安徽大学学报（自然科学版）2024，Vol.48Issue(4)：73-79,7.DOI:10.3969/j.issn.1000-2162.2024.04.012
模拟研究链间非共价键作用对聚合物自修复行为的影响
Simulation study on the effect of non-covalent bonding between chains on the self-healing behavior of polymer
摘要
Abstract
The effect of interchain non-covalent bonding interactions on the self-healing properties of polymeric materials was investigated using molecular dynamics simulation methods.The results showed that the glass transition temperature as well as the mechanical property of the system increased with the increase in the strength of the non-covalent bonding interactions.For the self-healing performance of the system,there was a threshold value for the strength of the noncovalent bonding interaction,and the self-healing efficiency of the system showed a tendency of increasing and then decreasing with the enhancement of the interchain noncovalent bonding interaction.In addition,the self-healing efficiency of the system was positively correlated with both healing temperature and healing time.The simulation results would provide ideas and theoretical guidance for the design and preparation of self-healing polymer materials.关键词
聚合物/非共价键作用/分子动力学模拟/力学性能/自修复Key words
polymer/non-covalent bonding/molecular dynamics simulation/mechanical property/self-healing分类
化学化工引用本文复制引用
刘超,吴尚,徐帅帅,伍斌,夏茹,钱家盛,陈鹏..模拟研究链间非共价键作用对聚合物自修复行为的影响[J].安徽大学学报（自然科学版）,2024,48(4):73-79,7.基金项目
国家自然科学基金面上项目(22378001) （22378001）
安徽省自然科学基金面上项目(2018085ME153) （2018085ME153）
