| Issue |
E3S Web of Conf.
Volume 406, 2023
2023 9th International Conference on Energy Materials and Environment Engineering (ICEMEE 2023)
|
|
|---|---|---|
| Article Number | 01037 | |
| Number of page(s) | 6 | |
| Section | Biological Device and Material Structure Analysis | |
| DOI | https://doi.org/10.1051/e3sconf/202340601037 | |
| Published online | 31 July 2023 | |
Research Based on the Selection of Regenerative Agents Based on Molecular Simulation New-Old Asphalt Diffusion Behavior
1 Guidong Highway Development Center of Guangxi Zhuang Autonomous Region, Guangxi Zhuang Autonomous Region, China
2 Chongqing Jiaotong University, School of Civil Engineering, Chongqing, China
3 Chongqing Jiaotong University, School of Civil Engineering, Chongqing, China
a e-mail: yigq@163.com
b e-mail: 622200951047@mails.cqjtu.edu.cn
* Corresponding author: gujianyi@live.com
In order to understand the new-old asphalt diffusion behavior, use the Materials Studio (MS) molecular dynamic simulation software to build a matrix asphalt and aging asphalt molecular model based on the average molecular model of the asphalt, and select the appropriate force field and potential energy function. As well as parameters such as boundary conditions, set up as-phalt-regenerative dot-shaped contact models and laminar contact models. From the perspective of molecular perspectives, the diffusion behavior between the old and new asphalt and the re-generative agent is analyzed. The promotion effect of the asphalt diffusion behavior, the simulation results show that the asphalt's internal diffusion process is mutual, and the promotion effect of aromatherapy regeneratives on the spread of new and old asphalt under the same conditions is better than chain regenerative agents and waste oil regeneration agents.
© The Authors, published by EDP Sciences, 2023
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