复杂“星形”表面活性聚合物自组装行为的耗散粒子动力学模拟

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

表面活性聚合物因其改变溶液表面张力的功能,广泛应用于医疗以及化工领域.在溶液中表面活性聚合物自组装形成胶束形态决定溶液的流变性,影响自组装结构形成的因素是其研究的热点.采用耗散粒子动力学模拟方法,考察了多臂“星形”表面活性聚合物的自组装结构,通过改变表面活性聚合物链的亲疏水性,亲水基团和疏水基团的种类以及表面活性聚合物结构探索了各因素对“星形”表面活性聚合物自组装行为的影响.结果表明:“星形”表面活性聚合物能够自组装形成球形、层状、柱状/管状及囊泡胶束,溶剂条件、疏水链长度及亲疏水基团种类对胶束形态作用显著,囊泡变形规律受次级拓扑结构作用明显.

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.