Mean-Field Theory of the Orientational Ordering of Dipolar Guest Molecules in β-Hydroquinone Clathrate of SO2 and D2S

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  • Imasaka Tomoko
    Laboratory of Chemistry, Department of Environmental Design, Kyushu Institute of Design, 4-9-1 Shiobaru, Minami-ku, Fukuoka 815-8540
  • Hirokawa Shoji
    Laboratory of Chemistry, Department of Environmental Design, Kyushu Institute of Design, 4-9-1 Shiobaru, Minami-ku, Fukuoka 815-8540

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タイトル別名
  • Mean-Field Theory of the Orientational Ordering of Dipolar Guest Molecules in .BETA.-Hydroquinone Clathrate of SO2 and D2S.
  • Mean Field Theory of the Orientational Ordering of Dipolar Guest Molecules in ベータ Hydroquinone Clathrate of SO2 and D2S
  • Mean-Field Theory of the Orientational Ordering of Dipolar Guest Molecules in β-Hydroquinone Clathrate of SO<sub>2</sub>and D<sub>2</sub>S

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A clathrate consists of both a `host' system and a `guest' system composed of the enclosed molecules. Treating the guest system as a diluted dipolar one, we have investigated the effects on orientational phase transitions of the cavity occupancy x, a crystal field W due to host molecules, the difference between atom-atom potentials and the ignorance of those contributions by the host system which are not involved in W. It is shown that self-consistency makes the transition temperature Tc a nonlinear function of x. The occurrence of a successive phase transition is shown to depend on the higher order terms of W and on the difference in the potential model. It is also clarified that the host system may affect the estimation of Tc. We have further investigated to what extent classical statistical mechanics is applicable at low temperatures. Results are discussed in relation to the experiments.

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