A multiscale model for predicting mechanical properties of polymer composites

被引：6

作者：

Yin, Jinping ^{[1
,2
]}

Wang, Xuan ^{[1
,2
]}

Tang, Weiqiang ^{[1
,2
]}

Xu, Xiaofei ^{[1
,2
]}

Zhao, Shuangliang ^{[1
,2
,3
,4
]}

Xuan, Fu-zhen ^{[5
]}

机构：

[1] East China Univ Sci & Technol, State Key Lab Chem Engn, Shanghai 200237, Peoples R China

[2] East China Univ Sci & Technol, Sch Chem Engn, Shanghai 200237, Peoples R China

[3] Guangxi Univ, Guangxi Key Lab Petrochem Resource Proc & Proc Int, Nanning 530004, Peoples R China

[4] Guangxi Univ, Sch Chem & Chem Engn, Nanning 530004, Peoples R China

[5] East China Univ Sci & Technol, Sch Mech & Power Engn, Key Lab Pressure Syst & Safety MOE, Shanghai 200237, Peoples R China

来源：

CHEMICAL ENGINEERING SCIENCE | 2023年 / 282卷

基金：

中国国家自然科学基金;

关键词：

Multiscale model; Polymer composite; Mechanical properties; Stress; Polymer matrix; GLASS-TRANSITION TEMPERATURE; STRESS-STRAIN BEHAVIOR; PARTICLE-SIZE; AMMONIUM-PERCHLORATE; FORCE-FIELD; STRENGTH; DEPENDENCE; FILLER;

D O I：

10.1016/j.ces.2023.119352

中图分类号：

TQ [化学工业];

学科分类号：

0817 ;

摘要：

Owing to the multiscale structural characteristics and complex internal coupling, the evaluation of mechanical properties of a polymer composite upon its microstructural information is challenging. Herein, we propose a multiscale method for predicting the mechanical properties of polymer composites by accounting for the contributions of the polymer matrix and those from particle filling and particle-matrix interactions. The former contributions are addressed with the reference polymer matrix by means of molecular dynamic simulation, while the latter are described by a revised continuum model with the input from basic experimental data. The proposed model, validated with the corresponding experimental measurements, indicates that a small difference in the matrix composition can lead to a significant deviation of 60% in the ultimate stress at room temperature, and that the particle size distribution has a synergistic effect, resulting in a nonmonotonic dependence of the mechanical properties on the average particle size. This study provides a feasible engineering tool for evaluating the mechanical properties of polymer composites.

引用

页数：11

共 77 条

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