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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 polystyrene / polypropylene (PS / PP) binary blends and PS / PP / maleic anhydride grafted polypropylene (PP-g-MAH) were prepared by dissipative particle dynamics (DPD) ) Ternary blend system was studied. With the changes of PS / PP and PS / PP / PP-g-MAH compositions, mesomorphic structures with different morphologies (layered, perforation, cylindrical and spherical cubic) were observed. When the mass ratio of PS / PP is 10/90, the micellar melt structure is found in disordered and ordered structure. By comparing the surface tension, it is found that the surface tension is the smallest when the mass ratio of PS / PP is 10/90. At the mass ratio of PS / PP of 10/90, PP-g-MAH with different dosages was compared and analyzed. It was found that when the amount of PP-g-MAH exceeds 5% The system has a certain compatibilization effect, but PP-g-MAH will occur from the polymerization, so the amount of PP-g-MAH should not exceed 5%.