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The self-assembly of linear-dendritic and lipid-like copolymers investigated by computer simulations

机译：线性树突状和类脂质共聚物的自组装通过计算机模拟研究

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摘要

Amphiphiles have long been attractive for their spontaneous formation of diverse structures and potential applications. Here, the self-assembly of binary mixtures with various hydrophilic/hydrophobic ratios is systematically investigated by dissipative particle dynamics simulations. On increasing the proportion of linear-dendritic copolymers, the self-assembled structure changes from a compound vesicle to a netlike micelle. Additionally, more structures including the high-genus vesicle, toroidal vesicle, oblate vesicle, and the perforated vesicle are obtained at different mixing ratios. The spontaneous curvature of self-assembling morphologies is the critical factor for shaping their final structures. Furthermore, stress is released as much as possible via the intelligent distribution of two amphiphiles, which makes the structures more stable than those obtained in pure amphiphile systems. Moreover, the slow release of the potential energy stored in the initially self-assembled components may induce the system into a metastable state and the self-assembly can be kinetically controlled by a pathway-directing process.
机译：长久以来，两亲性因其自发形成各种结构和潜在应用而吸引。在此，通过耗散粒子动力学模拟系统地研究了具有各种亲水/疏水比的二元混合物的自组装。随着线性-树枝状共聚物的比例增加，自组装结构从复合囊泡变为网状胶束。另外，以不同的混合比获得了更多的结构，包括高属囊泡，环形囊泡，扁圆形囊泡和穿孔囊泡。自组装形态的自发曲率是塑造其最终结构的关键因素。此外，通过两个两亲物的智能分布，尽可能释放应力，这使结构比在纯两亲物系统中获得的结构更稳定。此外，存储在初始自组装组件中的势能的缓慢释放可能会导致系统进入亚稳态，并且可以通过路径引导过程动力学地控制自组装。

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