Mean-field theory of the orientational ordering of dipolar guest molecules in β-hydroquinone clathrate of SO2 and D2S

Tomoko Imasaka, Shoji Hirokawa

Research output: Contribution to journalArticle

Abstract

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 cursive Greek chi. 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 cursive Greek chi. 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.

Original languageEnglish
Pages (from-to)2603-2612
Number of pages10
Journaljournal of the physical society of japan
Volume70
Issue number9
DOIs
Publication statusPublished - Sep 1 2001

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clathrates
statistical mechanics
crystal field theory
atoms
molecules
transition temperature
occurrences
cavities

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

Cite this

Mean-field theory of the orientational ordering of dipolar guest molecules in β-hydroquinone clathrate of SO2 and D2S. / Imasaka, Tomoko; Hirokawa, Shoji.

In: journal of the physical society of japan, Vol. 70, No. 9, 01.09.2001, p. 2603-2612.

Research output: Contribution to journalArticle

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