Water-hydrocarbon interfaces: Effect of hydrocarbon branching on interfacial structure
Article Abstract:
Molecular dynamics simulations are performed for two series of hydrocarbons to gain insight into the effect of hydrocarbon branching on interfacial structure. Intrinsic density profiles for water and hydrocarbons with respect to the hydrocarbon and water surfaces found to, respectively, resemble density profiles of liquids in the presence of wall and the O-H bond for surface water is found to have two preferential orientations, pointing toward the hydrocarbon phase and parallel to interface.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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Molecular dynamics investigation of the transient regime in the freezing of slat clusters
Article Abstract:
Various molecular dynamics (MD) investigations of the freezing of supercooled liquids and salt clusters are presented by providing a detailed observation of the transient regime and the nucleation of the substance. The results prove that in spite of the differences in the various interionic interactions initiating nucleation and the van der Waal forces in the salt clusters, the transient regimes of the two systems have a lot in common and exhibit several similar properties.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2007
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