Selective occupancy of methane by cage symmetry in TBAB ionic clathrate hydrate

Sanehiro Muromachi; Konstantin A. Udachin; Saman Alavi; Ryo Ohmura; John A. Ripmeester

doi:10.1039/c6cc00264a

Selective occupancy of methane by cage symmetry in TBAB ionic clathrate hydrate

Sanehiro Muromachi, Konstantin A. Udachin, Saman Alavi, Ryo Ohmura, John A. Ripmeester

Department of Mechanical Engineering

Research output: Contribution to journal › Article › peer-review

27 Citations (Scopus)

Abstract

Methane trapped in the two distinct dodecahedral cages of the ionic clathrate hydrate of TBAB was studied by single crystal XRD and MD simulation. The relative CH₄ occupancies over the cage types were opposite to those of CO₂, which illustrates the interplay between the cage symmetry and guest shape and dynamics, and thus the gas selectivity.

Original language	English
Pages (from-to)	5621-5624
Number of pages	4
Journal	Chemical Communications
Volume	52
Issue number	32
DOIs	https://doi.org/10.1039/c6cc00264a
Publication status	Published - 2016 Apr 25

ASJC Scopus subject areas

Catalysis
Electronic, Optical and Magnetic Materials
Ceramics and Composites
Chemistry(all)
Surfaces, Coatings and Films
Metals and Alloys
Materials Chemistry

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abstract = "Methane trapped in the two distinct dodecahedral cages of the ionic clathrate hydrate of TBAB was studied by single crystal XRD and MD simulation. The relative CH4 occupancies over the cage types were opposite to those of CO2, which illustrates the interplay between the cage symmetry and guest shape and dynamics, and thus the gas selectivity.",

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AU - Muromachi, Sanehiro

AU - Udachin, Konstantin A.

AU - Alavi, Saman

AU - Ohmura, Ryo

AU - Ripmeester, John A.

N1 - Funding Information: This study was subsidized in part by the Keio University Global Center of Excellence Program. SM thanks for the support provided by the Japan Society for the Promotion of Science (JSPS) (grant no. 23-56572). Publisher Copyright: © The Royal Society of Chemistry 2016. Copyright: Copyright 2020 Elsevier B.V., All rights reserved.

PY - 2016/4/25

Y1 - 2016/4/25

N2 - Methane trapped in the two distinct dodecahedral cages of the ionic clathrate hydrate of TBAB was studied by single crystal XRD and MD simulation. The relative CH4 occupancies over the cage types were opposite to those of CO2, which illustrates the interplay between the cage symmetry and guest shape and dynamics, and thus the gas selectivity.

AB - Methane trapped in the two distinct dodecahedral cages of the ionic clathrate hydrate of TBAB was studied by single crystal XRD and MD simulation. The relative CH4 occupancies over the cage types were opposite to those of CO2, which illustrates the interplay between the cage symmetry and guest shape and dynamics, and thus the gas selectivity.

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Selective occupancy of methane by cage symmetry in TBAB ionic clathrate hydrate

Abstract

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