Structure identification of binary (cyclic alcohol guests plus methane) clathrate hydrates using Rietveld analysis with the direct space method

초록

Herein, the alcohol inclusion and interactions occurring in binary (cyclobutanol + CH4), (cyclopentanol + CH4), and (cyclohexanol + CH4) clathrate hydrates were investigated using Rietveld analysis with the direct space method. The alcohol geometry in the hydrate cages of the binary-hydrates was examined using 13C solid-state nuclear magnetic resonance spectroscopy and density function theory calculations. Structural characterization of the binary-hydrates indicated that OH groups of the alcohols may interact with the host-framework via hydrogenbonding. Additionally, the possibility of OH group incorporation of cyclic alcohols into the host framework should be conducted in the future.

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