Liquid-vapor interface of methanol-water mixtures: A molecular dynamics study

Article Abstract:

Molecular dynamics simulations were carried out to investigate the structural and thermodynamical properties and variations in the dipole moments of the liquid-vapor interfaces of methanol-water mixtures. It was found that methanol tends to concentrate at the interface, and the computed surface tension shows a composition that is consistent with experimental measurements.

All Other Basic Organic Chemical Manufacturing, Methanol, Molecular dynamics, Water chemistry, Thermal properties, Structure

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Diffusion at the liquid- vapor interface of an aqueous ionic solution utilizing a dual simulation technique

Article Abstract:

Dual simulation technique with some modification was used to determine the diffusion of water, chloride ions, and sodium ions at the vapor-liquid interface of 2.2M sodium chloride aqueous ionic solution. Results showed that this method gives consistent results, and provides for a well-defined self-confident method to determine diffusion perpendicular to an interface.

Analysis, Observations, Phase transformations (Statistical physics), Phase transitions (Physics), Ionic solutions, Aqueous solution reactions

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