生物油再生沥青-集料界面分子模拟研究  

Molecular simulation on interface between bio-oil recycled asphalt and aggregate

作　　者：叶群山[1,2] 羊治宇 周剑波 YE Qunshan;YANG Zhiyu;ZHOU Jianbo(Key Laboratory of Road Structure and Material of Communication Industry,Changsha University of Science&Technology,Changsha 410114,China;School of Traffic and Transportation Engineering,Changsha University of Science&Technology,Changsha 410114,China)

机构地区：[1]长沙理工大学道路结构与材料交通行业重点实验室,湖南长沙410114 [2]长沙理工大学交通运输工程学院,湖南长沙410114

出　　处：《交通科学与工程》2023年第4期39-46,共8页Journal of Transport Science and Engineering

基　　金：湖南省教育厅科学研究重点项目(20A012);长沙市科技计划项目(kq2014107);交通运输部道路结构和材料重点实验室计划项目(kfj140301)。

摘　　要：为研究生物再生剂对老化沥青-集料之间相互作用的影响,基于分子动力学,分别建立基于干燥和潮湿两种工况的生物油再生沥青-弱碱性集料的界面模型,分析沥青组分在集料表面的空间分布,并计算其界面处的相互作用能。研究结果表明:3种再生剂中,腰果壳油解除沥青质分子团聚的效果最好。3种再生剂均会削弱老化沥青和集料之间的范德瓦尔斯力,腰果壳油和妥尔油通过在集料表面形成氢键,提高老化沥青的黏附性,降低老化沥青的湿度敏感性。选择沥青再生剂时,应考虑集料和再生剂之间的氢键作用,该作用有助于提高再生沥青和集料的黏附性。In order to study the effect of biological regenerant on the interaction between aged asphalt and aggregate,based on molecular dynamics,the interface models of bio-oil recycled asphalt-weak alkaline aggregate under dry and wet conditions were established respectively.The interaction energy at the interface was calculated.The results show that,among the three bio-oil rejuvenators,cashew nut shell oil has the best effect on relieving the agglomeration of asphaltene molecules.The van der Waals force between aged asphalt and aggregate will be weakened by three kinds of regenerant.forming hydrogen bonds on the surface of aggregate.The hydrogen bonds on the surface of aggregate can be formed by cashew nut shell oil and tall oil,improving the adhesion of aged asphalt and and reducing the humidity sensitivity of aged asphalt.When the asphalt regenerant will be selected,the hydrogen bonding between aggregate and regenerant should be considered,which is helpful to improve the adhesion between recycled asphalt and aggregate.

关 键 词：分子动力学模拟 生物油 再生沥青 界面作用 黏附性 

分 类 号：U414[交通运输工程—道路与铁道工程]