Calculation of Adsorption Properties of Aluminophosphate and Aluminosilicate Zeolites Full article
| Journal |
Adsorption
ISSN: 0929-5607 , E-ISSN: 1572-8757 |
||
|---|---|---|---|
| Output data | Year: 2017, Volume: 23, Number: 6, Pages: 903-915 Pages count : 13 DOI: 10.1007/s10450-017-9903-4 | ||
| Tags | Adsorbate–adsorbent interaction potential, Aluminophosphate and aluminosilicate zeolites, Henry constant for H2 adsorption at 77 K, Shape and volume of microchannels | ||
| Authors |
|
||
| Affiliations |
|
Funding (1)
| 1 | Federal Agency for Scientific Organizations | 0303-2016-0002 |
Abstract:
Adsorption interaction of molecular hydrogen with atomic lattice of aluminophosphate AlPO-n and aluminosilicate zeolites H-ZSM-5 has been studied using representative structural fragments including several unit cells with the volumes ranging from 32 to 144 nm3 for different zeolites. Two original methods have been suggested for description of the sorbate-sorbent system: integral and discrete ones. The integral method uses a simplified model of the pore space, which made it possible to obtain the Henry constant dependence on the channel size in an analytic form. The discrete method takes into account the adsorption interaction of the sorbate molecule with all atoms of the structural fragment. Potentials of the adsorption interaction between the sorbate molecule and the lattice atoms (O, Si, Al, P) have been calculated. Equipotential surfaces of interaction between molecules have been also calculated. The equipotential surface with zero adsorption potential Ф0(r) determines the shape and parameters of the zeolite microchannels.
Cite:
Grenev I.V.
, Gavrilov V.Y.
Calculation of Adsorption Properties of Aluminophosphate and Aluminosilicate Zeolites
Adsorption. 2017. V.23. N6. P.903-915. DOI: 10.1007/s10450-017-9903-4 WOS Scopus РИНЦ AN OpenAlex
Calculation of Adsorption Properties of Aluminophosphate and Aluminosilicate Zeolites
Adsorption. 2017. V.23. N6. P.903-915. DOI: 10.1007/s10450-017-9903-4 WOS Scopus РИНЦ AN OpenAlex
Dates:
| Submitted: | Mar 31, 2017 |
| Accepted: | Aug 1, 2017 |
| Published print: | Aug 1, 2017 |
| Published online: | Aug 17, 2017 |
Identifiers:
| Web of science: | WOS:000408090500013 |
| Scopus: | 2-s2.0-85027715030 |
| Elibrary: | 29833024 |
| Chemical Abstracts: | 2017:1350145 |
| OpenAlex: | W2745508483 |