塑料科技2025，Vol.53Issue(5)：29-33,5.DOI:10.15925/j.cnki.issn1005-3360.2025.05.006
分子动力学模拟研究老化橡胶密封材料的微观结构与力学性能
Molecular Dynamics Simulation Study on Microstructure and Mechanical Properties of Aged Rubber Sealing Materials
摘要
Abstract
The molecular dynamics simulation method was employed to investigate the influence of microstructural changes in rubber sealing materials during the aging process on their mechanical properties.A coarse-grained model simulating the rubber cross-linking network structure was established,and two aging modes,namely cross-linking point fracture and molecular chain fracture,were designed.The locations of aging fractures(uniform,internal and surface)were examined,and the effects of aging bond breaking on the material's compression deformation recovery rate,glass transition temperature,100%tensile stress and elastic modulus were studied.The results show that chemical bond breaking caused by aging leads to a decrease in the rubber system's compression deformation recovery rate,glass transition temperature,100%tensile stress and elastic modulus.The simulation study found that chemical bond breaking at the cross-linking points has a particularly significant impact on the physical properties of rubber materials.The simulation results reveal that the location where aging occurs has an important influence on the performance of rubber sealing materials.关键词
分子动力学模拟/橡胶密封材料/老化/微观结构/力学性能Key words
Molecular dynamics simulation/Rubber sealing materials/Aging/Microstructure/Mechanical property分类
化学工程引用本文复制引用
张洁,缪春辉,孔明,陈剑,赵骞,孙思嘉..分子动力学模拟研究老化橡胶密封材料的微观结构与力学性能[J].塑料科技,2025,53(5):29-33,5.基金项目
国网安徽省电力有限公司科技项目(521205220003) （521205220003）
