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Diffusion Model for Gas Replacement in an Isostructural CH<inf>4</inf>-CO<inf>2</inf> Hydrate System

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dc.contributor.author Salamatin A.
dc.contributor.author Falenty A.
dc.contributor.author Kuhs W.
dc.date.accessioned 2018-04-05T07:10:10Z
dc.date.available 2018-04-05T07:10:10Z
dc.date.issued 2017
dc.identifier.issn 1932-7447
dc.identifier.uri http://dspace.kpfu.ru/xmlui/handle/net/130253
dc.description.abstract © 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).
dc.relation.ispartofseries Journal of Physical Chemistry C
dc.title Diffusion Model for Gas Replacement in an Isostructural CH<inf>4</inf>-CO<inf>2</inf> Hydrate System
dc.type Article
dc.relation.ispartofseries-issue 33
dc.relation.ispartofseries-volume 121
dc.collection Публикации сотрудников КФУ
dc.relation.startpage 17603
dc.source.id SCOPUS19327447-2017-121-33-SID85028064480


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  • Публикации сотрудников КФУ Scopus [24551]
    Коллекция содержит публикации сотрудников Казанского федерального (до 2010 года Казанского государственного) университета, проиндексированные в БД Scopus, начиная с 1970г.

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