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实空间自洽平均场理论研究 ABC 星形嵌段共聚物。

Real-space self-consistent mean-field theory study of ABC star triblock copolymers.

机构信息

Department of Macromolecular Science, The Key Laboratory of Molecular Engineering of Polymers, Ministry of Education, China, Fudan University, Shanghai 200433, China.

出版信息

J Chem Phys. 2010 Aug 14;133(6):064904. doi: 10.1063/1.3469857.

Abstract

The phase behavior of ABC star triblock copolymers is examined using real-space self-consistent mean-field theory. The central part of the triangular phase diagram for ABC triblock copolymers with equal A/B, B/C, and C/A interactions is determined by comparing the free energy of a number of candidate ordered phases. In this region of the phase diagram, the dominant microstructures are cylinders with polygonal cross sections or two-dimensional polygon-tiling patterns. Most of the known polygon-tiling patterns observed in experiments and simulations, plus some neighboring morphologies, are considered in the construction of the phase diagram. The resulting phase behavior is consistent with experiments and computer simulations.

摘要

采用实空间自洽平均场理论研究了 ABC 星形嵌段共聚物的相行为。通过比较几种候选有序相的自由能,确定了具有相等 A/B、B/C 和 C/A 相互作用的 ABC 三嵌段共聚物三角相图的中心部分。在相图的这个区域,主要的微结构是具有多边形横截面或二维多边形平铺图案的圆柱。在相图的构建中考虑了实验和模拟中观察到的大多数已知的多边形平铺图案,以及一些相邻的形态。所得的相行为与实验和计算机模拟一致。

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