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In relation to this article, we declare that there is no conflict of interest.
Publication history
Received August 22, 2023
Accepted September 18, 2023
articles This is an Open-Access article distributed under the terms of the Creative Commons Attribution Non-Commercial License (http://creativecommons.org/licenses/bync/3.0) which permits unrestricted non-commercial use, distribution, and reproduction in any medium, provided the original work is properly cited.
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Rietveld Analysis of Binary (2,5-Dihydrofuran + Methane) and (2,3-Dihydrofuran + Methane) Clathrate Hydrates

Department of Integrated Energy and Infra System , Kangwon National University 1Department of Energy and Resources Engineering , Kangwon National University
minjun.cha@kangwon.ac.kr
Korean Journal of Chemical Engineering, March 2024, 41(3), 869-877(9), https://doi.org/10.1007/s11814-024-00116-2

Abstract

Herein, we examined the crystal structure of 2,5-dihydrofuran and 2,3-dihydrofuran clathrate hydrate systems in the presence

of methane as help gas. The crystal structure of these systems demonstrates the structure II (sII) clathrate hydrate with

the cubic Fd-3m space group. Throughout the inclusion of methane, we observed a decrease in lattice parameters for both

2,5-dihydrofuran and 2,3-dihydrofuran clathrate hydrates. In the (2,5-dihydrofuran + H 2 O) or (2,3-dihydrofuran + H 2 O)

clathrate hydrates, the 2,5-dihydrofuran or 2,3-dihydrofuran molecule is located at the center of the large cages of sII hydrate.

However, in the (2,5-dihydrofuran + CH 4 ) or (2,3-dihydrofuran + CH 4 ) binary clathrate hydrates, the 2,5-dihydrofuran or

2,3-dihydrofuran molecule is positioned off -center in the large cages of sII hydrate. Finally, we confi rmed the possibility

increase of host–guest interaction via possible host–guest hydrogen bonding due to the decrease of the shortest distance

between host and guest molecules.

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