Molecular Dynamics Simulations of Type-sII Hydrogen Clathrate Hydrate Close to Equilibrium Conditions

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dc.contributor.authorFrankcombe, Terry
dc.contributor.authorKroes, G
dc.date.accessioned2015-12-07T22:49:00Z
dc.date.issued2007
dc.date.updated2015-12-07T12:04:25Z
dc.description.abstractMolecular 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
dc.identifier.issn1932-7447
dc.identifier.urihttp://hdl.handle.net/1885/26567
dc.publisherAmerican Chemical Society
dc.sourceJournal of Physical Chemistry C
dc.subjectKeywords: Computer simulation; Molecular dynamics; Molecular modeling; Phase equilibria; Phase stability; Clathrates; Molecular dynamics simulations; Molecular hydrogen mobility; Hydrates
dc.titleMolecular Dynamics Simulations of Type-sII Hydrogen Clathrate Hydrate Close to Equilibrium Conditions
dc.typeJournal article
local.bibliographicCitation.issue35
local.bibliographicCitation.lastpage13052
local.bibliographicCitation.startpage13044
local.contributor.affiliationFrankcombe, Terry, College of Physical and Mathematical Sciences, ANU
local.contributor.affiliationKroes, G, Leiden University
local.contributor.authoruidFrankcombe, Terry, u3603293
local.description.embargo2037-12-31
local.description.notesImported from ARIES
local.identifier.absfor030600 - PHYSICAL CHEMISTRY (INCL. STRUCTURAL)
local.identifier.ariespublicationu4692404xPUB45
local.identifier.citationvolume111
local.identifier.doi10.1021/jp071006e
local.identifier.scopusID2-s2.0-34648822954
local.type.statusPublished Version

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