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Rietveld Analysis of Binary (2,5-Dihydrofuran + Methane) and (2,3-Dihydrofuran + Methane) Clathrate Hydrates

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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 + H2O) or (2,3-dihydrofuran + H2O) 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 + CH4) or (2,3-dihydrofuran + CH4) 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 confirmed 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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Acknowledgements

This study was supported by the National Research Foundation of Korea (NRF) grants (NRF-2021R1F1A1049420) funded by the Korea government (MSIT; Ministry of Science and ICT). This study was also supported by the Korea Institute of Energy Technology Evaluation and Planning (KETEP) and the Ministry of Trade, Industry & Energy (MOTIE) of the Republic of Korea (No. 20224000000080). Nuclear magnetic resonance (NMR) experiments are performed at Bruker AVANCE II + 400 MHz NMR system in KBSI Seoul Western Center. Powder X–Ray diffraction (PXRD) patterns are collected from the beamline (2D) at Pohang Accelerator Laboratory.

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Author notes

  1. Dong Hyun Kim and Ki Hun Park contributed equally to this work.

Authors and Affiliations

  1. Department of Integrated Energy and Infra System, Kangwon National University, 1 Kangwondaehak-gil, Chuncheon-si, 24341, Gangwon-do, Republic of Korea

    Dong Hyun Kim, Ki Hun Park & Minjun Cha

  2. Department of Energy and Resources Engineering, Kangwon National University, 1 Kangwondaehak-gil, Chuncheon-si, 24341, Gangwon-do, Republic of Korea

    Minjun Cha

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  1. Dong Hyun Kim
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Correspondence to Minjun Cha.

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Kim, D.H., Park, K.H. & Cha, M. Rietveld Analysis of Binary (2,5-Dihydrofuran + Methane) and (2,3-Dihydrofuran + Methane) Clathrate Hydrates. Korean J. Chem. Eng. 41, 869–877 (2024). https://doi.org/10.1007/s11814-024-00116-2

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