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Enhanced Adsorption Selectivity of Carbon Dioxide and Ethane on Porous Metal–Organic Framework Functionalized by a Sulfur-Rich Heterocycle Научная публикация

Журнал Nanomaterials
ISSN: 2079-4991
Вых. Данные Год: 2022, Том: 12, Номер: 23, Номер статьи : 4281, Страниц : 14 DOI: 10.3390/nano12234281
Авторы Dubskikh Vadim A. 1 , Kovalenko Konstantin A. 1 , Nizovtsev Anton S. 1,2 , Lysova Anna A. 1 , Samsonenko Denis G. 1 , Dybtsev Danil N. 1 , Fedin Vladimir P. 1
Организации
1 Nikolaev Institute of Inorganic Chemistry, Siberian Branch of Russian Academy of Sciences, 3 Acad. Lavrentiev Ave., Novosibirsk 630090, Russia
2 Novosibirsk State University, 2 Pirogov Street, Novosibirsk 630090, Russia

Реферат: Porous metal–organic framework [Zn2(ttdc)2(bpy)] (1) based on thieno [3,2-b]thiophenedicarboxylate (ttdc) was synthesized and characterized. The structure contains intersected zig-zag channels with an average aperture of 4 × 6 Å and a 49% (v/v) guest-accessible pore volume. Gas adsorption studies confirmed the microporous nature of 1 with a specific surface area (BET model) of 952 m2·g–1 and a pore volume of 0.37 cm3·g–1. Extensive CO2, N2, O2, CO, CH4, C2H2, C2H4 and C2H6 gas adsorption experiments at 273 K and 298 K were carried out, which revealed the great adsorption selectivity of C2H6 over CH4 (IAST selectivity factor 14.8 at 298 K). The sulfur-rich ligands and double framework interpenetration in 1 result in a dense decoration of the inner surface by thiophene heterocyclic moieties, which are known to be effective secondary adsorption sites for carbon dioxide. As a result, remarkable CO2 adsorption selectivities were obtained for CO2/CH4 (11.7) and CO2/N2 (27.2 for CO2:N2 = 1:1, 56.4 for CO2:N2 = 15:85 gas mixtures). The computational DFT calculations revealed the decisive role of the sulfur-containing heterocycle moieties in the adsorption of CO2 and C2H6. High CO2 adsorption selectivity values and a relatively low isosteric heat of CO2 adsorption (31.4 kJ·mol–1) make the porous material 1 a promising candidate for practical separation of biogas as well as for CO2 sequestration from flue gas or natural gas.
Библиографическая ссылка: Dubskikh V.A. , Kovalenko K.A. , Nizovtsev A.S. , Lysova A.A. , Samsonenko D.G. , Dybtsev D.N. , Fedin V.P.
Enhanced Adsorption Selectivity of Carbon Dioxide and Ethane on Porous Metal–Organic Framework Functionalized by a Sulfur-Rich Heterocycle
Nanomaterials. 2022. V.12. N23. 4281 :1-14. DOI: 10.3390/nano12234281 WOS Scopus OpenAlex
Даты:
Поступила в редакцию: 31 окт. 2022 г.
Принята к публикации: 28 нояб. 2022 г.
Опубликована online: 1 дек. 2022 г.
Идентификаторы БД:
Web of science: WOS:000896177700001
Scopus: 2-s2.0-85143697038
OpenAlex: W4311106116
Цитирование в БД:
БД Цитирований
Web of science 7
Scopus 7
OpenAlex 8
Альметрики: