Research Progress and Prospect of Molecular Dynamics of Asphalt Systems
HE Liang1, LI Guannan2, ZHENG Yufeng1, Alessio Alexiadis3, Jan Valentin4, Karol J Kowalski5
1 National and Local Joint Engineering Laboratory of Traffic Civil Engineering Materials, Chongqing Jiaotong University, Chongqing 400074, China 2 School of Transportation Science and Engineering, Harbin Institute of Technology, Harbin 150090, China 3 School of Chemical Engineering, University of Birmingham, Birmingham B15 2TT, United Kingdom 4 Faculty of Civil Engineering, Czech Technical University in Prague, Prague 166 29, Czech Republic 5 Faculty of Civil Engineering, Warsaw University of Technology, Warsaw 00-637, Poland
Abstract: With the rapid development of China road engineering, asphalt concrete has been widely used in road engineering. In recent years, the research on asphalt materials is not limited to macroscopic performance experiments, but also extended to mesoscopic and microscopic scale to develop multiscale research. The molecular dynamics is a kind of microscopic research methods which is carry out the integral algorithm under different conditions to track molecular trajectories of research objects. Molecular dynamics was widely used in bitumen material design and microscopic mechanism research in molecular scale. The advantage is deeply explained the phenomenon and properties of asphalt system from the aspect of molecular motion. Therefore, many scholars study bitumen system by combining macroscopic test and molecular dynamics simulation, which will promote the development of asphalt materials. In this paper, molecular dynamics of bitumen system was comprehensively analyzed, general equilibrium steps of bitumen molecular dynamics model were constructed. The effectiveness of bitumen molecular dynamics model was verified by density, glass transition temperature, viscosity and solubility parameters. The nano-aggregation, self-repair, modification, aging, interfacial adhesion mechanisms of bitumen researchs based on molecular dynamics were comprehensively analyzed. The results show that the molecular dynamics method of bitumen materials was in early exploration stage, but the development potential is significant. Research on the dynamic behavior of bitumen components molecules by molecular dynamics method can reveal time-dependent molecular motion law that the normal test cannot be observed, predict bitumen macroscopic properties, target on bitumen molecular structures to put forward the improve measurement of bitumen road performance, promote the development of asphalt pavement multi-scale experimental simulation and lay the foundation for asphalt materials genome research.
作者简介: 何亮,重庆交通大学土木工程学院副教授、博士研究生导师,重庆市巴渝学者青年学者。2006年7月毕业于北京交通大学电子信息工程学院,2013年6月在东南大学交通学院交通运输工程专业取得博士学位,2014—2016年在长安大学与英国诺丁汉大学进行博士后研究工作。2016年2月回国后,入选重庆交通大学首批土木新星人才项目,是英国皇家学会牛顿基金获得者,主持政府间国际合作项目3项,国家自然科学基金两项。近年来,在道路工程材料领域发表论文近50篇,包括 Construction and Building Materials、《中国公路学报》《交通运输工程学报》《建筑材料学报》等期刊。
引用本文:
何亮, 李冠男, 郑雨丰, Alessio Alexiadis, Jan Valentin, Karol J Kowalski. 沥青体系的分子动力学研究进展及展望[J]. 材料导报, 2020, 34(19): 19083-19093.
HE Liang, LI Guannan, ZHENG Yufeng, Alessio Alexiadis, Jan Valentin, Karol J Kowalski. Research Progress and Prospect of Molecular Dynamics of Asphalt Systems. Materials Reports, 2020, 34(19): 19083-19093.
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2020, Vol. 34 
