Effect of nanosilica with different interfacial structures on mechanical properties of polyimide/SiO2 composites
Effect of nanosilica with different interfacial structures on mechanical properties of polyimide/SiO2 composites
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DOI：
10.1002/app.48595
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发表时间：
2019-10-11
影响因子：
3
通讯作者：
Yang, Wenlong
中科院分区：
文献类型：
--
作者：
Liang, Mengfan;Wang, Yu;Yang, Wenlong
本文采用分子动力学（MD）模拟方法研究了偶联剂、SiO2粒径和颗粒形状对聚酰亚胺（PI）力学性能的影响，并通过实验研究了偶联剂处理SiO2表面对PI力学性能的影响。在相同的掺杂体积分数（5%）下，模拟结果表明，随着纳米颗粒的半径增大，基体与颗粒之间的表面相互作用能逐渐增大。同时，球形纳米粒子的界面相互作用能和力学性能明显高于其他形状的纳米粒子。将模拟结果与实验结果进行了对比，原子力显微镜和扫描电镜图像证实了偶联剂处理后纳米SiO2与PI之间的界面相互作用增强了不少。力学性能测试结果表明，纯PI、未键合（UB）PI/SiO_2和键合PI/SiO_2薄膜的拉伸强度和弹性模量分别为34.47和1.13、36.46和1.32、66.20 MPa和1.72 GPa。指出偶联剂在纳米复合材料中起着至关重要的作用。(c)2019 Wiley Periodicals，Inc. J.应用聚合物Sci. 2019，137，48595。
In this article, the effects of coupling agent, silica particle size, and particle shape on the mechanical properties of polyimide (PI) were studied by molecular dynamics (MD) simulations, and the effect of SiO2 surface treated with coupling agent on the mechanical properties of PI was investigated by experiment. At the same doping volume fraction (5%), the simulation results show that the surface interaction energy between the matrix and particle gradually increases with the radius of the embedded nanoparticles. Meanwhile, the interface interaction energy and mechanical properties of the sphere-type were significantly higher than the ones of other shaped nanoparticles. Moreover, the simulations were compared with the experimental results; atomic force microscopy and scanning electron microscopy images can verify that after being treated with coupling agent, interface interaction between nanosilica and PI enhances quite a little. The mechanical experimental results show that the tensile strength and elasticity modulus of pure PI, unbonded (UB) PI/SiO2, and bonded PI/SiO2 films are 34.47 and 1.13, 36.46 and 1.32, and 66.20 MPa and 1.72 GPa, respectively. It is indicated that the coupling agent plays a crucial role in nanocomposites. (c) 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 137, 48595.