Hydrogen bonds between water molecules: Thermal expansivity of ice and water

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22 Citations (Scopus)


The free energy components of two low pressure crystalline ices and an amorphous form of water are calculated over a wide range of temperatures. The Gibbs free energy at a given temperature is minimized with respect to volume of a system. This enables us to evaluate a thermal expansivity at fixed temperature and pressure from only intermolecular interaction potential. The negative thermal expansivity at low temperature is obtained for both crystalline ices and an amorphous form, which arises from the bending motion of hydrogen bonded molecules.

Original languageEnglish
Pages (from-to)323-332
Number of pages10
JournalJournal of Molecular Liquids
Issue number1-3
Publication statusPublished - Feb 2001
Event26th International Conference on Solution Chemistry (26 ICSC) - Fukuoka, Japan
Duration: Jul 26 1999Jul 31 1999

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Spectroscopy
  • Physical and Theoretical Chemistry
  • Materials Chemistry


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