Rotational phase transitions in molecular solids

Phase diagrams to 6 kbar have been obtained for solid cyclopropane, cyclohexane, and ethane. A new solid phase has been found in ethane. The results are discussed in terms of the Pople-Karasz theory for rotational phase transitions and fusion of molecular solids. In an effort to bring the theory int...

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Bibliographic Details
Published in:The Journal of physics and chemistry of solids 1971, Vol.32 (12), p.2663-2672
Main Authors: Webster, D.S., Hoch, M.J.R.
Format: Article
Language:English
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Summary:Phase diagrams to 6 kbar have been obtained for solid cyclopropane, cyclohexane, and ethane. A new solid phase has been found in ethane. The results are discussed in terms of the Pople-Karasz theory for rotational phase transitions and fusion of molecular solids. In an effort to bring the theory into closer agreement with experiment the theory has been modified by choosing a central (28,7) form for the intermolecular potential instead of the (12, 6) form used by Pople and Karasz. While there is some improvement in the comparison of experimental and theoretical phase diagrams the other thermodynamic predictions of the modified theory are in conflict with observations. The modification to the Pople-Karasz theory recently proposed by Amzel and Becka is also discussed.
ISSN:0022-3697
1879-2553
DOI:10.1016/S0022-3697(71)80357-8