On the Problem of Differentiation of Acetone Adsorption Species on the Silica Gel: Molecular Models of Adsorption Complexes Научная публикация
Конференция |
Physical Methods for Catalytic Research at the Molecular Level: International memorial K.I. Zamaraev conference 28 июн. - 2 июл. 1999 , Novosibirsk |
||
---|---|---|---|
Журнал |
Journal of Molecular Catalysis A: Chemical
ISSN: 1381-1169 |
||
Вых. Данные | Год: 2000, Том: 158, Номер: 1, Страницы: 281-285 Страниц : 5 DOI: 10.1016/S1381-1169(00)00091-1 | ||
Ключевые слова | Ab initio calculations, Acetone, Adsorption, Silica gel surface | ||
Авторы |
|
||
Организации |
|
Информация о финансировании (1)
1 | Российский фонд фундаментальных исследований | 96-15-97571 |
Реферат:
In the framework of the cluster approach ab initio calculations of the adsorption complexes of acetone molecule with an isolated terminal OH group of a silica gel (S1), with the fragment including hydrogen-bonded OH group (S2) and with two separated terminal OH groups simulating bifurcated acetone interaction (S3) were carried out. It is found that the difference between the stability of acetone complexes S1 and S2 is insignificant, and it is concluded that the bifurcated acetone interaction could result in a more stable adsorption form of acetone with the silica gel.
Библиографическая ссылка:
Kachurovskaya N.A.
, Zhidomirov G.M.
, Aristov Y.I.
On the Problem of Differentiation of Acetone Adsorption Species on the Silica Gel: Molecular Models of Adsorption Complexes
Journal of Molecular Catalysis A: Chemical. 2000. V.158. N1. P.281-285. DOI: 10.1016/S1381-1169(00)00091-1 WOS Scopus РИНЦ
On the Problem of Differentiation of Acetone Adsorption Species on the Silica Gel: Molecular Models of Adsorption Complexes
Journal of Molecular Catalysis A: Chemical. 2000. V.158. N1. P.281-285. DOI: 10.1016/S1381-1169(00)00091-1 WOS Scopus РИНЦ
Даты:
Опубликована online: | 18 июл. 2000 г. |
Опубликована в печати: | 8 сент. 2000 г. |
Идентификаторы БД:
Web of science | WOS:000089201200034 |
Scopus | 2-s2.0-0034622688 |
РИНЦ | 13347802 |
Chemical Abstracts | 2000:498695 |
Chemical Abstracts (print) | 133:325960 |
OpenAlex | W2078905854 |