Thermodynamic stability of hexagonal and cubic ices

Hideki Tanaka, Ichiro Okabe

Research output: Contribution to journalArticle

21 Citations (Scopus)

Abstract

The thermodynamic stability of hexagonal and cubic ices are examined by evaluating the free energies of those two phases over a wide range of temperature. One hundred proton-disordered configurations are generated for each form of ice, and a lattice dynamics calculation is applied. It is shown that the free energy of hexagonal ice is about 100 J mol-1 lower than that of cubic ice, and therefore more stable in the calculated temperature range (53-273 K). This is in agreement with experiment.

Original languageEnglish
Pages (from-to)593-598
Number of pages6
JournalChemical Physics Letters
Volume259
Issue number5-6
DOIs
Publication statusPublished - Sep 13 1996
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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