Reconstruction of graphene by DMSO solvent treatment and analysis of its modified asphalt properties based on molecular dynamics simulation

To investigate the effects of DMSO solvent on the dispersion of graphene in asphalt and to reveal the dispersion behavior of graphene in asphalt with different treatments, the dispersion behavior of graphene in asphalt with DMSO solvent was analyzed based on molecular dynamics simulation in this paper. Results indicate that the adsorption of DMSO solvent on graphene layers causes graphene structure to be bent and folded, and it is exfoliated in the direction parallel to the layer direction where the interaction energy between the neighbouring layers of graphene weakens. Following DMSO solvent treatment, graphene is converted from multiple layers to fewer layers, which increases the interaction zone between graphene and asphalt molecules and enhances the dispersion of graphene in asphalt. Graphene treated with DMSO solvent has stronger adsorption of light components in asphalt, compressing the large free-volume spaces and filling the small free-volume spaces as aggregates at the same time.