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Rejuvenation effect evaluation and mechanism analysis of rejuvenators on aged asphalt using molecular simulation

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Abstract

In this study, the effects of aromatic and long-chain rejuvenators on aged asphalt were investigated by molecular simulations. Asphalt integration and free diffusion models were constructed for simulating asphalt properties and aggregation behavior. The viscosity, cohesive energy density (CED), and glassy transition temperature (Tg) were calculated from the dynamics simulations. The structural and energetic changes in asphalt colloids were investigated by radial distribution function (RDF) of aromatic components and interaction energy of asphalt colloid. The results of integrated model simulations of asphalt properties show that both rejuvenators restored viscosity, CED, and Tg of asphalt. The long-chain rejuvenator as a complement to the asphalt oil fraction is significant in improving the properties of aged asphalt. The RDF results indicate that the aromatic rejuvenator has a dispersing effect on the aggregation of asphalt aromatic components. The interaction energy results reveal that the rejuvenator contributes to a new microstructure instead of restoring the aggregate.

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Acknowledgements

The authors are grateful for the funding provided by the National Natural Science Foundation of China (51508223), the Jilin Province Natural Science Foundation of China (20160101267JC), and the Science and Technology Research and Development Project of China Communications Construction Company (3R2210135424).

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Authors and Affiliations

  1. College of Construction Engineering, Jilin University, Changchun, China

    Chonghao Bao, Yan Xu, Lei Nie & Xue Yang

  2. College of Transportation, Jilin University, Changchun, China

    Chuanfeng Zheng

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  1. Chonghao Bao
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  2. Yan Xu
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Correspondence to Chuanfeng Zheng.

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Bao, C., Xu, Y., Zheng, C. et al. Rejuvenation effect evaluation and mechanism analysis of rejuvenators on aged asphalt using molecular simulation. Mater Struct 55, 52 (2022). https://doi.org/10.1617/s11527-022-01890-3

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