Homogeneous freezing of water starts in the subsurface

Article Abstract:

A study reports the first molecular dynamics (MD) simulations of homogeneous freezing in aqueous slabs of varying sizes, where both bulk and surface ice nucleation can occur. Results show that homogeneous ice nucleation preferentially starts in the subsurface and that the subsurface accommodates better than the bulk the increase of volume connected with freezing, shedding new light on the experimental controversy concerning the bulk versus surface origin of homogeneous ice nucleation in water droplets.

Analysis, Nucleation, Nucleation (Chemistry), Properties, Freezing points, Freezing

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Salt crystalline from an evaporating aqueous solution by molecular dynamics simulations

Article Abstract:

Some results from molecular dynamics simulations of evaporating aqueous NaCl solutions with realistic interactions potentials are presented. The simulations provide unique information about the mechanism and dynamics of nucleation and crystal growth from an evaporating solution.

Aqueous solution reactions, Sodium chloride, Evaporation

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Enhanced concentration of polarizable anions at the liquid water surface: SHG spectroscopy and MD simulations of sodium thiocyanide

Article Abstract:

The liquid/air interface of aqueous sodium thiocyanide at varying salt concentrations is examined. The results are in accord with molecular dynamics simulations in slab geometry, which predict an appreciable surface enhancement of SCN(super -).

All Other Basic Inorganic Chemical Manufacturing, Potassium & Sodium Compounds, Sodium & Sodium Compounds, Spectra, Sodium compounds, Anions

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