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Prog. Theor. Phys. Vol. 41 No. 4 (1969) pp. 859-879

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Theory of Phase Transitions in Solid Methanes. IV

— Upper Transition Temperatures in Solid CH3D and CHD3 and Solid Solution of CH4 and CD4 —

Hideo Yasuda, Tsunenobu Yamamoto and Yosuke Kataoka

Department of Chemistry, Faculty of Science, Kyoto University, Kyoto

(Received November 26, 1968)

Abstract:

We have made a systematic study of the upper transitions in the solid solution of CH4 and CD4 and in the solid states of pure CH3D and CHD3, on the basis of the quantum statistical mechanics of the James-Keenan model. The calculations were carried out including J up to 9 in the case of CH4-CD4 solid solution and up to 8 in the cases of CH3D and CHD3, J being the rotational quantum number. Normal and equilibrium mixtures of nuclear spin species as well as each pure species were treated. It was found that the upper transition of either CH3D or CHD3 almost coincides with that of solid solution of CH4 and CD4 with the same mean molecular weight, in agreement with experiment.


URL : http://ptp.ipap.jp/link?PTP/41/859/
DOI : 10.1143/PTP.41.859

[ Full Text PDF : FREE ACCESS (1127K) ] Citation:

References:

  1. T. Yamamoto, J. Chem. Phys. 48 (1968), 3193[CrossRef].
  2. T. Yamamoto and Y. Kataoka, J. Chem. Phys. 48 (1968), 3199[CrossRef].
  3. T. Yamamoto and Y. Kataoka, Phys. Rev. Lett. 20 (1968), 1[APS]; Prog. Theor. Phys. Suppl. Extra Number (1968), 426[PTP].
  4. H. M. James and T. A. Keenan, J. Chem. Phys. 31 (1959), 12[CrossRef].
  5. References to the experimental studies are given in II.
  6. E. Bartholomé, G. Drikos and A. Eucken, Z. phys. Chem. B 39 (1938), 371.
  7. G. Herzberg, Molecular Spectra and Molecular Structure II. Infrared and Raman Spectra of Polyatomic Molecules (D. Van Nostrand Co. Inc., New York, 1945), p. 437.
  8. A. Kruis, L. Popp and K. Clusius, Z. Elektrochem. 43 (1937), 664.
  9. J. H. Colwell, E. K. Gill and J. A. Morrison, J. Chem. Phys. 39 (1963), 635[CrossRef]; ibid. 42 (1965), 3144[CrossRef].
  10. See, e. g. E. P. Wigner, Group Theory and its Application to the Quantum Mechanics of Atomic Spectra, translated by J. J. Griffin (Academic Press, Inc., New York, 1959), p. 111.
  11. H. A. Jahn, Proc. Roy. Soc. A 168 (1938), 469.
  12. M. J. Freiser, thesis, Purdue University, 1956.

Citing Article(s) :

  1. Progress of Theoretical Physics Vol. 43 No. 5 (1970) pp. 1121-1131 :
    Theory of Phase Transitions in Solid Methanes. V
    Ken'ichi Nishiyama, Yosuke Kataoka and Tsunenobu Yamamoto
  2. Progress of Theoretical Physics Vol. 43 No. 5 (1970) pp. 1132-1147 :
    Theory of Phase Transition in Solid Methanes. VI
    Yosuke Kataoka
  3. Progress of Theoretical Physics Vol. 45 No. 5 (1971) pp. 1361-1375 :
    Theory of Phase Transitions in Solid Methanes. VII
    Hideo Yasuda

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