writer：Nan Yan, Yutian Zhu, Wei Jiang
keywords：ABC三嵌段共聚物, 三维软受限, Monte Carlo模拟, 自组装, 乳液液滴, 纳米结构
source：期刊
specific source：Soft Matter, 2016, 12(3), 965-972
Issue time：2016年

摘要：在三维软受限条件下，嵌段共聚物可自组装形成在无受限空间中无法制备的独特纳米结构。含三种化学性质不同链段的线性ABC三嵌段共聚物具有较复杂的链构型，是三维受限自组装的有前景候选体系。本文采用格子模型Monte Carlo方法研究了ABC三嵌段共聚物在三维软受限条件下的自组装，对应嵌段共聚物在乳液液滴中的受限自组装。通过调节ABC三嵌段共聚物的对称性、不同嵌段之间的不相容性以及溶剂性质，可获得多种纳米结构。除常见的蛹状和芽状纳米结构外，模拟还预测了多种独特结构，包括A笼与C笼交织的条纹图案纳米粒子、四个Janus B-C片层附着在四个表面的金字塔状纳米粒子、具有哑铃状A核和两个Janus B-C片层的椭球纳米粒子、A核周围环绕Janus B-C环的球形纳米粒子、具有立方A核和六个Janus B-C片层的立方纳米粒子，以及具有螺旋A、B、C结构的球形纳米粒子。

Abstract：Under three-dimensional (3D) soft confinement, block copolymers can self-assemble into unique nanostructures that cannot be fabricated in an unconfined space. Linear ABC triblock copolymer containing three chemically distinct polymer blocks possesses relatively complex chain architecture, which can be a promising candidate for 3D confined self-assembly. In the current study, Monte Carlo technique was applied in a lattice model to study the self-assembly of ABC triblock copolymer under 3D soft confinement, which corresponds to the self-assembly of block copolymers confined in emulsion droplets. We demonstrated how to create various nanostructures by tuning the symmetry of ABC triblock copolymers, the incompatibilities between different block types, and solvent properties. Besides common pupa-like and bud-like nanostructures, our simulations predicted various unique self-assembled nanostructures, including a striped-pattern nanoparticle with intertwined A-cage and C-cage, a pyramid-like nanoparticle with four Janus B-C lamellae adhered onto its four surfaces, an ellipsoidal nanoparticle with a dumbbell-like A-core and two Janus B-C lamellae and a Janus B-C ring surrounded the A-core, a spherical nanoparticle with an A-core and a helical Janus B-C stripe round the A-core, a cubic nanoparticle with a cube-shape A-core and six Janus B-C lamellae adhered onto the surfaces of A-cube, and a spherical nanoparticle with helical A, B and C structures.

论文链接：https://doi.org/10.1039/c5sm02079d