4.6 Article

Spectroscopic identifications of structure II hydrate with new large alcohol guest molecule (Cyclopentanemethanol)

Journal

CHEMICAL PHYSICS LETTERS
Volume 779, Issue -, Pages -

Publisher

ELSEVIER
DOI: 10.1016/j.cplett.2021.138869

Keywords

Clathrate hydrate; Cyclopentanemethanol; Guest inclusion; Hydrogen bonding; Guest interaction

Funding

  1. National Research Foundation of Korea (NRF) - Korea government (MSIT
  2. Ministry of Science and ICT) [NRF 2019R1F1A1058167, NRF 2021R1F1A1049420]

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The study revealed the formation of structure II hydrate in the binary (cyclopentanemethanol + CH4) hydrate, with the inclusion of cyclopentanemethanol and CH4. Rietveld analysis confirmed the formation of a cubic Fd3m hydrate and possible host-guest interactions. The thermodynamic stability of the binary (cyclopentanemethanol + CH4) hydrate was found to be higher compared to pure methane hydrate.
Herein the guest inclusions and interactions in a binary (cyclopentanemethanol + CH4) hydrate were explored via 13C NMR spectroscopy and XRD analysis. The 13C NMR spectra of the binary (cyclopentanemethanol + CH4) hydrate confirmed the formation of structure II hydrate with the inclusion of cyclopentanemethanol and CH4 in the structure II hydrate cages. Rietveld analysis on XRD profiles of the binary (cyclopentanemethanol + CH4) hydrate confirmed the formation of a cubic Fd3m hydrate and the possible host-guest interactions. Finally, the thermodynamic stability of the binary (cyclopentanemethanol + CH4) hydrate was relatively stable than that of the pure methane hydrate.

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