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Molecular Dynamics Study of the Structure and Thermophysical Properties of Model sI Clathrate Hydrates

✍ Scribed by Chialvo, A. A.; Houssa, Mohammed; Cummings, P. T.

Book ID
120938751
Publisher
American Chemical Society
Year
2002
Tongue
English
Weight
191 KB
Volume
106
Category
Article
ISSN
0022-3654

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## Abstract Equilibrium molecular dynamics (MD) simulations have been performed in both the NVT and NPT ensembles to study the structural and dynamical properties of fully occupied methane clathrate hydrates at 50, 125, and 200 K. Five atomistic potential models were used for water, ranging from fu