文献类型：期刊文献

英文题名：Tensile performance and viscoelastic properties of rubber nanocomposites filled with silica nanoparticles: A molecular dynamics simulation study

作者：Shi, Ruifang[1];Wang, Xuan[1];Song, Xianyu[2];Zhan, Bicai[3];Xu, Xiaofei[1];He, Jionghao[3];Zhao, Shuangliang[1,4]

机构：[1]East China Univ Sci & Technol, Sch Chem Engn, State Key Lab Chem Engn, Shanghai 200237, Peoples R China;[2]Chongqing Three Gorges Univ, Sch Environm & Chem Engn, Chongqing Key Lab Water Environm Evolut & Pollut C, Chongqing 404199, Peoples R China;[3]Otsuka Mat Sci & Technol Shanghai Co Ltd, Shanghai 200233, Peoples R China;[4]Guangxi Univ, Sch Chem & Chem Engn, Guangxi Key Lab Petrochem Resource Proc & Proc Int, Nanning 530004, Peoples R China

年份：2023

卷号：267

外文期刊名：CHEMICAL ENGINEERING SCIENCE

收录：;EI(收录号：20225013251816);WOS:【SCI-EXPANDED(收录号:WOS:000895697200001)】；

基金：This work was partially supported by the National Natural Science Foundation of China (Nos. 21978079 and 21878078) .

语种：英文

外文关键词：Rubber; Rubber nanocomposites; Tensile performance; Viscoelastic properties; Molecular dynamics simulation

摘要：Understanding the relationship between the macro-properties and microstructure of rubber and rubber nanocomposites (RNCs) is crucial for the design and optimization of relevant rubber composite products. Herein, we explore the mechanical and viscoelastic properties of rubber and RNCs filled with silica nanoparticles by using atomistic molecular dynamics simulation. It is found that increasing cross-linking density can greatly enhance the tensile performance of pure rubber, and reduce the permanent deformation and hysteresis loss. The addition of silica nanoparticles causes significant changes in the sta -tic distribution, movement, and bond orientation, and the Tg of RNCs increases by more than 6% when the volume fraction of NPs reaches 10%. At fixed volume fraction of NPs, decreasing the NP size can further enhance the mechanical properties of RNCs, and the maximum tensile stress can increase by 50%. In addi-tion, cross-linking in the RNCs can improve the viscoelastic properties, and more highly crosslinked RNCs present larger storage modulus and loss modulus, and smaller loss angle. This work gives an in-depth understanding of the effect of microstructure on the mechanical properties of RNCs.(c) 2022 Elsevier Ltd. All rights reserved.