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- W2316217868 abstract "Clathrates hydrates are nanoporous crystalline materials made of water cages encapsulating guest molecules. By inserting H2 molecules with the help of a promoter (tetrahydrofuran, noted THF), systems relevant for hydrogen storage application are formed by using relatively soft pressure (of the order of 100 bar) near room temperature. Dynamic properties of hydrogen molecules confined in the small cages of the deuterated THF clathrate hydrate have been investigated at equilibrium by means of incoherent quasi-elastic neutron scattering (QENS). These QENS investigations provide direct experimental evidence about the fundamental aspect of translational diffusive motions of the hydrogen molecules. A comprehensive study of the hydrogen molecules dynamics above 100 K has been achieved through a quantitative analysis of the structure factors (i.e., the spatial extend of the H2 diffusive motion) as well as of the QENS broadening (i.e., the characteristic time of the diffusive motion). On the probed time scale, the H2 molecular translations occur within localized spherical area in the cage with low activation energy of 1.59 ± 0.06 kJ mol–1. The dynamical diameter of H2 molecules varies from 2.08 Å at 250 K to 1.64 Å at 100 K, and the diffusion constant ranges from 0.16 ± 0.03 rad ps–1 at 100 K to 0.49 ± 0.03 rad ps–1 at 250 K. These results indicate that no diffusion between the cages is observed in the picosecond time scale." @default.
- W2316217868 created "2016-06-24" @default.
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- W2316217868 date "2012-08-06" @default.
- W2316217868 modified "2023-09-27" @default.
- W2316217868 title "Diffusive Motions of Molecular Hydrogen Confined in THF Clathrate Hydrate" @default.
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- W2316217868 doi "https://doi.org/10.1021/jp3008656" @default.
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