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

Chem Commun (Camb). 2016 Apr 25;52(32):5621-4. doi: 10.1039/c6cc00264a.

Authors

Sanehiro Muromachi¹, Konstantin A Udachin², Saman Alavi², Ryo Ohmura³, John A Ripmeester²

Affiliations

¹ Research Institute of Energy Frontier, National Institute of Advanced Industrial Science and Technology (AIST), 16-1 Onogawa, Tsukuba, 305-8569, Japan. s-muromachi@aist.go.jp.
² National Research Council of Canada, 100 Sussex Drive, Ottawa, ON K1A 0R6, Canada.
³ Department of Mechanical Engineering, Keio University, Yokohama 223-8522, Japan.

PMID: 27030139
DOI: 10.1039/c6cc00264a

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.

Publication types

Research Support, Non-U.S. Gov't