Chapter 13 Stability and dynamics of ice and clathrate hydrate

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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
Pages (from-to)533-578
Number of pages46
JournalTheoretical and Computational Chemistry
Volume7
Issue numberC
DOIs
Publication statusPublished - 1999

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clathrates
Ice
Hydrates
hydrates
Free energy
ice
Thermodynamic stability
Polymorphism
free energy
Protons
thermodynamics
Entropy
occupation
Temperature
interactions
entropy
protons
temperature
energy

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

Chapter 13 Stability and dynamics of ice and clathrate hydrate. / Tanaka, Hideki.

In: Theoretical and Computational Chemistry, Vol. 7, No. C, 1999, p. 533-578.

Research output: Contribution to journalArticle

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