Dissipative Particle Dynamics Simulation of Microscopic Properties in Diblock Copolymer Films  

两嵌段共聚高分子薄膜中微观性质的耗散粒子动力学模拟

作　　者：徐毅[1] 宋小瑜[2] 张彰[1] 王勇[1] 陈捷[1] 朱宪[1] 

机构地区：[1]上海大学环境与化学工程学院化工系,上海200444 [2]华东理工大学化学与分子工程学院,上海200237

出　　处：《Chinese Journal of Chemical Physics》2010年第3期274-280,I0001,共8页化学物理学报（英文）

摘　　要：Mean-square bond length, root-mean-square end-to-end distance and gyration radius in diblock copolymer films have been studied by dissipative particle dynamics simulations. Results show evident linear trends of any property separately with the thickness of film, the interaction between particles of different types, the repulsion between particle and boundary, except for the dependence of the variations of mean-square bond length on the thickness of film, which exhibits as a wave trend. What＇s more, the varying trends of mean-square bond length and root-mean-square end-to-end distance can correspond to each other. The density distribution of either component in diblock copolymer film can be controlled and adjusted effectively through its interaction with boundary.

关 键 词：Diblock copolymer film Microscopic property Dissipative particle dynamics 

分 类 号：O[理学]