文献类型：期刊文献

英文题名：A multiscale model for predicting mechanical properties of polymer composites

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

年份：2023

卷号：282

外文期刊名：CHEMICAL ENGINEERING SCIENCE

收录：;EI(收录号：20234214904404);WOS:【SCI-EXPANDED(收录号:WOS:001095733600001)】；

基金：This work is supported by the National Natural Science Foundation of China (Nos. 21978079, 22178072 and 22108070) .

语种：英文

外文关键词：Multiscale model; Polymer composite; Mechanical properties; Stress; Polymer matrix

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.