Tail aggregation and domain diffusion in ionic liquids

Article Abstract:

An extended multiscale coarse-graining (MS-CG) model for ionic liquids is used to investigate the influence of cationic alkyl chain length on the structural and dynamic properties of ionic liquids. The tail domains remain relatively stable with a sufficiently long alkyl chain at a low enough temperature, despite the diffusion of individual ions in the liquid phase, but with increasing temperature, the average tail domains begin to diffuse.

Analysis, Cations, Thermal properties, Ionic solutions, Diffusion, Diffusion (Physics)

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Amphiphilic character of the hydrated proton in methanol-water solutions

Article Abstract:

The hydrated proton was studied in methanol-water solutions of varying methanol concentrations using the multistate empirical valence bond simulation method. Amphiphilic-like behavior of the hydrated proton was noted from its anisotropic association with the methanolmethyl group and the molecular length immiscibility was also characterized through the enumeration of water and protonated water clusters.

Science & research, All Other Basic Organic Chemical Manufacturing, Methanol, Research, Water chemistry

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