Molecular simulation of disjoining-pressure isotherms for free aqueous thin films

Article Abstract:

Canonical-ensemble molecular-dynamics (MD) simulations of disjoining-pressure isotherms for symmetric, free aqueous thin films are presented. Disjoining-pressure isotherms for water are about 2 orders of magnitude larger for films between about 1 to 2 nm thickness which is assumed to be due to the fact that the standard theory assumes that fluid properties are homogeneous directly up to the interface and neglects any fluid structure.

Industrial Gas Manufacturing, Industrial gases, Noble Gases, Spectra, Gases, Rare

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Molecular dynamics simulations of surface tensions of aqueous electrolytic solutions

Article Abstract:

Molecular-dynamics (MD) simulations of surface tension of aqueous ionic solutions of different concentrations for two different salts with different anion size: NaCI and NaF at 300 k in explicit water molecules were presented. MD results in particular, predicted that the salt with a larger anion (NaCI) showed a smaller increase in surface tension than the salt with a smaller anion (NaF).

Chemistry, Physical and theoretical, Physical chemistry, Ionic solutions, Surface tension

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Monte Carlo simulations of disjoining-pressure isotherms for Lennard-Jones surfactant-stabilized free thin films

Article Abstract:

Monte Carlo simulations of disjoining-pressure isotherms for soluble-surfactant-stabilized free thin films are presented. A disjoining-pressure isotherm is defined such that films of all thicknesses on that isotherm are in equilibrium with the same infinite reservoir of surfactant and solvent.

Semiconductors and related devices, Semiconductor and Related Device Manufacturing, Thin Film Materials, Surface active agents, Surface Active Agent Manufacturing, Observations, Thin films, Dielectric films, Thermal properties, Atmospheric temperature

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