PP/PA11共混物相容性的介观动力学模拟  

Mesoscopic Dynamic Simulation on the Blends Compatibility of Polypropylene and Polyamide 11

作　　者：梁晓艳[1,2] 廖黎琼[1,2] 付一政[1,2] 张彦飞[1,2] 刘亚青[1,2] 

机构地区：[1]中北大学材料科学与工程学院 [2]中北大学山西省高分子复合材料工程技术研究中心,山西太原030051

出　　处：《高分子材料科学与工程》2011年第10期49-53,共5页Polymer Materials Science & Engineering

基　　金：国防973资助项目(61338);山西省青年科技研究基金(2010021023-5);太原市大学生创新创业专题项目(100115127)

摘　　要：采用分子动力学模拟方法研究了聚丙烯(PP)/尼龙11(PA11)共混物的相互作用参数,并将其转化为介观动力学MesoDyn模拟的输入参数。MesoDyn模拟研究了PP和PA11介观相分离行为,得到了共混物的介观形貌与动力学演变过程。结果表明,通过比较混合物的有序度参数的大小可以判断混合物的相容性,当PP/PA11为90/10时,混合物具有一定的相容性。通过模拟得到的等密度图可以观察混合物的介观形貌,其形貌与实验结果基本一致。The interaction parameters of PP/PA11 blends were simulated by molecular dynamics simulation,then they were converted into the mesoscopic dynamic MesoDyn input parameters.MesoDyn simulation method was used to simulate the mesoscopic phase separation behavior of polypropylene（PP） with polyamide11（PA11）,and the morphology and kinetic formation process of copolymer aggregate were obtained.The order parameters computed for different blends can predict the blend miscibility,and at 90/10 blend composition of PP/PA11,partial miscibility was observed.Kinetics of phase separation was examined using density profiles calculated from the MesoDyn approach to examine mesoscopic morphology of the blends,and the morphologies of this study are correlated well with the reported data.

关 键 词：聚丙烯 尼龙11 相容性 分子动力学模拟 介观动力学模拟 

分 类 号：O641.3[理学—物理化学]