星形AB共聚物和A均聚物的共组装模拟研究  

Simulation of co-assembly of star-shaped AB copolymer and A homopolymers

作　　者：段润宇 DUAN Run-Yu(School of Physics and Technology,Xinjiang University,Urumqi 830017,China)

机构地区：[1]新疆大学物理科学与技术学院,乌鲁木齐830017

出　　处：《原子与分子物理学报》2025年第5期90-94,共5页Journal of Atomic and Molecular Physics

基　　金：国家自然科学基金(21863010)。

摘　　要：具有独特结构的纳米粒子在高分子材料领域具有广泛的应用.本文采用耗散粒子动力学模型系统的研究了三臂星形AB二嵌段共聚物和A均聚物共混体系的共组装相行为.通过调节聚集体中星形共聚物浓度和AB嵌段的长度比有效地控制了AB/A共混体系中聚集体的共组装形貌.预测了一些有趣的结构,比如,具有较厚壳层的核-壳-补丁结构、具有壳层的且中心凹陷的圆盘状结构以及不规则椭球的多室结构.本文还发现对于具有较长A嵌段的星形链,增大A均聚物在聚集体中的浓度能够消除聚集体内B嵌段形成的核;对于具有较短A嵌段的星形链,少量的A均聚物能够诱导聚集体共组装成具有长条状核的多室纳米粒子.Nanoparticles with unique structures are widely used in polymer materials.In this paper,the co-assembled phase behavior of three-armed star-shaped AB diblock copolymers and homopolymers blending systems was systematically investigated by using a dissipative particle dynamics model.The morphology of AB/A blends co-assembly was effectively controlled by adjusting the concentration ratio of the star-shaped copolymer in aggregate and the length ratio of the AB block.Some interesting structures were predicted,such as the core-shell-patch structure with a thicker shell layer,the disc-like structure with a depressed centre of the shell layer,and the multicompartmental structure with an irregular ellipsoidal shape.It is also found that for star-shaped chains with long A-block,increasing the concentration of A homopolymer in the aggregates can eliminate the nuclei formed by B-block within the aggregates.For star-shaped chains with short A-block,a small amount of A homopolymers can induce the aggregates to co-assemble into multi-compartmental nanoparticles with long striped nuclei.

关 键 词：耗散粒子动力学 星形二嵌段共聚物 共组装 纳米粒子 

分 类 号：O56[理学—原子与分子物理]