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分子动力学的不同沥青分子自愈机制分析

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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.
Analysis of self-healing mechanism of different asphalt molecules based on molecular dynamics
In order to investigate the self-healing performance of asphalt materials,this paper establi-shes 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 self-healing 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.

asphalt bindermolecular dynamicsself-healingdiffusion coefficient

袁燕、陈宏宇、王叶飞、徐松、薛斌

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福州大学土木工程学院,福建 福州 350108

华南理工大学土木与交通学院,广东 广州 510641

沥青胶结料 分子动力学 自愈合 扩散系数

国家自然科学基金

52278446

2024

福州大学学报(自然科学版)
福州大学

福州大学学报(自然科学版)

CSTPCD北大核心
影响因子:0.35
ISSN:1000-2243
年,卷(期):2024.52(3)
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