Mesoscopic simulation studies on micellar phases of Pluronic P103 solution |
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Authors: | Shouhong Yang Xiuqing Zhang Shiling Yuan |
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Institution: | (1) Key Laboratory of Colloid and Interface Chemistry, Shandong University, Jinan, 250100, People’s Republic of China |
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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.
Figure Coalescence of Micelles with time evolution for 15% vol system. □ represents spherical micelle that coalesce. (a) 180 μs, (b) 190 μs, (c)225 μs, and (d) 250 μs |
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Keywords: | Mesoscopic simulation Micelle Pluronics |
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