Calculation of Microchannel Parameters in Aluminophosphate Zeolites Full article
| Journal |
Microporous and Mesoporous Materials
ISSN: 1387-1811 , E-ISSN: 1873-3093 |
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| Output data | Year: 2015, Volume: 208, Pages: 36-43 Pages count : 8 DOI: 10.1016/j.micromeso.2015.01.031 | ||
| Tags | fragment, Henry constants for H2 adsorption at 77 K, Isopotential surface of H2 adsorption, Model of the AlPO zeolite structure, Potential of paired adsorption interaction, Real shape and volume of microchannels | ||
| Authors |
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| Affiliations |
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Funding (1)
| 1 | Russian Foundation for Basic Research | 14-03-31372 |
Abstract:
Adsorption interaction of molecular hydrogen with framework atoms of aluminophosphate zeolites AlPO-5, -11, -8 and -36 were analyzed using a representative fragment of the structure with the volume about 32 nm3. Isopotential surfaces of the interaction between molecules were calculated. Isopotential surfaces with zero adsorption potential outline the shape of microchannels. Theoretical values of the zeolite microchannel volumes were calculated. Places for preferential localization of the sorbate molecules in the zeolite structure (places with the lowest adsorption potential) were determined for the Henry adsorption isotherm range. Calculated and experimental values of Henry constants for hydrogen adsorption at 77 K were compared.
Cite:
Grenev I.V.
, Gavrilov V.Y.
Calculation of Microchannel Parameters in Aluminophosphate Zeolites
Microporous and Mesoporous Materials. 2015. V.208. P.36-43. DOI: 10.1016/j.micromeso.2015.01.031 WOS Scopus РИНЦ ANCAN OpenAlex
Calculation of Microchannel Parameters in Aluminophosphate Zeolites
Microporous and Mesoporous Materials. 2015. V.208. P.36-43. DOI: 10.1016/j.micromeso.2015.01.031 WOS Scopus РИНЦ ANCAN OpenAlex
Dates:
| Submitted: | Dec 12, 2014 |
| Accepted: | Jan 21, 2015 |
| Published online: | Jan 29, 2015 |
| Published print: | May 1, 2015 |
Identifiers:
| Web of science: | WOS:000352927000004 |
| Scopus: | 2-s2.0-84922521906 |
| Elibrary: | 23132646 |
| Chemical Abstracts: | 2015:196168 |
| Chemical Abstracts (print): | 162:358913 |
| OpenAlex: | W1978338845 |