Silicon Distribution in SAPO-11 Molecular Sieves: Simulation and Experimental Adsorption Study Full article
| Journal |
Microporous and Mesoporous Materials
ISSN: 1387-1811 , E-ISSN: 1873-3093 |
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| Output data | Year: 2020, Volume: 294, Article number : 109906, Pages count : 7 DOI: 10.1016/j.micromeso.2019.109906 | ||
| Tags | Forcefield; Hydrogen adsorption; Si distribution; Silicoaluminophosphate SAPO-11 | ||
| Authors |
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| Affiliations |
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Funding (1)
| 1 | Federal Agency for Scientific Organizations | 0303-2016-0002 |
Abstract:
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.
Cite:
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 AN 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 AN OpenAlex
Dates:
| Submitted: | Sep 9, 2019 |
| Accepted: | Nov 18, 2019 |
| Published online: | Nov 20, 2019 |
| Published print: | Mar 1, 2020 |
Identifiers:
| Web of science: | WOS:000510087900064 |
| Scopus: | 2-s2.0-85075829605 |
| Elibrary: | 41667798 | 43214549 |
| Chemical Abstracts: | 2019:2268655 |
| OpenAlex: | W2989569474 |