A molecular dynamics simulation study on the recovery performance of aged asphalt binder by waste vegetable oil rejuvenators

Li, Bo, Han, Jihong, Wei, Dingbang, Ji, Haidong, Yao, Tengfei, Wang, Haopeng ORCID: 0000-0002-5008-7322, Han, Jie and Zhang, Yunpeng (2024) A molecular dynamics simulation study on the recovery performance of aged asphalt binder by waste vegetable oil rejuvenators. Journal of Cleaner Production, 442. p. 140796.

Text JCLP Jihong 2024 .docx - Author Accepted Manuscript Available under License Creative Commons Attribution. Download (8MB)

Abstract

This study employed molecular dynamics to simulate the recovery performance of a waste vegetable oil rejuvenator on aged asphalt binder. The model's accuracy was verified through density and glass transition temperature (Tg) calculations. The Radial Distribution Function (RDF) was utilized to assess the aggregation state of different asphalt binder components. The impact of the waste vegetable oil rejuvenator on asphalt binder microstructure was evaluated using cohesive energy density (CED), relative concentration, mean square displacement (MSD), radius of gyration (Rg), and free volume amount. Changes in functional groups of the aged and recycled asphalt binder samples were analyzed using Fourier transform infrared spectroscopy (FT-IR). Results indicate that the rejuvenator significantly influences the dispersion of SARA components. Improved compatibility between aged and virgin asphalt binders is achieved through increased activity of asphaltenes and resins. The incorporation of rejuvenators into asphalt binder mildly counters the aggregation of asphalt binder molecular structure, mitigates the negative effects of aging, and restores asphalt binder structure. The rejuvenator, enriched with polar groups as per FT-IR tests, increases the proportion of polar groups in the recycled asphalt binder. The recycled asphalt binder exhibits a higher proportion of polar molecules, and the rejuvenator reacts with the polar molecules in the asphalt binder at high temperatures.

Item Type:	Article
Divisions:	Faculty of Science and Engineering > School of Engineering
Depositing User:	Symplectic Admin
Date Deposited:	29 Feb 2024 09:22
Last Modified:	29 Feb 2024 09:22
DOI:	10.1016/j.jclepro.2024.140796
Related URLs:	Publisher
URI:	https://livrepository.liverpool.ac.uk/id/eprint/3178994