Molecular Dynamics Simulations of Type-sII Hydrogen Clathrate Hydrate Close to Equilibrium Conditions
Date
2007
Authors
Frankcombe, Terry
Kroes, G
Journal Title
Journal ISSN
Volume Title
Publisher
American Chemical Society
Abstract
Molecular dynamics simulations of hydrogen-containing type-sll clathrate hydrate slabs have been performed. A range of water-water interaction potentials were tested. Three potentials that yield water ice melting points close to 273 K gave very different
Description
Keywords
Keywords: Computer simulation; Molecular dynamics; Molecular modeling; Phase equilibria; Phase stability; Clathrates; Molecular dynamics simulations; Molecular hydrogen mobility; Hydrates
Citation
Collections
Source
Journal of Physical Chemistry C
Type
Journal article
Book Title
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Restricted until
2037-12-31