Mesoscopic simulation studies on micellar phases of Pluronic P103 solution

Abstract

The microphase separation dynamics of the triblock copolymer surfactant P103 [(ethylene oxide)17(propylene oxide)60(ethylene oxide)17] was investigated by a dynamic variant of mean-field density functional theory. Different self-assembled aggregates, spherical micelles, micellar clusters and disk-like micelles, are explored in the solution. The spherical micelle above critical micelle concentration (CMC) is a dense core consisting mainly of PPO and a hydrated PEO swollen corona, and is in good agreement with the experimental results concerning their structures. At a concentration of 10-15%, micellar clusters with a larger PPO core form as a result of coalescence among spherical micelles. At concentrations above 16% by volume, a series of disk-like micelles come into being. The order parameters show that spherical micelles are easily formed, while the micellar clusters or disk-like micelles need a longer time to reach steady equilibrium. The results show that mesoscopic simulation can augment experimental results on amphiphilic polymers, and provide some mesoscopic information at the mesoscale level.