Author： Forrisdahl Ole Kr. Kvamme Bjorn Haymet A. D. J.
Publisher： Taylor & Francis Ltd
ISSN： 1362-3028
Source： Molecular Physics, Vol.89, Iss.3, 1996-10, pp. : 819-834
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Abstract
The melting of structure I methane clathrate hydrate has been investigated using NVT molecular dynamics simulations, for a number of potential energy models for water and methane. The equilibrated hydrate crystal has been heated carefully from 270 K, in steps of 5 K, until a well defined phase instability appears. At a density of 0.92 g cm-8, an upper bound for the mechanical stability of the methane hydrate lattice over a timescale of 11 nanoseconds is 330 K. Finite size effects have been investigated by simulating systems of 1 and 8 units cells of methane hydrate. The properties of the melted system upon cooling are examined.
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