改性SiO2对聚丙烯复合材料绝缘性能的分子动力学模拟OA

To further improve the insulating properties of polypropylene(PP)composites and investigate their microscopic mechanism,a molecular dynamics approach was employed to establish a composite model of PP-SiO2 composites.After grafting silane coupling agents KH550,KH560 and KH792 onto the SiO2 surface,the changes in thermal properties,mechanical properties,and dielectric properties of the composites at 300 K were calculated,and the modification mechanism was elucidated through changes in the microstructure.The results indicated that silane coupling agent-modified nanoparticles improved the compatibility between organic and inorganic components,enhanced the interfacial interaction between the two phases,and ameliorated the thermal,mechanical,and dielectric properties of the composites.When the grafting density was uniformly set at 10%,the modification effect of KH560 was superior.Coupling agent-modified SiO2 nanoparticles can enhance the insulating properties of PP.