Diffusion dynamics of nanoparticle and its coupling with polymers in polymer nanocomposites

被引：24

作者：

Chen, Tao ^{[1
]}

Qian, Hu-Jun ^{[1
]}

Lu, Zhong-Yuan ^{[1
]}

机构：

[1] Jilin Univ, Inst Theoret Chem, State Key Lab Supramol Struct & Mat, Changchun 130023, Jilin, Peoples R China

来源：

CHEMICAL PHYSICS LETTERS | 2017年 / 687卷

基金：

中国国家自然科学基金;

关键词：

Polymer/nanoparticle composite; Nanoparticle diffusion; Non-Gaussian; Nanoparticle/polymer coupling; MOLECULAR-DYNAMICS; MELTS; VISCOSITY; POLYSTYRENE; NETWORKS; BEHAVIOR; PATH;

D O I：

10.1016/j.cplett.2017.09.010

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Diffusion dynamics of nanoparticles in polymer nanocomposites is investigated by coarse-grained molecular dynamics simulations. We report a strong polymer chain length dependent non-Gaussian diffusion of nanoparticles (NPs) in entangled polymer melt. By analyzing the NP motion and the polymer relaxation at different length and time scales, we find that the non-Gaussian diffusion of NPs originates from a dynamic coupling at a specific length scale with the melt polymer chain segments that possess similar size with NP. Our results provide a microscopic understanding of the complex particle environment interactions and a detailed mechanism for nanoparticle diffusion in entangled polymer melt. (C) 2017 Elsevier B.V. All rights reserved.

引用

页码：96 / 100

页数：5

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