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Molecular dynamics study of structure H clathrate hydrates of methane and large guest molecules

✍ Scribed by Susilo, Robin; Alavi, Saman; Ripmeester, John A.; Englezos, Peter


Book ID
118008771
Publisher
American Institute of Physics
Year
2008
Tongue
English
Weight
926 KB
Volume
128
Category
Article
ISSN
0021-9606

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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