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Chemicals, plastics and rubber industries

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Simulating Van der Waals interactions in water/hydrocarbon-based complex fluids

Article Abstract:

Van der Waals interactions are dominated by the nonretarded, classical part of the Lifshitz interaction in the systems composed of water and hydrocarbons and they are screened by salt and are extended over mesoscopic distances of the order of the size of the constituents of complex fluids. The interactions are included in the local Monte Carlo algorithm for simulating electrostatic interactions between charges in the presence of nonhomogeneous dielectric media.

Author: Pasichnyk, I., Everaers, R., Maggs, A.C.
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2008
Water, Monte Carlo method, Monte Carlo methods, Properties

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Fluid density profile transitions and symmetry breaking in a closed nanoslit

Article Abstract:

The density profiles in a fluid interacting with the two identical solid walls of a closed long slit are calculated for wide ranges of the number of fluid molecules in the slit and temperature by using density functional theory in the local density approximation. It is found that the density profile corresponding to the stable state of the fluid considerably changes its shape with increasing average density ([rho].sub.av) of the fluid inside the slit.

Author: Ruckenstein, Eli, Berim, Gersh O.
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2007

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Effect of fluid-solid interactions on symmetry breaking in closed nanoslits

Article Abstract:

The dependence of the symmetry breaking in closed nanoslits on the fluid-solid interactions is studied. The energy parameter for the systems is found to be completely temperature-dependent.

Author: Ruckenstein, Eli, Berim, Gersh O.
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2007
Nanotechnology, Solid-liquid equilibrium

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Subjects list: Research, Analysis, Liquids, Fluid density, Van der Waals forces, Density functionals, Density functional theory
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