泡沫沥青冷再生胶结料界面特性分子动力学研究

王家伟, 郭乃胜

doi:10.16411/j.cnki.issn1006-7736.2024.03.016

大连海事大学学报 >

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

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

泡沫沥青冷再生胶结料界面特性分子动力学研究

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（大连海事大学交通运输工程学院，大连 116026）

王家伟（1997 — ），男，硕士生，研究方向：沥青与沥青混合料。郭乃胜*（1978 — ），男，博士，教授，博士生导师， E-mail：naishengguo@126.com

网络出版日期: 2024-04-24

基金资助

国家自然科学基金资助项目（51308084）；中央高校基本科研业务费专项资金资助项目（3132017029）；大连市科技创新基金项目（2020JJ26SN062）

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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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摘要

为探究泡沫沥青含水率、水泥/石灰、沥青老化程度与温度等因素对泡沫沥青冷再生胶结料（由水泥/石灰、老化沥青和泡沫沥青组成，以下简称胶结料）界面特性的影响，采用分子动力学方法，构建不同类型的胶结料分子模型，以界面能、相互作用能、内聚能密度（CED）与水分子径向分布函数（RDF）为计算表征指标，定量分析胶结料中各组分材料之间的界面特性，进而揭示各组分材料相互作用的微观机理。研究结果表明：在其他组分材料特性相同条件下，包含长期老化沥青（LTAA）的胶结料较包含短期老化沥青（STAA）的胶结料具有较低的界面能、相互作用能、CED和水分子RDF；胶结料中的泡沫沥青含水率为2.4%时，胶结料界面能、相互作用能、CED和水分子RDF最高，胶结料中的泡沫沥青含水率为1.8%时，胶结料界面能、相互作用能、CED和水分子RDF最低；与采用CH表征的石灰相比，采用CSH表征水泥的胶结料具有较高的界面能和相互作用能，但其CED和水分子RDF较低；在温度为303 K~308 K时，含STAA的胶结料与含LTAA的胶结料具有较高的界面能、相互作用能，但在温度为313 K~318 K时，相应结果则反之，而温度升高时，胶结料的CED基本保持不变；与含CH的胶结料相比，含CSH的胶结料具有较高的界面能、相互作用能，并随着温度的增加逐渐升高，并在318 K时达到最高值，但两者CED均保持稳定；随着温度的增加，不同胶结料的水分子RDF均随之上升，水分子大量向端部集中，对胶结料界面特性造成不良影响。

关键词： 道路工程; 泡沫沥青冷再生技术; 分子动力学; 微观机理; 界面特性

本文引用格式

王家伟, 郭乃胜 . 泡沫沥青冷再生胶结料界面特性分子动力学研究[J]. 大连海事大学学报, 2024 , 50(3) : 143 -156 . DOI: 10.16411/j.cnki.issn1006-7736.2024.03.016

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

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