикации: | 22 сент. 1997 г. |
Опубликована в печати: | 1 февр. 1998 г. |
Опубликована online: | 30 мар. 2000 г. |
Идентификаторы БД:
Web of science | WOS:000072643900047 |
Scopus | 2-s2.0-0031988860 |
РИНЦ | 13298440 |
Chemical Abstracts | 1998:209324 |
Chemical Abstracts (print) | 128:326939 |
OpenAlex | W1986588993 |