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Microphase Separation of Star-diblock Copolymer Films: a Dissipative Particle Dynamics Simulation
徐毅*,冯剑,陈捷,相明辉,宋新旺,祝仰文
Author NameAffiliationE-mail
徐毅* School of Environmental and Chemical Engineering, Shanghai University, Shanghai 200444, China tree2000xy@shu.edu.cn 
冯剑 Department of Chemistry and Life Science, Chuzhou University, Chuzhou 239012, China  
陈捷 School of Environmental and Chemical Engineering, Shanghai University, Shanghai 200444, China  
相明辉 School of Environmental and Chemical Engineering, Shanghai University, Shanghai 200444, China  
宋新旺 Geological Scientific Research Institute, Shengli Oilˉeld, SINOPEC, Dongying 257015, China  
祝仰文 Geological Scientific Research Institute, Shengli Oilˉeld, SINOPEC, Dongying 257015, China  
Abstract:
The microphase-separating behaviors of two types of star-diblock copolymers (Ax)4(By)4 and (AxBy)4 in thin films are studied using the simulation technique of dissipative particle dynamics. A variety of ordered mesostructures have been observed and the simulated phase diagrams show obvious symmetries for the (Ax)4(By)4 films and asymmetries for the (AxBy)4 films, besides, it is easier for the (Ax)4(By)4 than for the (AxBy)4 to carry out microphase separation under the same conditions, which has been recognized in bulk and can be ascribed to the structural difference between the two types of star copolymers. There are some correspondences between the mesostructures formed in the film and those formed in bulk at the same composition fraction. Decreasing the thickness of film and strengthening the A-B repulsion both help the mesostructures enhance the degree of order. Composition fraction dependences of the mean-square radius of gyration in the two types of star copolymer films are almost contrary, which can be attributed to the differences in their respective structures.These findings can provide a guide to designing novel microstructures involving star-diblock copolymers via geometrical confinement.
Key words:  Microphase separation, Star-diblock copolymer films, Dissipative particle dy-namics
FundProject:
星形两嵌段共聚高分子薄膜微相分离的耗散粒子动力学模拟
Yi Xu*,Jian Feng,Jie Chen,Ming-hui Xiang,Xin-wang Song,Yang-wen Zhuc
摘要:
利用耗散粒子动力学模拟研究了两类典型的星形两嵌段共聚高分子薄膜的微相分离行为. 结果表明,(Ax)4(By)4体系的相图较(AxBy)4体系具有明显的对称性,且前者比后者更易发生相分离,与体相中的情况相近,并可归因于两类星形高分子在结构上的差异;组成相同的星形共聚高分子体系在体相与薄膜中所形成的介观结构之间存在对应关系;减小薄膜厚度与加大A-B组分间排斥强度均有利于增强所形成结构的有序性. 同样是缘于分子结构差异,两类星形高分 子薄膜中的均方回旋半径随体系组分分率的变化规律几乎相反.
关键词:  微相分离,星形两嵌段共聚高分子薄膜,耗散粒子动力学
DOI:10.1088/1674-0068/23/06/738-744
分类号: