Diffusion Model for Gas Replacement in an Isostructural CH 4 -CO 2 Hydrate System
© 2017 American Chemical Society. Guest exchange in clathrates is a complex activated phenomenon of the guest-host cage interaction on the molecular-scale level. To model this process, we develop a mathematical description for the nonequilibrium binary permeation of guest molecules during gas replac...
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ftneicon:oai:rour.neicon.ru:rour/168967 2023-05-15T17:12:00+02:00 Diffusion Model for Gas Replacement in an Isostructural CH 4 -CO 2 Hydrate System Salamatin A. Falenty A. Kuhs W. 2017 https://openrepository.ru/article?id=168967 unknown Journal of Physical Chemistry C 33 121 17603 http://rour.neicon.ru:80/xmlui/bitstream/rour/168967/1/nora.pdf 1932-7447 https://openrepository.ru/article?id=168967 SCOPUS19327447-2017-121-33-SID85028064480 Article 2017 ftneicon 2020-07-21T11:57:50Z © 2017 American Chemical Society. Guest exchange in clathrates is a complex activated phenomenon of the guest-host cage interaction on the molecular-scale level. To model this process, we develop a mathematical description for the nonequilibrium binary permeation of guest molecules during gas replacement based on the microscopic "hole-in-cage-wall" diffusive mechanism. The transport of gas molecules is envisaged as a series of jumps between occupied and empty neighboring cages without any significant lattice restructuring in the bulk. The gas exchange itself is seen as two-stage swapping initiated by almost instantaneous formation of a mixed hydrate layer on the hydrate surface followed by a much slower permeation-controlled process. The model is constrained by and validated with available time-resolved neutron diffraction data of the isostructural CH 4 guest replacement by CO 2 in methane hydrate, a process of possible importance for the sequestration of CO 2 with concomitant recovery of CH 4 in marine gas hydrates. (Graph Presented). Article in Journal/Newspaper Methane hydrate NORA (National aggregator of open repositories of Russian universities) |
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NORA (National aggregator of open repositories of Russian universities) |
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© 2017 American Chemical Society. Guest exchange in clathrates is a complex activated phenomenon of the guest-host cage interaction on the molecular-scale level. To model this process, we develop a mathematical description for the nonequilibrium binary permeation of guest molecules during gas replacement based on the microscopic "hole-in-cage-wall" diffusive mechanism. The transport of gas molecules is envisaged as a series of jumps between occupied and empty neighboring cages without any significant lattice restructuring in the bulk. The gas exchange itself is seen as two-stage swapping initiated by almost instantaneous formation of a mixed hydrate layer on the hydrate surface followed by a much slower permeation-controlled process. The model is constrained by and validated with available time-resolved neutron diffraction data of the isostructural CH 4 guest replacement by CO 2 in methane hydrate, a process of possible importance for the sequestration of CO 2 with concomitant recovery of CH 4 in marine gas hydrates. (Graph Presented). |
format |
Article in Journal/Newspaper |
author |
Salamatin A. Falenty A. Kuhs W. |
spellingShingle |
Salamatin A. Falenty A. Kuhs W. Diffusion Model for Gas Replacement in an Isostructural CH 4 -CO 2 Hydrate System |
author_facet |
Salamatin A. Falenty A. Kuhs W. |
author_sort |
Salamatin A. |
title |
Diffusion Model for Gas Replacement in an Isostructural CH 4 -CO 2 Hydrate System |
title_short |
Diffusion Model for Gas Replacement in an Isostructural CH 4 -CO 2 Hydrate System |
title_full |
Diffusion Model for Gas Replacement in an Isostructural CH 4 -CO 2 Hydrate System |
title_fullStr |
Diffusion Model for Gas Replacement in an Isostructural CH 4 -CO 2 Hydrate System |
title_full_unstemmed |
Diffusion Model for Gas Replacement in an Isostructural CH 4 -CO 2 Hydrate System |
title_sort |
diffusion model for gas replacement in an isostructural ch 4 -co 2 hydrate system |
publishDate |
2017 |
url |
https://openrepository.ru/article?id=168967 |
genre |
Methane hydrate |
genre_facet |
Methane hydrate |
op_source |
SCOPUS19327447-2017-121-33-SID85028064480 |
op_relation |
Journal of Physical Chemistry C 33 121 17603 http://rour.neicon.ru:80/xmlui/bitstream/rour/168967/1/nora.pdf 1932-7447 https://openrepository.ru/article?id=168967 |
_version_ |
1766068751866789888 |