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不同溶剂条件下多臂星型嵌段共聚物自组装的粗粒度模拟研究

Coarse-grained simulation study on the self-assembly of miktoarm star-like block copolymers in various solvent conditions.

作者信息

Li Bin, Zhao Li, Qian Hu-Jun, Lu Zhong-Yuan

机构信息

Institute of Theoretical Chemistry, State Key Laboratory of Theoretical and Computational Chemistry, Jilin University, Changchun 130023, China.

出版信息

Soft Matter. 2014 Apr 7;10(13):2245-52. doi: 10.1039/c3sm52660g.

Abstract

The self-assembly processes of miktoarm star-like block copolymers (Ax1)y-C-(Bx2)y, in which y homopolymer chains of type A with chain length x1 as well as y chains of type B with chain length x2 are connected to a center core C, are investigated by using Brownian dynamics simulations. We focus on the selective solvent condition, i.e., the solvent is poor for components B and C, but varies from good to poor for component A. The miktoarm star-like block copolymers with A and B arms of equal length can form spherical micelles when the solvent is good for component A. In the same solvent conditions, the micelles contain fewer miktoarm star-like block copolymers as the arm length increases. When the solvent is poor for component A, the miktoarm star-like block copolymers can self-assemble into cylindrical or disk-like micelles with decreasing solvent quality. For the miktoarm star-like block copolymers with longer B arms but shorter A arms, self-assembly into spherical vesicles is possible in a wide range of solvent conditions.

摘要

研究了多臂星形嵌段共聚物(Ax1)y-C-(Bx2)y的自组装过程,其中y条链长为x1的A类均聚物链以及y条链长为x2的B类链连接到中心核C上,采用布朗动力学模拟进行研究。我们关注选择性溶剂条件,即该溶剂对组分B和C是不良溶剂,但对组分A从良溶剂到不良溶剂变化。当溶剂对组分A是良溶剂时,具有等长A和B臂的多臂星形嵌段共聚物可形成球形胶束。在相同溶剂条件下,随着臂长增加,胶束中含有的多臂星形嵌段共聚物减少。当溶剂对组分A是不良溶剂时,随着溶剂质量降低,多臂星形嵌段共聚物可自组装成圆柱形或盘状胶束。对于具有较长B臂但较短A臂的多臂星形嵌段共聚物,在广泛的溶剂条件下有可能自组装成球形囊泡。

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