Stability of clathrate hydrates: temperature dependence of dissociation pressure in Xe and Ar hydrate

Hideki Tanaka, Koichiro Nakanishi

Research output: Contribution to journalArticle

14 Citations (Scopus)

Abstract

The thermodynamic stability of clathrate hydrates I and II encaging xenon or argon has been investigated by examining the temperature dependence of the dissociation pressure. The evaluation of the stability is made based on the generalized van der Waals and Platteeuw theory developed by Tanaka and Kiyohara. In the new treatment, the free energy of formation of hydrates in equilibrium with ice is calculated by taking the coupling of the host lattice vibrations with guests into consideration. The predicted dissociation pressures of Xe and Ar hydrates agree well with experiments in higher temperature range. A poor agreement between experiment and calculation for Ar clathrate hydrate at low temperature is improved by the use of a quantum mechanical partition function for a harmonic oscillator in evaluating the free energy difference between ice and empty hydrate.

Original languageEnglish
Pages (from-to)317-327
Number of pages11
JournalMolecular Simulation
Volume12
Issue number3-6
Publication statusPublished - 1994
Externally publishedYes

Fingerprint

clathrates
Temperature Dependence
Hydrates
hydrates
Free Energy
dissociation
temperature dependence
Van Der Waals
Harmonic Oscillator
Partition Function
Experiment
Ice
Thermodynamics
Vibration
Free energy
ice
Temperature
free energy
Evaluation
Xenon

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Stability of clathrate hydrates : temperature dependence of dissociation pressure in Xe and Ar hydrate. / Tanaka, Hideki; Nakanishi, Koichiro.

In: Molecular Simulation, Vol. 12, No. 3-6, 1994, p. 317-327.

Research output: Contribution to journalArticle

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