Stability of van der Waals compounds and investigation of the intermolecular potential in helium-xenon mixtures

Jean Louis Barrat; Willem L. Vos

doi:10.1063/1.463779

Stability of van der Waals compounds and investigation of the intermolecular potential in helium-xenon mixtures

Jean Louis Barrat^*, Willem L. Vos

^*Corresponding author for this work

Research output: Contribution to journal › Article › Academic › peer-review

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Abstract

The stability of the stoichiometric solid structures Xe(He)₂ and Xe(He)₁₃ is investigated up to 30 GPa pressure at room temperature, T=300 K. The Gibbs free energy of these so-called van der Waals compounds is computed using simple semianalytical methods that are in good agreement with molecular dynamics computer simulations. The interatomic interactions are described by empirical pair potentials adjusted to fit high pressure experimental data. The Xe(He)₂ phase is found to be stable with respect to phase separation into pure components, while Xe(He)₁₃ is unstable. These results agree with simple packing considerations, but are rather sensitive to the precise form of the helium-xenon interaction. A brief comment is made about the occurrence of a Ne(He)₂ compound, that was recently found by Jean-Louis, Loubeyre, and Charon-Gerard.

Original language	English
Pages (from-to)	5707-5712
Number of pages	6
Journal	The Journal of chemical physics
Volume	97
Issue number	8
DOIs	https://doi.org/10.1063/1.463779
Publication status	Published - 1 Jan 1992
Externally published	Yes

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title = "Stability of van der Waals compounds and investigation of the intermolecular potential in helium-xenon mixtures",

abstract = "The stability of the stoichiometric solid structures Xe(He)2 and Xe(He)13 is investigated up to 30 GPa pressure at room temperature, T=300 K. The Gibbs free energy of these so-called van der Waals compounds is computed using simple semianalytical methods that are in good agreement with molecular dynamics computer simulations. The interatomic interactions are described by empirical pair potentials adjusted to fit high pressure experimental data. The Xe(He)2 phase is found to be stable with respect to phase separation into pure components, while Xe(He)13 is unstable. These results agree with simple packing considerations, but are rather sensitive to the precise form of the helium-xenon interaction. A brief comment is made about the occurrence of a Ne(He)2 compound, that was recently found by Jean-Louis, Loubeyre, and Charon-Gerard.",

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AU - Barrat, Jean Louis

AU - Vos, Willem L.

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N2 - The stability of the stoichiometric solid structures Xe(He)2 and Xe(He)13 is investigated up to 30 GPa pressure at room temperature, T=300 K. The Gibbs free energy of these so-called van der Waals compounds is computed using simple semianalytical methods that are in good agreement with molecular dynamics computer simulations. The interatomic interactions are described by empirical pair potentials adjusted to fit high pressure experimental data. The Xe(He)2 phase is found to be stable with respect to phase separation into pure components, while Xe(He)13 is unstable. These results agree with simple packing considerations, but are rather sensitive to the precise form of the helium-xenon interaction. A brief comment is made about the occurrence of a Ne(He)2 compound, that was recently found by Jean-Louis, Loubeyre, and Charon-Gerard.

AB - The stability of the stoichiometric solid structures Xe(He)2 and Xe(He)13 is investigated up to 30 GPa pressure at room temperature, T=300 K. The Gibbs free energy of these so-called van der Waals compounds is computed using simple semianalytical methods that are in good agreement with molecular dynamics computer simulations. The interatomic interactions are described by empirical pair potentials adjusted to fit high pressure experimental data. The Xe(He)2 phase is found to be stable with respect to phase separation into pure components, while Xe(He)13 is unstable. These results agree with simple packing considerations, but are rather sensitive to the precise form of the helium-xenon interaction. A brief comment is made about the occurrence of a Ne(He)2 compound, that was recently found by Jean-Louis, Loubeyre, and Charon-Gerard.

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Stability of van der Waals compounds and investigation of the intermolecular potential in helium-xenon mixtures

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