Molecular Dynamics Simulation to Predict Virgin Bitumen Structural Properties

Bitumen, which is crucial to road and asphalt construction, significantly impacts the long-term viability and performance of transportation infrastructure. Understanding bitumen’s intricate molecular composition and behavior is crucial to improving its properties and developing practical materials and methods. Molecular dynamics simulations (MDS) have recently become popular as a powerful method of molecular-level study of bitumen. The article's study describes MD simulations' applications and advanced features regarding three types of bitumen: AAA-1, AAK-1, and AAM-1. It discusses the interactions between molecules, the behavior of phases, the mechanical properties of bitumen, and the effects of temperature. The review's conclusion states that the potential of MDS to facilitate further advances in the study of bitumen is evident; this will lead to an enhanced understanding of the material and improved bitumen products and infrastructure.