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基于分子动力学的聚氨酯改性沥青自愈合行为研究

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文中采用分子动力学方法建立了基质沥青和PU改性沥青自愈合模型.通过密度、能量、温度,以及Z轴浓度曲线研究了 PU改性沥青的自愈合行为.通过扩散系数、自由体积分数和氢键分析了 PU对沥青自愈合的影响.结果表明:PU改性沥青的自愈合行为分为:能量获取、流动扩散、自愈合,以及分子平衡四个阶段.当温度相同时,PU对沥青的自愈合有促进作用.PU与沥青分子间氢键的形成,使愈合结束的模型强度更高.
Study on Self-healing Behavior of Polyurethane Modified Bitumen Based on Molecular Dynamics
The self-healing model of matrix asphalt and PU modified asphalt was established by molecu-lar dynamics method.The self-healing behavior of PU modified asphalt was studied by density,ener-gy,temperature and Z-axis concentration curves.The influence of PU on asphalt self-healing was ana-lyzed by diffusion coefficient,free volume fraction and hydrogen bond.The results show that the self-healing behavior of PU modified asphalt can be divided into four stages:energy acquisition,flow dif-fusion,self-healing and molecular balance.When the temperature is the same,PU can promote the self-healing of asphalt.Meanwhile,the formation of hydrogen bonds between PU and asphalt mole-cules makes the model with the end of healing stronger.

self-healingpolyurethane modified asphaltmolecular dynamicsdiffusion abilitynumer-ical simulation

夏广林、刘云

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河海大学道路与铁道工程研究所 南京 210098

自愈合 聚氨酯改性沥青 分子动力学 扩散能力 数值模拟

2024

武汉理工大学学报(交通科学与工程版)
武汉理工大学

武汉理工大学学报(交通科学与工程版)

CSTPCD
影响因子:0.462
ISSN:2095-3844
年,卷(期):2024.48(2)
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