Asphalt rejuvenation technology is an effective method to recycle reclaimed asphalt pavement (RAP) for the production of high-quality recycled asphalt mixtures. This approach contributes to mitigating environmental pollution and facilitating resource recycling. In this study, the impact of rejuvenator molecules on the rejuvenation process was explored by utilizing theoretical models and dynamics simulations. Free volume theory models were used to calculate the diffusion coefficient, while molecular dynamics (MD) simulations revealed the internal energy changes during diffusion. Molecules with high interaction with aged asphalt are easier to reach the homogeneous state in diffusion systems under higher temperatures. The quantification of blending by Fick's 2nd law suggests that the blending process consists of three stages: an intense diffusion phase, a stabilization phase, and a homogeneous state phase. The time taken to reach the homogeneous stage depends on the chemical structure of the rejuvenators and the temperature. This study elucidates the molecular-scale mechanism of RAP rejuvenation and provides a roadmap for improving environmentally friendly RAP rejuvenation technology.

沥青再生技术是再生再生沥青路面(RAP)再生生产优质再生沥青混合料的有效方法。这种方法有助于减轻环境污染和促进资源回收利用。在这项研究中，利用理论模型和动力学模拟探索了再生剂分子对再生过程的影响。自由体积理论模型用于计算扩散系数，而分子动力学 (MD) 模拟揭示了扩散过程中的内部能量变化。与老化沥青高度相互作用的分子在较高温度下更容易在扩散系统中达到均匀状态。菲克第二定律对混合的量化表明混合过程由三个阶段组成：强烈扩散阶段、稳定阶段和均匀状态阶段。达到均质阶段所需的时间取决于再生剂的化学结构和温度。本研究阐明了 RAP 再生的分子尺度机制，并为改进环境友好的 RAP 再生技术提供了路线图。