Molecular model and its evolution during secondary regeneration of asphalt based on molecular dynamics

With the use of recycled asphalt pavement, numerous recycled pavements will suffer from damages which needs to be regenerated for the second time (i.e. secondary regeneration). The mechanism and impact of secondary regeneration may diverge from those observed during primary regeneration. To study the aging and regeneration mechanism of secondary regenerated asphalt, the molecule models of regenerant and asphalts under different aging states were established through the molecular dynamics (MD). The double-layer diffusion models were constructed to examine the fusion behavior of new and aged asphalts. Based on this, the dynamic viscosity, rotational viscosity, bulk modulus, and shear modulus of secondary regenerated asphalt were predicted. The findings indicate that the established molecular models have a strong correlation with real asphalt molecules. During secondary regeneration, the deepening of asphalt aging reduces the fusion velocity and efficiency between aged and new asphalts. The introduction of regenerant can enhance the diffusion velocity between the aged and new asphalts, yet it does not necessarily improve their fusion degree. During the process of secondary regeneration, the shear modulus of secondary aged asphalt can be effectively restored by adding regenerant, but the recovery of dynamic viscosity, rotational viscosity and bulk modulus presents poor trends when compared to the primary regeneration. © 2024 Elsevier B.V.