title: Selective occupancy of methane by cage symmetry in TBAB ionic clathrate hydrate.
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.
authors.affiliation: 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.
authors.forename: Sanehiro
authors.initials: S
authors.lastname: Muromachi
authors.affiliation: National Research Council of Canada, 100 Sussex Drive, Ottawa, ON K1A 0R6, Canada.
authors.forename: Konstantin A
authors.initials: KA
authors.lastname: Udachin
authors.affiliation: National Research Council of Canada, 100 Sussex Drive, Ottawa, ON K1A 0R6, Canada.
authors.forename: Saman
authors.initials: S
authors.lastname: Alavi
authors.affiliation: Department of Mechanical Engineering, Keio University, Yokohama 223-8522, Japan.
authors.forename: Ryo
authors.initials: R
authors.lastname: Ohmura
authors.affiliation: National Research Council of Canada, 100 Sussex Drive, Ottawa, ON K1A 0R6, Canada.
authors.forename: John A
authors.initials: JA
authors.lastname: Ripmeester