PP-g-MAH对PS/PP共混体系影响的DPD模拟  

Effects of PP-g-MAH on PS/PP Blends by DPD Simulation

作　　者：张鹏[1] 李彦周[1] 吴飞[1] 杨帆[1] 陈占春[1] 

机构地区：[1]太原理工大学机械工程学院,山西太原030024

出　　处：《塑料科技》2017年第7期36-41,共6页Plastics Science and Technology

基　　金：国家青年科学基金项目(51303123);太原理工大学青年基金项目(2012L065)

摘　　要：采用Materials Studio软件中的耗散粒子动力学(DPD)模块对聚苯乙烯/聚丙烯(PS/PP)二元共混体系和PS/PP/马来酸酐接枝聚丙烯(PP-g-MAH)三元共混体系进行了研究。随着PS/PP和PS/PP/PP-g-MAH组分的变化,介观模拟出形态不同的有序结构(如层状、层穿孔、圆柱状和球状体心立方)。当PS/PP的质量比为10/90时,在无序和有序结构中发现了胶束熔融结构。通过对比表面张力发现,PS/PP的质量比为10/90时表面张力最小。在PS/PP的质量比为10/90时,加入不同用量的PP-g-MAH进行对比分析,结果发现,当PP-g-MAH用量超过5%后,虽对PS/PP二元共混体系有一定的增容作用,但是PP-g-MAH会发生自聚,因此PP-g-MAH的用量不宜超过5%。The dissipative particle dynamics（DPD） simulation method in Materials Studio software has been used to study mesophase formation of the binary PS/PP and ternary PS/PP/PP-g-MAH blends. As compositions of the PS/PP and PS/PP/PP-g-MAH blends vary, the mesoscale simulations have predicted the ordered structures with defined morphologies of lamellas, perforated lamellas, cylinder columnar and body-centered-cubic spheres. Micelle-like melted structures between totally disordered and the ordered phases have also been found in the PS/PP（10/90） blends. By comparing the interfacial tension, it is found that the interfacial tension of PS/PP blend is the smallest when the ratio is 10/90. Compared the DPD simulation results of PS/PP（10/90） blends with different content of PP-g-MAH, it is found that when the content of PP-g-MAH is more than 5%, although it has a certain compatibilization effect on the PS/PP binary blends, but the PP-g-MAH will be self polymerization, so the content of PP-g-MAH should less than 5%.

关 键 词：耗散粒子动力学 聚苯乙烯 聚丙烯 马来酸酐接枝聚丙烯 

分 类 号：TQ320.1[化学工程—合成树脂塑料工业]