Dynamic diffusion behaviors of surfactants mixtures containing alcohol polyoxyethylene ether carboxylate (AEC) and alcohol polyoxyethylene ether (AEO) with molar ratio of 70:30 from solution to interface are investigated by atomistic MD simulation. Surfactants diffusion process, the adsorption amount and the monolayer structure are considered. It has been observed that the adsorption goes through �surfactants dissolving-formation of pre-micelles in subsurface-surfactants monolayer� process. However, the pre-micelles are so ephemeral that they only exist in the period of the magnitude of 10-11 second, making them too difficult to be detected experimentally. In addition, the surfactants adsorption ratio at interfaces is independent of surfactant concentration, although AEO diffuses faster. When adsorbed at interface, AEO molecules arrange far from each other with all hydrogen bonds formed combined with AEC. Compared with AEO configuration, AEC head_groups penetrated more into the water phase and twisted, while tail_chains stretched and ordered.

Molecular dynamics study of mixtures of alcohol polyoxyethylene ether carboxylate/alcohol polyoxyethylene ether at the air/water interface

245th National Meeting (2013)

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