摘要
为了探究不同温度下碳纳米管对丁腈橡胶力学性能的增强情况,采用分子动力学方法基于Materials Studio模拟软件,对不同工况温度下纯丁腈橡胶及碳纳米管/丁腈橡胶复合材料的力学性能、自由体积分数、分子扩散情况进行了建模及计算,并通过拔出行为模拟分析了碳纳米管与橡胶基体间的界面结合能.结果表明:加入碳纳米管后,随着温度的升高,由于界面结合能较为稳定,不同温度下橡胶的力学性能得到提升且在100℃以上高温时提升效果更加明显.
In order to investigate the enhancing effect of mechanical properties by carbon nanotubes on nitrile-butadiene rubber(NBR)at different temperatures,the mechanical properties,fractional free volume(FFV)and molecular diffusion of pure NBR and carbon nanotubes(CNTs)/NBR composite at different working temperatures were modeled and calculated by molecular dynamics method based on Materials Studio simulation software,and the interfacial binding energy between CNTs and rubber matrix was analyzed by simulating the pull-out behaviour.The results show that the mechanical properties of rubber at different temperatures are improved after the addition of CNTs,due to the stable interfacial binding energy under increasing temperature,and the improvement effect is more obvious at the temperatures higher than 100℃.
作者
纪龙成
陈立佳
王世杰
JI Long-cheng;CHEN Li-jia;WANG Shi-jie(School of Materials Science and Engineering,Shenyang University of Technology,Shenyang 110870,China;School of Mechanical Engineering,Shenyang University of Technology,Shenyang 110870,China)
出处
《沈阳工业大学学报》
CAS
北大核心
2023年第3期291-297,共7页
Journal of Shenyang University of Technology
基金
中央引导地方科技发展专项资金项目(2020JH6/10500016)。
关键词
丁腈橡胶
碳纳米管
分子动力学
力学性能
自由体积分数
扩散系数
拔出行为
界面结合能
nitrile-butadiene rubber
carbon nanotube
molecular dynamics
mechanical property
fractional free volume
diffusion coefficient
pull-out behaviour
interfacial binding energy
