论文部分内容阅读
为了预测聚烯烃弹性体(POE)与不同聚酰胺(PA6、PA11和PA1010)的相容性及共混物的力学性能和介观形貌,采用分子动力学(MD)和介观动力学(MesoDyn)模拟方法对不同种类的POE/PA共混物进行了研究。结果表明,3种共混体系中PA11/POE共混物的拉伸模量、体积模量及剪切模量都较小,韧性比较好,力学性能和结合能最好;MesoDyn模拟结果表明,PA11与POE相容性最好。本模拟方法可以作为预测聚合物共混物性能的有利工具,也可以为高聚物配方设计提供理论参考。
In order to predict the compatibility of polyolefin elastomers (POE) with different polyamides (PA6, PA11 and PA1010) and the mechanical properties and mesoscopic appearance of blends, molecular dynamics (MD) and mesoscopic kinetics MesoDyn) simulation method for different types of POE / PA blends were studied. The results showed that the tensile modulus, the bulk modulus and the shear modulus of the PA11 / POE blends were relatively low, the toughness was better, and the mechanical properties and binding energy were the best. The results of MesoDyn simulation showed that, PA11 and POE the best compatibility. The simulation method can be used as a good tool to predict the properties of polymer blends, as well as provide a theoretical reference for polymer formulation design.