Advanced Self-Healing Asphalt Reinforced by Graphene Structures: An Atomistic Insight

Abstract

Graphene can improve the self-healing properties of asphalt with high durability. However, the self-healing behaviors of graphene-modified asphalt nanocomposite and the role of incorporated graphene are still unclear at this stage. In this study, the self-healing properties of pure asphalt and graphene-modified asphalt are investigated through molecular dynamics simulations. Asphalt bulks with two crack widths and locations for graphene are introduced, and the molecular interactions among asphalt components and the graphene sheet are analyzed. The results show that the location of graphene significantly affects the self-healing behaviors of asphalt. Graphene near the crack surface can greatly accelerate the self-healing process by interacting with the aromatic molecules through π-π stacking, while graphene at the top area of the crack tip has a minor impact on the process. The self-healing process of asphalt goes through the reorientation of asphaltene, polar aromatic, and naphthene aromatic molecules, and the bridging of saturate molecules between crack surfaces. This in-depth understanding of the self-healing mechanism contributes to the knowledge of the enhancement for self-healing properties, which will help to develop durable asphalt pavements.