文献类型：期刊文献

英文题名：Theoretical modeling and simulations of self-assembly of copolymers in solution

作者：Zhang, Qian[1];Lin, Jiaping[1];Wang, Liquan[1];Xu, Zhanwen[1]

机构：[1]East China Univ Sci & Technol, Shanghai Key Lab Adv Polymer Mat, State Key Lab Bioreactor Engn, Key Lab Ultrafine Mat,Minist Educ,Sch Mat Sci & E, Shanghai 200237, Peoples R China

年份：2017

卷号：75

起止页码：1

外文期刊名：PROGRESS IN POLYMER SCIENCE

收录：;EI(收录号：20172003670398);WOS:【SCI-EXPANDED(收录号:WOS:000417668900001)】；

基金：This work was supported by the National Natural Science Foundation of China (21234002, and 21474029). Support from Projects of Shanghai municipality (16520721900, 14DZ2261205) is also appreciated.

语种：英文

外文关键词：Self-assembly of copolymers in solution; Modeling and simulation; Linear copolymer; Branched copolymer; Polymer mixtures; Nanostructure

摘要：Self-assembly of copolymers in solution is a promising way to prepare novel materials. An accurate control over the self-assembly of copolymers in solution requires a profound understanding about the related thermodynamic rules and kinetic mechanisms. Theoretical modeling and simulation play an increasingly important role in characterizing the structure details and the formation process of polymer assemblies. In this review, we first introduce theoretical modeling and simulation methods that have been applied to investigate the self-assembly of copolymers in solution, including particle-based methods, field-theoretical methods and hybrid modeling methods Then, the application of these methods for the self-assembly of linear block copolymers in solution is highlighted, including the thermodynamic rules and kinetic mechanisms underlying the formation of self-assembled structures. Furthermore, the simulation works of the self-assembly of branched copolymer systems. including graft copolymers, starlike copolymers, dendritic copolymers and bottle-brush copolymers, are addressed. In addition to the one-component polymer systems, simulation investigations of polymer mixture systems are discussed, both the polymer/polymer systems and polymerinanoparticle systems are considered. Finally, perspectives on the theoretical modeling and simulation in the field of self-assembly of copolymers in solution are presented in the section of concluding remarks and outlook. (C) 2017 Elsevier B.V. All rights reserved.