Molecular simulation of self-healing behavior of asphalt under different crack damage and healing temperature

被引：0

作者：

Zhao Y. ^{[1
,2
]}

Yang Z. ^{[3
]}

Zhang X. ^{[4
]}

Wang G. ^{[4
]}

Yang X. ^{[5
]}

机构：

[1] National & Local Joint Engineering Laboratory of Traffic Civil Engineering Materials, Chongqing Jiaotong University, Chongqing

[2] School of Materials Science and Engineering, Chongqing Jiaotong University, Chongqing

[3] School of Civil Engineering, Chongqing Jiaotong University, Chongqing

[4] CSCEC Road and Bridge Group Co., Ltd., Hebei, Shijiazhuang

[5] School of Transportation Science and Engineering, Harbin Institute of Technology, Heilongjiang, Harbin

来源：

Huagong Jinzhan/Chemical Industry and Engineering Progress | 2023年 / 42卷 / 06期

关键词：

asphalt; cohesive energy density; diffusion; kinetic modeling; molecular simulation;

D O I：

10.16085/j.issn.1000-6613.2022-1520

中图分类号：

学科分类号：

摘要：

In order to study the self-healing behavior of asphalt under different crack damage and healing temperatures, a molecular model of asphalt was constructed by molecular dynamics (MD) method to simulate the self-healing behavior of 70# matrix asphalt under the conditions of temperature 313—333K and crack width 10—50Å. The rationality of the asphalt molecular model was verified from the density of asphalt molecular model, radial distribution function, glass transition temperature, cohesive energy density and solubility parameters. The self-healing ability of asphalt molecular model was evaluated qualitatively (density and mean square displacement) and quantitatively (diffusion coefficient, cohesive energy density and free volume fraction). The results showed that when the self-healing temperature was 313—333K, the cohesive energy density of the healing models with different crack widths fluctuated in the range of 0.2%—3%, indicating that the self-healing of asphalt molecules was insensitive to the temperature change in this temperature range. When the crack width of asphalt molecular model was 30Å, the healing process of the model was obvious and the healing effect was also the best. It was recommended to use 30Å as the crack width of 70# matrix asphalt healing model. © 2023 Chemical Industry Press. All rights reserved.

引用

页码：3147 / 3156

页数：9

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