聚丙烯/聚苯乙烯共混体系相态结构的耗散粒子动力学模拟  

Dissipative Particle Dynamics Simulation on the Phase Morphologies of Polypropylene/Polystyrene Blending System

作　　者：陆未谷[1] 张玉梅[2] 陈彦模[1] 

机构地区：[1]东华大学材料科学与工程学院,上海201620 [2]东华大学纤维材料改性国家重点实验室,上海201620

出　　处：《东华大学学报（自然科学版）》2013年第5期571-576,621,共7页Journal of Donghua University(Natural Science)

摘　　要：通过计算Flory-Huggins相互作用参数,采用耗散粒子动力学(dissipative particle dynamics,DPD)模拟方法对聚丙烯(PP)/聚苯乙烯(PS)共混体系的相态结构进行研究.结果表明,共混体系温度越高,剪切速率越大,则分散相的分散性越好,颗粒尺寸越小.通过对分散相聚并过程的观察,发现剪切过程又能诱导聚并发生.另外,随着PS相对分子质量的增加,PS相的黏度增加,造成PP和PS黏度比变大,分散相尺寸差异变大.Dissipative particle dynamics （DPD） simulation is used to investigate the morphology of polypropylene （pp）/polystyrene （PS） blending system by calculating the Flory-Huggins parameters. The results show that the higher temperature of the blending system and the larger shear rate would cause the better dispersion of the dispersed phase and the smaller particles. Simultaneously, it can be learned from the observation of the coalescence process of the dispersed phase that the shearing process can also induce the coalescence. In addition, as the relative molecular mass of PS increases, the viscosity of the PS phase would increase, bringing about larger viscosity ratio of PP and PS and larger size difference of dispersed phase.

关 键 词：分子模拟 耗散粒子动力学 共混体系 聚丙烯 

分 类 号：O631.13[理学—高分子化学]