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Synthesis and self-assembly behavior of polyhedral oligomeric silsesquioxane-based triblock copolymers in selective solvents by dissipative particle dynamics simulation

Abstract

A polyhedral oligomeric silsesquioxane (POSS)-based hybrid triblock copolymer-methyl methacrylate-b-perfluoroalkylethyl methacrylate-b-methacrylisobutyl polyhedral oligomeric silsesquioxane (PMMA-b-PFMA-b-PMAPOSS) was synthesized via an atom transfer radical polymerization (ATRP) method. The self-assembly behavior of triblock copolymers in selective solvents of tetrahydrofuran (THF) and trichlorotrifluoroethane (F113) was studied using dissipative particle dynamics (DPD) simulation. The effects of the block sequence and volume ratio of F113/THF were discussed. The aggregate morphology and size was also characterized by transmission electron microscopy (TEM) and dynamic light scattering (DLS). The simulation results showed that the spherical micelle with core-shell-corona or core-mixed shell structure could be formed and the micelle size increased with the F113 content, which were in qualitative agreement with the experimental results. The DPD simulation revealed the dynamic process of the formation of aggregates at the mesoscopic scale, which can be considered as an adjunct to experiments and provides other valuable information for the experiments.

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Publication details

The article was received on 04 Sep 2017, accepted on 09 Jan 2018 and first published on 10 Jan 2018


Article type: Paper
DOI: 10.1039/C7CP06020C
Citation: Phys. Chem. Chem. Phys., 2018, Accepted Manuscript
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    Synthesis and self-assembly behavior of polyhedral oligomeric silsesquioxane-based triblock copolymers in selective solvents by dissipative particle dynamics simulation

    Y. Jin, D. Guo, L. Bo, S. xu, J. Cheng, L. Li, X. Wen and P. Pi, Phys. Chem. Chem. Phys., 2018, Accepted Manuscript , DOI: 10.1039/C7CP06020C

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