Molecular dynamics study of interfacial properties of cold reclaimed foam asphalt binder

WANG Jiawei, GUO Naisheng

doi:10.16411/j.cnki.issn1006-7736.2024.03.016

Journal of Dalian Maritime University >

2024 , Vol. 50 >Issue 3: 143 - 156

DOI: https://doi.org/10.16411/j.cnki.issn1006-7736.2024.03.016

Molecular dynamics study of interfacial properties of cold reclaimed foam asphalt binder

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(College of Transportation Engineering, Dalian Maritime University, Dalian 116026, China)

Online published: 2024-04-24

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Abstract

In order to explore the influence of factors such as water content of foamed asphalt, cement/lime, asphalt aging degree and temperature on the interface characteristics of foamed asphalt cold recycling binder (composed of cement/lime, aging asphalt and foamed asphalt, hereinafter referred to as binder), molecular dynamics method was used to build different types of binder molecular models, and the interface energy, interaction energy, cohesive energy density (CED) and water molecule radial distribution function (RDF) were used as the calculation indicators to quantitatively analyze the interface characteristics of each component material in the binder, thus revealing the microscopic mechanism of interaction between each component material. Results show that, in terms of the same material properties of other components, the binder with long-term aging asphalt (LTAA) exhibits lower interfacial energy, interaction energy, CED and water molecules RDF compared to binder with short-term aging asphalt (STAA). When the moisture content of foamed asphalt in binder is 2.4%, the interfacial energy, interaction energy, CED and water molecular RDF of binder are the highest, and when the moisture content of foamed asphalt in binder is 1.8%, the interfacial energy, interaction energy, CED and water molecular RDF of binder are the lowest. Compared with lime characterized by CH, cement binder characterized by CSH has higher interfacial energy and interaction energy, but its CED and water molecule RDF are lower. When the temperature is 303 K~308 K, the binder containing STAA has higher interface energy and interaction energy than the binder containing LTAA, but that is opposite when the temperature is 313 K~318 K, and the CED of the binder basically remains stabilization as the temperature increases. Compared with the cementing material containing CH, the cementing material containing CSH has higher interfacial energy and interaction energy, which gradually increases with the increase of temperature and reach the highest value at 318 K, however, the CED of the both remains stabilization. As the temperature increases, the RDF of water molecules in different binders also increases, and a large number of water molecules concentrate towards the ends, which has a negative impact on the interfacial characteristics of binders.

Key words： road engineering；foamed asphalt cold regeneration technology；molecular dynamics；micro-mechanism；interface characteristic

Cite this article

WANG Jiawei, GUO Naisheng . Molecular dynamics study of interfacial properties of cold reclaimed foam asphalt binder[J]. Journal of Dalian Maritime University, 2024 , 50(3) : 143 -156 . DOI: 10.16411/j.cnki.issn1006-7736.2024.03.016

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