Molecular dynamics simulations of water at NaCl(001) and NaCl(011) surfaces

Article Abstract:

A study was conducted to analyze the properties of water molecules near the (001) and (011) faces of NaCl crystals at 298 K by classical molecular dynamics simulations. The MDMPOL program was utilized to carry out simulation details. In addition, several models for water-water interaction were considered. Experimental results indicated the stability of NaCl crystals supporting both the (001) and (011) faces with no lattice defects at 298 K.

Water, Crystals, Molecular dynamics, Molecules, Salt, Salt (Food), Water analysis

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A small-angle neutron and static light scattering study of micelles formed in aqueous mixtures of a nonionic alkylglucoside and an anionic surfactant

Article Abstract:

The size and shape of micelles formed in aqueous mixtures of the anionic surfactant sodium dodecyl sulfate (SDS) and the nonionic sugar-based surfactant n-decyl beta-D-glycopyranoside at different concentrations of added salt are investigated. Several thousands of angstroms long wormlike micelles are observed, in the excess of nonionic surfactant.

All Other Basic Organic Chemical Manufacturing, Industrial organic chemicals, not elsewhere classified, Glucosides, Light scattering, Chemical properties

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Revised implicit solvent model for the simulation of surfactants in aqueous solutions

Article Abstract:

The revised implicit solvent model (ISM-2) shows the interactions between the hydrophobic sites of the surfactants and the local hydrocarbon density. The results state that the ISM-2 mimicked the hexane/water interface and represented the fluidity of the hydrocarbon interior of the surfactant micelle, which the original ISM failed to do.

Aqueous solution reactions, Hydrophobic effect

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