Citation: CHEN Mei-Ling, WANG Li-Xiang, CHEN Shan-Shan, LIU Xiao-Ya. Surface Hydrophilicity of Spherical Micelle from Self-Assembly of Random Copolymer: A Dissipative Particle Dynamics Simulation[J]. Acta Physico-Chimica Sinica, ;2013, 29(06): 1201-1208. doi: 10.3866/PKU.WHXB201303202 shu

Surface Hydrophilicity of Spherical Micelle from Self-Assembly of Random Copolymer: A Dissipative Particle Dynamics Simulation

1.
The Key Laboratory of Food Colloids and Biotechnology, Ministry of Education, School of Chemical and Material Engineering, Jiangnan University, Wuxi 214122, Jiangsu Province, P. R. China

Received Date: 8 January 2013
Available Online: 20 March 2013
Fund Project: 国家自然科学基金(20974041) (20974041)中央高校基本科研项目(JUSRP211A11)资助 (JUSRP211A11)

Coarse-grained models with different ratios of numbers of hydrophilic particles to hydrophobic particles were built for amphiphilic random copolymers. The surface hydrophilicity of spherical micelles formed from self-assembly of amphiphilic random copolymers in solution was investigated via dissipative particle dynamics (DPD) simulations. The simulations showed that solid spherical micelles are formed from self-assembly of amphiphilic random copolymers in selective solvents. The surface hydrophilicity of spherical micelles is related to the content of hydrophilic particles and selectivity of the solvent. The surface hydrophilicity of spherical micelles increases with increasing content of hydrophilic particles. In addition, the surface hydrophilicity of spherical micelles increases with the increase of the repulsion parameters between hydrophobic particles and solvent, which is in od agreement with the experimental results. These findings can provide theoretical guidance for molecular design and experimental studies on selfassembly of amphiphilic random copolymers in solution.
- Amphiphilic random copolymer,
- Self-assembly,
- Dissipative particle dynamics,
- Spherical micelle,
- Hydrophilicity
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