采用耗散粒子动力学(Dissipative Particle Dynamics,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.