分子动力学的不同沥青分子自愈机制分析  

Analysis of self-healing mechanism of different asphalt molecules based on molecular dynamics

作　　者：袁燕[1] 陈宏宇 王叶飞 徐松 薛斌 YUAN Yan;CHEN Hongyu;WANG Yefei;XU Song;XUE Bin(College of Civil Engineering,Fuzhou University,Fuzhou,Fujian 350108,China;College of Civil Engineering and Transportation,South China University of Technology Guangzhou,Guangdong 510641,China)

机构地区：[1]福州大学土木工程学院,福建福州350108 [2]华南理工大学土木与交通学院,广东广州510641

出　　处：《福州大学学报（自然科学版）》2024年第3期307-315,共9页Journal of Fuzhou University(Natural Science Edition)

基　　金：国家自然科学基金资助项目(52278446)。

摘　　要：为探究沥青材料的自愈合性能,基于分子动力学模拟,利用Materials Studio软件建立基质沥青、SBS(styrene-butadiene-styrene)改性沥青、老化沥青以及老化SBS改性沥青的三维微裂缝模型;通过密度分析、相对浓度分布以及自由体积分数等方法,分析自愈合模型的愈合情况.结果表明,SBS改性剂对沥青的自愈有一定的促进作用,老化对沥青的自愈有一定的抑制作用,4种沥青的自愈潜力从大到小依次为SBS改性沥青、基质沥青、老化后SBS改性沥青以及老化沥青.In order to investigate the self-healing performance of asphalt materials,this paper establishes three-dimensional microcrack models of matrix asphalt,styrene-butadiene-styrene(SBS)modified asphalt,aged asphalt and aged SBS modified asphalt based on molecular dynamics simulations using Materials Studio software,and analyzes the healing of the self-healing models by density analysis,relative concentration distribution and free volume fraction.The results show that SBS modifier has a certain promotion effect on the self-healing of asphalt,aging has a certain inhibition effect on the selfhealing of asphalt,and the self-healing potential of the four asphalts are SBS modified asphalt,matrix asphalt,aged SBS modified asphalt and aged asphalt in descending order.

关 键 词：沥青胶结料 分子动力学 自愈合 扩散系数 

分 类 号：U416.217[交通运输工程—道路与铁道工程]