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

Hideki Tanaka

    Research output: Contribution to journalConference articlepeer-review

    23 Citations (Scopus)

    Abstract

    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
    Volume90
    Issue number1-3
    DOIs
    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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