On the thermodynamic stability and structural transition of clathrate hydrates

Research output: Contribution to journalArticle

18 Citations (Scopus)

Abstract

Gas mixtures of methane and ethane form structure II clathrate hydrates despite the fact that each of pure methane and pure ethane gases forms the structure I hydrate. Optimization of the interaction potential parameters for methane and ethane is attempted so as to reproduce the dissociation pressures of each simple hydrate containing either methane or ethane alone. An account for the structural transitions between type I and type II hydrates upon changing the mole fraction of the gas mixture is given on the basis of the van der Waals and Platteeuw theory with these optimized potentials. Cage occupancies of the two kinds of hydrates are also calculated as functions of the mole fraction at the dissociation pressure and at a fixed pressure well above the dissociation pressure.

Original languageEnglish
Article number074503
JournalThe Journal of Chemical Physics
Volume122
Issue number7
DOIs
Publication statusPublished - 2005

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clathrates
Hydrates
Ethane
hydrates
Methane
Thermodynamic stability
ethane
methane
thermodynamics
dissociation
Gas mixtures
gas mixtures
Gases
optimization
gases
interactions

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

On the thermodynamic stability and structural transition of clathrate hydrates. / Koyama, Yuji; Tanaka, Hideki; Koga, Kenichiro.

In: The Journal of Chemical Physics, Vol. 122, No. 7, 074503, 2005.

Research output: Contribution to journalArticle

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