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Received November 22, 2015
Accepted January 7, 2016
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Structural identification of DClO4 clathrate hydrates: Neutron powder diffraction analysis
School of Applied Chemical Engineering, Major in Applied Chemistry, Kyungpook National University, 80 Daehak-ro, Buk-gu, Daegu 41566, Korea 1Department of Energy and Resources Engineering, Kangwon National University, 1 Kangwondaehak-gil, Chuncheon-si, Gangwon-do 24341, Korea 2Climate Change Research Division, Korea Institute of Energy Research (KIER), Daejeon 34128, Korea 3Department of Chemical and Biomolecular Engineering, Korea Advanced Institute of Science and Technology (KAIST), 291 Daehak-ro, Yuseong-gu, Daejeon 34143, Korea
Korean Journal of Chemical Engineering, May 2016, 33(5), 1728-1735(8), 10.1007/s11814-016-0010-0
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Abstract
Acid clathrate hydrates which do not contain hydrogen fluoride impurities are believed to include several vacancy sites in the host lattice for protonation of the framework. In this work, the crystal structures of a DClO4·5.5D2O solid at various temperatures were identified by the direct space method and Rietveld refinement of the neutron powder diffraction patterns. A position change of vacancy sites accompanying the shift of ClO4- guest ions in the 51262 cavity toward the center of the cavity from the edge of the hexagonal face was observed at about 180 K, and this phenomenon is expected to result in weakened host proton-guest anion interactions and to induce a phase transition related to the proton conduction behavior of the DClO4 clathrate. The present findings explain the proton dynamics of the hydrogen fluoride-free acid clathrate hydrates and provide a better understanding of the nature of guest-host interactions occurring on ion-doped hydrate materials.
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