Sciact
  • EN
  • RU

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
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 Grenev Ivan V. 1 , Gavrilov Vladimir Yu 1
Affiliations
1 Boreskov Institute of Catalysis SB RAS

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
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
Citing:
DB Citing
Scopus 8
Web of science 7
Elibrary 9
OpenAlex 8
Altmetrics: