Quantitative Analysis of Liquid-Phase Adsorption over Chromium-Containing Metal–Organic Frameworks of MTN Topology
Научная публикация
| Общее |
Язык:
Английский,
Жанр:
Статья (Full article),
Статус опубликования:
В печати (In Press),
Оригинальность:
Оригинальная
|
| Журнал |
Adsorption
ISSN: 0929-5607
, E-ISSN: 1572-8757
|
| Вых. Данные |
Год: 2021,
DOI:
10.1007/s10450-020-00287-4
|
| Ключевые слова |
Metal–organic frameworks · Adsorption · Modelling · DFT |
| Авторы |
Brazhnik Daria V.
1,2
,
Skobelev Igor Y.
2
,
Kovalenko Konstantin A.
1,3
,
Kholdeeva Oxana A.
2
|
| Организации |
| 1 |
Novosibirsk State University, Novosibirsk, Russia
|
| 2 |
Boreskov Institute of Catalysis, Novosibirsk, Russia
|
| 3 |
Nikolaev Institute of Inorganic Chemistry, Novosibirsk, Russia
|
|
Информация о финансировании (2)
|
1
|
Российский фонд фундаментальных исследований
|
18-29-04022
|
|
2
|
Российский фонд фундаментальных исследований
|
18-03-00783
|
Excess adsorption of cyclohexanone, cyclohexanol and tert-butanol over metal–organic frameworks Cr-MIL-100 and structurally close Cr-MIL-101 from n-hexane was measured at room temperature. Apparent adsorption equilibrium constants were calculated under the assumption of monolayer adsorption. Two types of adsorption centers turned out to be enough to build a model of experimental isotherms for cyclohexanone, cyclohexanol, and tert-butanol. The first type of centers is characterized by a high value of adsorption equilibrium constant, 1 × 103–3 × 103, and the fraction of such centers is ca. 0.2 for cyclohexanone and tert-butanol and ca. 0.4 for cyclohexanol. The second type of centers possesses a relatively low affinity to guest molecules (the adsorption equilibrium constant varies from 1.8 to 9) and occupies the rest of the surface of the adsorbent The centers with a strong affinity to oxygen-containing guests are associated with chromium atoms within MIL framework.