Comparison of the Properties of Xenon, Methane, and Carbon Dioxide Hydrates from Equilibrium and Nonequilibrium Molecular Dynamics Simulations

Molecular dynamics simulations are used to characterize the hydrates of Xe, methane, and CO2, allowing for a systematic comparison of the structural and dynamical properties for these three hydrates. Although the host−guest interaction energy for the T = 0 K structures is most attractive in the case...

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Veröffentlicht in:	JOURNAL OF PHYSICAL CHEMISTRY C 2010-04, Vol.114 (12), p.5555-5564
Hauptverfasser:	Jiang, H, Jordan, K. D
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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