Adsorption Interaction in H2 - ZSM-5 System and Calculation of the Zeolite Microchannel Parameters Full article
| Journal |
Microporous and Mesoporous Materials
ISSN: 1387-1811 , E-ISSN: 1873-3093 |
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| Output data | Year: 2016, Volume: 226, Pages: 146-152 Pages count : 7 DOI: 10.1016/j.micromeso.2015.12.042 | ||
| Tags | Henry constants for H2 adsorption at 77 K, Microchannel shape and volume, Model of ZSM-5 zeolite and silicalite-1 structure fragment, Pair adsorption interaction potential, Zero potential surfaces for hydrogen adsorption | ||
| Authors |
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| Affiliations |
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Funding (2)
| 1 | Federal Agency for Scientific Organizations | V.44.1.15. |
| 2 | Russian Foundation for Basic Research | 14-03-31372 |
Abstract:
The adsorption interaction of molecular hydrogen with atoms of silicalite-1 and HZSM-5 zeolite frameworks was studied using a representative fragment of the structure including 27 elementary cells with total volume 144 nm3. Potentials of the adsorption interaction between the sorbate molecules and the lattice atoms (O, Si, Al) were calculated. Isopotential surfaces of the intermolecular interaction were also calculated. The isopotential surface with zero adsorption potential Ф0 determines the microchannel shape and topology. Theoretical volumes of the zeolite microchannels and geometrical surface areas Ф0 were calculated. Places where the sorbate molecules are preferentially localized in the zeolite structure (places with the lowest adsorption potential) in the Henry adsorption isotherm region were determined. The calculated and experimental values of the Henry constant for H2 adsorption at 77 K were compared.
Cite:
Grenev I.I.
, Gavrilov V.Y.
Adsorption Interaction in H2 - ZSM-5 System and Calculation of the Zeolite Microchannel Parameters
Microporous and Mesoporous Materials. 2016. V.226. P.146-152. DOI: 10.1016/j.micromeso.2015.12.042 WOS Scopus РИНЦ ANCAN OpenAlex
Adsorption Interaction in H2 - ZSM-5 System and Calculation of the Zeolite Microchannel Parameters
Microporous and Mesoporous Materials. 2016. V.226. P.146-152. DOI: 10.1016/j.micromeso.2015.12.042 WOS Scopus РИНЦ ANCAN OpenAlex
Dates:
| Submitted: | Nov 26, 2015 |
| Accepted: | Dec 22, 2015 |
| Published online: | Dec 30, 2015 |
| Published print: | May 15, 2016 |
Identifiers:
| Web of science: | WOS:000373419400019 |
| Scopus: | 2-s2.0-84954289700 |
| Elibrary: | 25994634 |
| Chemical Abstracts: | 2016:51567 |
| Chemical Abstracts (print): | 164:257553 |
| OpenAlex: | W2218800310 |