화학공학소재연구정보센터
홈 로그인 로그아웃 연락처 사이트맵
Korean Journal of Chemical Engineering, Vol.34, No.9, 2514-2518, September, 2017
DOI10.1007/s11814-017-0153-7  Export Citation
Structure identification of binary 1-propanol+methane hydrate using neutron powder diffraction
Minjun Cha, Kyuchul Shin1, †, and Huen Lee2, †
  • Department of Energy and Resources Engineering, Kangwon National University, 1 Kangwondaehak-gil, Chuncheon-si, Gangwon-do 24341, Korea
  • 1School of Applied Chemical Engineering, Major in Applied Chemistry, Kyungpook National University, 80 Daehak-ro, Buk-gu, Daegu 41566, Korea
  • 2Department of Chemical and Biomolecular Engineering, Korea Advanced Institute of Science and Technology (KAIST), 291 Daehak-ro, Yuseong-gu, Daejeon 34141, Korea
E-mail:,
Alcohols are frequently used in hydrate communities as thermodynamic hydrate inhibitors, but some alcohol molecules are also known to be hydrate formers with a help gas. In this study, the crystal structures of binary 1- propanol+methane hydrates at various temperatures were identified using neutron powder diffraction analysis with Rietveld refinement. Characteristic behaviors of the guest molecules in the hydrate structure were also analyzed to verify possible host-guest interactions from the refinement results. The results showed that the thermal factors of host water and guest methane increased continuously as the temperature increased. However, the isotropic thermal factors (B values) of 1-propanol were abnormally high compared to those of methane in the small cages of structure II (sII) hydrates, which could be because the 1-propanol molecules were off-centered in the large cages of sII hydrates. This implies that hydrogen bonding interactions between host and guest molecules can occur in the large cages of sII hydrates. The present findings may lead to a better understanding of the nature of guest-host interactions that occur in alcohol hydrates.
Keywords:Clathrate Hydrate;Neutron Powder Diffraction;1-Propanol;Hydrogen Bonding
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