Dissipative particle dynamics simulation on the meso-scale structure of diblock copolymer film

被引:5
|
作者
Xu, JB
Wu, H
Lu, DY
He, XF
Wen, H [1 ]
机构
[1] Chinese Acad Sci, Inst Proc Engn, Multi Phase React Lab, Beijing 100080, Peoples R China
[2] Chinese Acad Sci, Grad Sch, Beijing 100049, Peoples R China
关键词
block copolymer; dissipative particle dynamics; solid boundary condition; meso-scale simulation;
D O I
10.3866/PKU.WHXB20060104
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Simulation of the meso-scale structures of diblock copolymers between two parallel plates is performed using dissipative particle dynamics (DPD). The simulation results show that the discontinuous increase of number of layers appears in meso-scale sandwich structure with an existence of atactic transition, when the plate-to-plate distance increases. An approximately linear relationship exists between the sandwich structure conversion, which is approximately in proportion to the 2/3th power of the chain length of copolymer, and number of layers. The end-to-end distance of copolymer chain presents a periodic oscillation behavior, and the amplitude decreases gradually, when the plate-to-plate distance increases.
引用
收藏
页码:16 / 21
页数:6
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