Molecular Dynamics Simulation of the Effect of Silane Coupling Agent Modified SiO2 on the Properties of Polypropylene Nanocomposites

被引：0

作者：

Liu, Xuanhe ^{[1
]}

Men, Rujia ^{[1
]}

Jiang, Wanting ^{[2
]}

Li, Lei ^{[3
]}

Wang, Wei ^{[4
]}

Lei, Zhipeng ^{[1
]}

机构：

[1] College of Electrical and Power Engineering, Taiyuan University of Technology, Taiyuan

[2] Linfen Power Supply Company, State Grid Shanxi Electric Power Company, Linfen

[3] China Energy Engineering Group Shanxi Electric Power Engineering Co., Ltd., Taiyuan

[4] Electric Power Research Institute of State Grid Shanxi Electric Power Company, Taiyuan

来源：

Gaodianya Jishu/High Voltage Engineering | 2025年 / 51卷 / 06期

基金：

中国国家自然科学基金;

关键词：

electrical properties; mechanical properties; molecular dynamics simulation; nano-silica; polypropylene; silane coupling agent; thermal properties;

D O I：

10.13336/j.1003-6520.hve.20241855

中图分类号：

学科分类号：

摘要：

Silane coupling agents are widely used to improve the compatibility between nanoparticles and polymers. In this paper, the effects of nano-SiO2 modified by KH550, KH560 and KH792 silane coupling agents on the properties of polypropylene composites are studied by molecular dynamics simulation. The effects of coupling agent on the thermal, mechanical and electrical properties of polypropylene nanocomposites are discussed by analyzing the cohesive energy density, binding energy, free volume, and rotation radius. The results show that the thermal, mechanical and electrical properties of polypropylene nanocomposites are improved after the addition of silane coupling agent modified nano-SiO2. The silane coupling agent not only improves the compatibility between the nanoparticles and the polypropylene matrix, increases the cohesive energy density and the interfacial bonding force, but also affects the motion state of the molecular chain by changing the free volume, thereby changing the glass transition temperature, thermal conductivity, rigidity, toughness, relative dielectric constant and breakdown strength of the polypropylene nanocomposites. In addition, the alkyl coupling agent can also change the electrostatic potential distribution and band gap of nano-SiO2, and further improves the electrical properties. © 2025 Science Press. All rights reserved.

引用

页码：2691 / 2701

页数：10

共 39 条

[1]

OUYANG Benhong, ZHAO Peng, HUANG Kaiwen, Et al., Review on progress of thermoplastic polypropylene cable materials, High Voltage Engineering, 49, 3, pp. 907-919, (2023)

[2]

HOU Shuai, ZHAN Yunpeng, ZHU Wenbo, Et al., The formation and properties of conductive network in POE blended polypropylene based semi-conductive shielding material for cable, High Voltage Engineering, 49, 3, pp. 1000-1006, (2023)

[3]

JIANG Wanting, LEI Zhipeng, MEN Rujia, Et al., Crystallization adjustment mechanism and performance of polypropylene/elastomer composites, Proceedings of the CSEE, 44, 22, pp. 9099-9110, (2024)

[4]

ZHENG C J, YANG J M, ZHAO H, Et al., AC performance, physical and mechanical properties of polypropylene/polyolefin elastomers blends, 2018 12th International Conference on the Properties and Applications of Dielectric Materials(ICPADM), pp. 910-913, (2018)

[5]

GAO Y, LI J, XU X R, Et al., Effects of nanofiller and voltage stabilizer on partial discharge resistance of polypropylene/elastomer blends: a comparison study, High Voltage, 8, 2, pp. 251-261, (2023)

[6]

LEI Z P, FABIANI D, BRAY T, Et al., Space charge behavior of quantum Dot-Doped polystyrene polymers, IEEE Transactions on Dielectrics and Electrical Insulation, 28, 3, pp. 753-761, (2021)

[7]

ZHOU Y, HE J L, HU J, Et al., Surface-modified MgO nanoparticle enhances the mechanical and direct-current electrical characteristics of polypropylene/polyolefin elastomer nanodielectrics, Journal of Applied Polymer Science, 133, 1, (2016)

[8]

HU S X, ZHOU Y, YUAN C, Et al., Surface-modification effect of MgO nanoparticles on the electrical properties of polypropylene nanocomposite, High Voltage, 5, 3, pp. 249-255, (2020)

[9]

LIN O H, AKIL H M, ISHAK Z A M., Surface-activated nanosilica treated with silane coupling agents/polypropylene composites: mechanical, morphological, and thermal studies, Polymer Composites, 32, 10, pp. 1568-1583, (2011)

[10]

DANG B, LI Q, ZHOU Y, Et al., Suppression of elevated temperature space charge accumulation in polypropylene/elastomer blends by deep traps induced by surface-modified ZnO nanoparticles, Composites Science and Technology, 153, pp. 103-110, (2017)

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