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A Novel Adsorption-Based Method for Revealing the Si Distribution in SAPO Molecular Sieves: The Case of SAPO-11 Научная публикация

Журнал Microporous and Mesoporous Materials
ISSN: 1387-1811
Вых. Данные Год: 2021, Том: 328, Номер статьи : 111503, Страниц : 8 DOI: 10.1016/j.micromeso.2021.111503
Авторы Grenev Ivan V. 1,2 , Klimkin Nikita D. 1,2 , Shamanaeva Irina A. 1 , Shubin Aleksandr A. 1,2 , Chetyrin Igor A. 1 , Gavrilov Vladimir Yu 1
Организации
1 Boreskov Institute of Catalysis SB RAS, 5 Lavrentieva St., Novosibirsk, 630090, Russia
2 Novosibirsk State University, 1 Pirogova St., Novosibirsk, 630090, Russia
Реферат: A novel adsorption-based method for quantitative estimation of the phosphorus atom replacement for a (Si, H+) pair in the SAPO-11 framework is suggested. The most probable configurations and regularities in the location of silicon atoms and protons in the SAPO-11 structure containing 1, 2, 3 and 5 Si atoms per unit cell were determined by computations. A new force field for adsorption simulation in the H2 – SAPO system was developed. The dependence of averaged Henry's constants for H2 adsorption at 77 K on the amount of substituted Si was calculated. The effect of model used for computation of the Si distribution probability in the SAPO-11 on the adsorption properties in the H2 – SAPO system was studied. Practical applications of the method for several SAPO-11 frameworks with different Si concentrations are demonstrated.
Библиографическая ссылка: Grenev I.V. , Klimkin N.D. , Shamanaeva I.A. , Shubin A.A. , Chetyrin I.A. , Gavrilov V.Y.
A Novel Adsorption-Based Method for Revealing the Si Distribution in SAPO Molecular Sieves: The Case of SAPO-11
Microporous and Mesoporous Materials. 2021. V.328. 111503 :1-8. DOI: 10.1016/j.micromeso.2021.111503 WOS Scopus РИНЦ CAPlus OpenAlex Sciact
Даты:
Поступила в редакцию: 2 авг. 2021 г.
Принята к публикации: 11 окт. 2021 г.
Опубликована online: 15 окт. 2021 г.
Опубликована в печати: 1 дек. 2021 г.
Идентификаторы БД:
Web of science: WOS:000709959400007
Scopus: 2-s2.0-85117179686
РИНЦ: 47516037
Chemical Abstracts: 2021:2317023
OpenAlex: W3205089939
Sciact: 44832
Цитирование в БД:
БД Цитирований
OpenAlex 5
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