Molecular Dynamics Simulation of the Structure I Empty Gas Hydrate

Chin. Phys. Lett.

2002, Vol. 19

Issue (5): 609-612 DOI:

Original Articles

Molecular Dynamics Simulation of the Structure I Empty Gas Hydrate

CHENG Wei;ZHOU Hong-Yu

Key Laboratory in University for Radiation Beam Technology and Materials Modification, Institute of Low Energy Nuclear Physics, Beijing Normal University, Beijing 100875

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CHENG Wei, ZHOU Hong-Yu 2002 Chin. Phys. Lett. 19 609-612

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Abstract The 368 water molecule structure I empty gas hydrates with three possible hydrogen orientations are calculated using TIP4P potential molecular dynamical simulations. The thermodynamic properties and hydrogen bonding are compared with ice Ih. The density of states is analysed based on experimental measurements. The empty gas hydrate at low temperature is stable without gas molecules encaged.

Keywords: 02.70.Ns 28.20.Cz

Published: 01 May 2002

PACS:	02.70.Ns	(Molecular dynamics and particle methods)
	28.20.Cz	(Neutron scattering)

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https://cpl.iphy.ac.cn/ OR https://cpl.iphy.ac.cn/Y2002/V19/I5/0609

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