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 |
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| 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 |
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| Организации |
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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
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 |