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Some structural and thermodynamic studies of clathrate hydrates

โœ Scribed by D. W. Davidson; S. K. Garg; S. R. Gough; Y. P. Handa; C. I. Ratcliffe; J. S. Tse; J. A. Ripmeester

Publisher
Springer Netherlands
Year
1984
Tongue
English
Weight
388 KB
Volume
2
Category
Article
ISSN
0923-0750

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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