Dissipative particle dynamics simulationof the self-assembled structural behavior of complex “star” surface-active polymers

Abstract

Abstract: Surfactant polymers are widely used in medical and chemical fields because of their ability to change the surface tension of solution. The micelles formed by self-assembly surfactant polymers in solution can determine the rheological properties, and a lot of researches have been carried out on the self-assembly behavior of surfactants, among which the factors affecting the formation of self-assembly structure are the focus. Dissipative particle dynamics (DPD) method is applied, the self-assembly structure of multi-arm "star" surfactant polymers is investigated. The effects of various factors on the self-assembly behavior of “star” surfactant polymers are explored by changing the hydrophilicity and hydrophobicity of chain segments, the types of hydrophilic groups and hydrophobic groups, and the structure of surfactant polymers. The results shows that star surfactant polymers can self-assemble into spherical layered columnar/tubular and vesicle micelles. The solvent conditions, length of hydrophobic chain and the type of hydrophilic and hydrophobic groups have significant effects on the morphology of micelles, and the vesicle deformation is obviously affected by the secondary topological structure. The self-assembly mechanism of the surfactant can be used in the research of oil drilling and drug delivery.

Key words: surfactant, star topological structure, self-assembly, dissipative particle dynamics

CLC Number:

TB324

LI Hui, WANG Zhen-yu, WANG Ning, WEI Yuan-yuan ZHAO Hai-tao, CHEN Zhen-bin, LIN Qiao-li. Dissipative particle dynamics simulationof the self-assembled structural behavior of complex “star” surface-active polymers[J]. Journal of Lanzhou University of Technology, 2022, 48(4): 19-24.

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