Self-healing behavior of recycled asphalt prepared by residue oil of straw liquefaction based on molecular dynamics simulation

In order to accurately describe the self-healing behavior of recycled asphalt prepared by residue oil of straw liquefaction (ROSL), five ROSL contents of 2%, 4%, 6%, 10%, and 15% were added to the aged asphalt to represent the recycled asphalt and are denoted as ROSL-2, ROSL-4, ROSL-6, ROSL-10, and ROSL-15, respectively. Molecular simulation was used to simulate the healing behavior of nano cracks. A three-layer system was established in which the two sides are asphalt molecules and the middle is a 30 Å vacuum layer. The vacuum layer represented the internal nano cracks in the asphalt. The results show that the disappearance of cracks during the self-healing process was the result of the combined effect of model volume compression and asphalt molecule stretching. Self-healing is mainly affected by the van der Waals forces between the molecules. The self-healing rate of recycled asphalt is closely related to the content of ROSL, the higher the ROSL content, the greater the diffusion coefficient, which is more conducive to asphalt self-healing. However, as the time for ROSL-10 and ROSL-15 to reach the equilibrium distribution of relative concentration and density stability is basically the same, and the diffusion coefficient of ROSL-10 is basically the same as that of virgin asphalt, the optimal content of the ROSL is recommended to be 10%.