Modeling of Heterogeneous Surfaces and Characterization of Porous Materials by Extending Density Functional Theory for the Case of Amorphous Solids Научная публикация
Конференция |
6th International Symposium of Surface Heterogeneity Effects in Adsorption and Catalysis on Solids 28 авг. - 2 сент. 2006 , Zakopane |
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Журнал |
Applied Surface Science
ISSN: 0169-4332 |
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Вых. Данные | Год: 2007, Том: 253, Номер: 13, Страницы: 5610-5615 Страниц : 6 DOI: 10.1016/j.apsusc.2006.12.073 | ||||||
Ключевые слова | Activated carbons, Amorphous surface, Characterization, Density functional theory | ||||||
Авторы |
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Организации |
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Информация о финансировании (2)
1 | Российский фонд фундаментальных исследований | 06-03-32268 |
2 | Australian Research Council |
Реферат:
A method of characterization of carbonaceous materials using nongraphitized carbon black as a reference is considered. The Tarazona density functional theory was applied to amorphous solids to describe nitrogen adsorption on nongraphitized carbon black. This allows us to describe energetic heterogeneity without the need to invoke any energy distribution functions. To derive the pore size distribution (PSD) of porous carbon whose pore walls are non-graphitized, we used the entropy concept in the regularization method. With this approach PSD is more well-behaved than that obtained with the usual means. We applied this new theory to study the effects of technological parameters on porous structure of a series of activated carbon.
Библиографическая ссылка:
Ustinov E.A.
, Do D.D.
, Fenelonov V.B.
Modeling of Heterogeneous Surfaces and Characterization of Porous Materials by Extending Density Functional Theory for the Case of Amorphous Solids
Applied Surface Science. 2007. V.253. N13. P.5610-5615. DOI: 10.1016/j.apsusc.2006.12.073 WOS Scopus РИНЦ
Modeling of Heterogeneous Surfaces and Characterization of Porous Materials by Extending Density Functional Theory for the Case of Amorphous Solids
Applied Surface Science. 2007. V.253. N13. P.5610-5615. DOI: 10.1016/j.apsusc.2006.12.073 WOS Scopus РИНЦ
Даты:
Опубликована online: | 27 дек. 2006 г. |
Опубликована в печати: | 30 апр. 2007 г. |
Идентификаторы БД:
Web of science | WOS:000246544300009 |
Scopus | 2-s2.0-34247159881 |
РИНЦ | 13544992 |
Chemical Abstracts | 2007:449231 |
Chemical Abstracts (print) | 148:593759 |
OpenAlex | W1991266885 |