An intermolecular vibration model for lattice ice

Kuo Ting Wang, M. Quinn Brewster

Research output: Contribution to journalArticle

Abstract

Lattice ice with tetrahedral arrangement is studied using a modified Einstein's model that incorporates the hindered translational and rotational vibration bands into a harmonic oscillation system. The fundamental frequencies for hindered translational and rotational vibrations are assigned based on the intermolecular vibration bands as well as thermodynamic properties from existing experimental data. Analytical forms for thermodynamic properties are available for the modified model, with three hindered translational bands at (65, 229, 229) cm-1 and three effective hindered rotational bands at 560 cm-1. The derived results are good for temperatures higher than 30 K. To improve the model below 30 K, Lorentzian broadening correction is added. This simple model helps unveil the physical picture of ice lattice vibration behavior.

Original languageEnglish (US)
Pages (from-to)51-57
Number of pages7
JournalInternational Journal of Thermodynamics
Volume13
Issue number2
StatePublished - Jun 1 2010

Keywords

  • Entropy
  • Heat capacity
  • Hindered rotation
  • Hindered translation
  • Ice
  • Intermolecular vibration

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Engineering(all)

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