双嵌段共聚物薄膜介观结构的耗散粒子动力学模拟  

Dissipative Particle Dynamics Simulation on the Meso-scale Structure of Diblock Copolymer Film

作　　者：徐俊波[1,2] 吴昊[1,2] 陆冬云[1] 何险峰[1] 温浩[1] 

机构地区：[1]中国科学院过程工程研究所多相反应重点实验室 [2]中国科学院研究生院,北京100049

出　　处：《物理化学学报》2006年第1期16-21,共6页Acta Physico-Chimica Sinica

基　　金：国家自然科学基金(20221603;20273075)资助项目

摘　　要：采用耗散粒子动力学(DissipativeParticleDynamics,DPD)方法模拟两平行平板间的双嵌段共聚物体系的介观结构.模拟结果表明,随板间距的增大,体系分层数量的增加是不连续的,在分层数量的增加过程中,出现不规则结构的过渡区;聚合物链末端距随板间距的增大呈周期性振荡,振荡幅度逐渐减小.对模拟结果的分析表明:层状结构转变点与分层数量之间存在近似线性关系;层状结构转变点近似与共聚物链长的2/3次方成正比.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.

关 键 词：嵌段共聚物 耗散粒子动力学 固体边界条件 介观模拟 

分 类 号：O484.1[理学—固体物理]