Chapter 13 Stability and dynamics of ice and clathrate hydrate

Research output: Chapter in Book/Report/Conference proceedingChapter

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Abstract

Thermodynamic stability and dynamics via normal mode analysis of ices and clathrate hydrates have been investigated. The free energy of those solids is calculated from various components separately; the interaction energy at temperature 0 K, the vibrational free energy, and the configurational entropy arising from disordering of protons and cage occupation. This enables us to evaluate the thermodynamic stability of clathrate hydrates from only intermolecular interactions. It is also shown that this method is available to predict relative stability of ice polymorphs and their anomalous properties at low temperature.

Original languageEnglish
Title of host publicationTheoretical and Computational Chemistry
PublisherElsevier
Pages533-578
Number of pages46
EditionC
DOIs
Publication statusPublished - Jan 1 1999

Publication series

NameTheoretical and Computational Chemistry
NumberC
Volume7
ISSN (Print)1380-7323

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

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  • Cite this

    Tanaka, H. (1999). Chapter 13 Stability and dynamics of ice and clathrate hydrate. In Theoretical and Computational Chemistry (C ed., pp. 533-578). (Theoretical and Computational Chemistry; Vol. 7, No. C). Elsevier. https://doi.org/10.1016/S1380-7323(99)80046-6