嵌段共聚物纳米结构设计的计算机模拟研究

嵌段共聚物在本体或在选择性溶剂中可以通过微相分离或自组装形成各种各样的纳米结构,如层状相、球状、棒状及碟状胶束、双层膜、囊泡、纳米管等.这些纳米结构在药物输送、微电子学、先进材料等领域具有令人瞩目的应用前景.因此,研究嵌段共聚物形成纳米有序结构的过程以及理解复杂纳米结构的形成机理具有非常重要的意义.由于嵌段共聚物纳米聚...

DESIGNING NANO-STRUCTURES OF BLOCK COPOLYMERS VIA COMPUTER SIMULATION

Amphiphilic block copolymers in selective solutions can self-assemble into various morphologies,such as spherical,rodlike and disklike micelles,bilayer membranes,vesicles and nanotubes.These aggregated nano-structures are of great potential in drug delivery,microelectronics and advanced material applications.Therefore,it is very important to study the phase behaviors of block copolymers and understand the formation mechanism of complex aggregated nano-structures.Due to the complexity of these aggregated nano-structures,computer simulations can be used as a powerful tool to study the phase behaviors of block copolymers.In this review,we mainly cover recent developments in the field of mesoscopic computer simulations of structure design for block copolymers.Specifically,dissipative particle dynamics simulations,self-consistent field theory dynamic density functional theory and Monte Carlo simulations will be the main themes in this review.