Research Based on the Selection of Regenerative Agents Based on Molecular Simulation New-Old Asphalt Diffusion Behavior

Abstract

In order to understand the new-old asphalt diffusion behavior, use the Materials Studio (MS) molecular dynamic simulation software to build a matrix asphalt and aging asphalt molecular model based on the average molecular model of the asphalt, and select the appropriate force field and potential energy function. As well as parameters such as boundary conditions, set up as-phalt-regenerative dot-shaped contact models and laminar contact models. From the perspective of molecular perspectives, the diffusion behavior between the old and new asphalt and the re-generative agent is analyzed. The promotion effect of the asphalt diffusion behavior, the simulation results show that the asphalt's internal diffusion process is mutual, and the promotion effect of aromatherapy regeneratives on the spread of new and old asphalt under the same conditions is better than chain regenerative agents and waste oil regeneration agents.