塑料科技2026，Vol.54Issue(3)：74-80,7.DOI:10.15925/j.cnki.issn1005-3360.2026.03.013
改性SiO2对聚丙烯复合材料绝缘性能的分子动力学模拟
Molecular Dynamics Simulation of Insulating Properties of Modified SiO2 on Polypropylene Composites
摘要
Abstract
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.关键词
聚丙烯/二氧化硅/硅烷偶联剂/绝缘性能/分子动力学Key words
Polypropylene/Silica/Silane coupling agent/Insulating properties/Molecular dynamics分类
化学化工引用本文复制引用
武艳强,张鑫,卢艺博,陈叶,高稳,郭文燕,张彪,贾景行..改性SiO2对聚丙烯复合材料绝缘性能的分子动力学模拟[J].塑料科技,2026,54(3):74-80,7.基金项目
国网山西省电力公司科技项目(5205S124001) （5205S124001）
