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Silicon Distribution in SAPO-11 Molecular Sieves: Simulation and Experimental Adsorption Study Научная публикация

Журнал Microporous and Mesoporous Materials
ISSN: 1387-1811 , E-ISSN: 1873-3093
Вых. Данные Год: 2020, Том: 294, Номер статьи : 109906, Страниц : 7 DOI: 10.1016/j.micromeso.2019.109906
Ключевые слова Forcefield; Hydrogen adsorption; Si distribution; Silicoaluminophosphate SAPO-11
Авторы Grenev Ivan V. 1 , Gavrilov Vladimir Yu 1
Организации
1 Boreskov Institute of Catalysis SB RAS

Информация о финансировании (1)

1 Федеральное агентство научных организаций России 0303-2016-0002

Реферат: A method for investigation of the Si distribution in the SAPO-11 structure based on the aggregate of simulation and experimental adsorption methods is suggested. Twelve possible configurations of the silicon location in the SAPO-11 framework corresponding to substitution of one P atom for a (Si,H+) pair in the elementary cell were simulated. The probabilities of silicon localization in each studied configuration were calculated. Hydrogen adsorption at 77 K on AlPO/SAPO was simulated by GCMC method for a fragment of the AEL structure consisting of 2x2x3 elementary cells. A comparison of the experimental and calculated Henry constants made it possible to estimate the silicon concentrations in the bulk of the zeolite crystallites.
Библиографическая ссылка: Grenev I.V. , Gavrilov V.Y.
Silicon Distribution in SAPO-11 Molecular Sieves: Simulation and Experimental Adsorption Study
Microporous and Mesoporous Materials. 2020. V.294. 109906 :1-7. DOI: 10.1016/j.micromeso.2019.109906 WOS Scopus РИНЦ РИНЦ CAPlus OpenAlex
Даты:
Поступила в редакцию: 9 сент. 2019 г.
Принята к публикации: 18 нояб. 2019 г.
Опубликована online: 20 нояб. 2019 г.
Опубликована в печати: 1 мар. 2020 г.
Идентификаторы БД:
Web of science: WOS:000510087900064
Scopus: 2-s2.0-85075829605
РИНЦ: 41667798 | 43214549
Chemical Abstracts: 2019:2268655
OpenAlex: W2989569474
Цитирование в БД:
БД Цитирований
Scopus 8
Web of science 7
РИНЦ 9
OpenAlex 8
Альметрики: