| 沥青混合料分子模拟技术综述 |
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| 引用本文： | 汪海年,丁鹤洋,冯珀楠,邵林龙,屈鑫,尤占平.沥青混合料分子模拟技术综述[J].交通运输工程学报,2020,20(2):1-14. |
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| 作者姓名： | 汪海年 丁鹤洋 冯珀楠 邵林龙 屈鑫 尤占平 |
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| 作者单位： | 1.长安大学 公路学院，陕西 西安 7100642.密歇根理工大学土木与环境工程系, 密歇根 霍顿 MI4993 |
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| 摘 要： | 分析了沥青混合料分子模拟技术的基本原理、主要实现手段和模拟流程, 研究了沥青分子模型构建的2类主要方法, 总结了不同时期的沥青质结构模型与不同应用场合中的集料模型, 探讨了沥青扩散现象、外加剂对沥青性能的影响机理、沥青与再生剂的融合、沥青-集料的界面作用模拟影响因素以及水、沥青老化等因素对沥青-集料黏附性的影响等问题, 展望了沥青路面材料分子模拟技术的未来研究方向。研究结果表明: 分子模拟技术可以从微观角度探究道路工程材料的性能变化与内在机理, 为材料的精确设计和定量分析奠定基础; 分子组装法是目前沥青分子模型构建的重要思路, 能够有效表征沥青材料的物化和力学特性; 集料模型的构建思路主要是根据集料的化学成分来选择构建相关晶胞, 进而代表集料的宏观特性; 分子模拟技术动态展现了沥青的扩散过程, 体现了内部各组分的扩散速率; 利用分子模拟技术可以分析沥青自愈行为的过程, 并提出不同指标来表征了各个阶段的愈合速率; 借助分子模拟技术, 可以从微观角度解释和分析沥青内部组分和外加剂对沥青性能影响; 在沥青-再生剂融合研究中, 分子模拟技术可表征再生剂扩散深度、掺入时机与再生机理等问题; 在沥青-集料界面作用研究中, 分子模拟技术可表征材料的化学组成、加载模式、模型参数与界面接触等因素的影响; 水、温度与沥青的老化等因素将会对沥青-集料界面作用产生重要影响, 通过构建含水模型可将微观模拟与宏观试验联系起来。
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| 关 键 词： | 道路材料 沥青混合料 分子模拟技术 分子动力学 综述 |
| 收稿时间： | 2019-12-20 |
Advances on molecular simulation technique in asphalt mixture |
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| WANG Hai-nian,DING He-yang,FENG Po-nan,SHAO Lin-long,QU Xin,YOU Zhan-ping.Advances on molecular simulation technique in asphalt mixture[J].Journal of Traffic and Transportation Engineering,2020,20(2):1-14. |
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| Authors: | WANG Hai-nian DING He-yang FENG Po-nan SHAO Lin-long QU Xin YOU Zhan-ping |
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| Affiliation: | 1.School of Highway, Chang'an University, Xi'an 710064, Shaanxi, China2.Department of Civil and Environmental Engineering, Michigan Technological University, Houghton MI49931, Michigan, USA |
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| Abstract: | The basic principle, implementation method and simulation procedure of molecular simulation technique were analyzed.Two main methods of asphalt molecular model construction were researched.Asphaltene structure models in different periods and aggregate models in different occasions were summarized. The problems about asphalt diffusion process, modifier effect on asphalt performance, asphalt-rejuvenator integration, asphalt-aggregate interface simulation factors and adhesion properties were explored.The future research direction of molecular simulation technique in asphalt mixture was discussed. Research result shows that molecular simulation technique can explore the performance change and internal mechanism of road materials from micro-scale, laying the foundation for accurate design and quantitative analysis. Multiple components asphalt model is an important method for asphalt molecular model construction.The construction method characterizes the physical and chemical properties of asphalt. The main construction method for aggregate models is to select and build unit cell according to aggregate chemical composition, to represent the characteristics of aggregate in the macroscopic view.Molecular simulation technique shows the asphalt diffusion process and studies the internal components diffusion rate.Molecular simulation technique analyzes the process of asphalt self-healing behavior and proposes different indicators to characterize the healing rate of each stage. Molecular simulation technique can explain the influences of asphalt internal components and additives on asphalt performance from micro-scale.In terms of asphalt-rejuvenator fusion, molecular simulation technique can characterize diffusion depth, incorporation timing and rejuvenation theory. In terms of asphalt-aggregate interface, molecular simulation technique can characterize the influences of the factors such as chemical compositions, loading mode, model parameters and interface contact.The factors such as water, temperature and aged asphalt will have an important influence on the interface behavior. Moisture model can link microscopic simulation with macroscopic experiment. |
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