Dissipative Particle Dynamics Simulations on the Self-Assembly of New Segmented Random-Block Copolymers in Selective Solvents |
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Authors: | Meiling Chen Meng Sun Xiaoya Liu |
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Institution: | 1. The Key Laboratory of Food Colloids and Biotechnology, Ministry of Education, School of Chemical and Material Engineering, Jiangnan University, Wuxi, Chinamling-chen@163.com;3. The Key Laboratory of Food Colloids and Biotechnology, Ministry of Education, School of Chemical and Material Engineering, Jiangnan University, Wuxi, China |
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Abstract: | Dissipative particle dynamics simulation was applied to investigate the self-assembly of new segmented random-block copolymers (A-co-B)-b-B in selective solvents. The coarse-grained models of random-block copolymers were built. The effects of the composition of the copolymer, the interaction parameters, the volume fractions, as well as the ratio of hydrophilic particles to hydrophobic particles in the random segment, on the morphology of the aggregations were systematically investigated. The results showed that new segmented random-block copolymers (A-co-B)-b-B could self-assemble into rodlike micelle, spherical micelle and two-compartment micelle. Oval-shaped micelle and spherical micelle could be formed at different volume fractions. The simulation results provide an important reference to the design and synthesis of specific micelles. |
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Keywords: | Amphiphilic random copolymer dissipative particle dynamics micelle self-assembly |
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