Evaluation of styrene butadiene rubber asphalt modification mechanism and adhesion effect based on molecular simulation

Abstract

Recycled rubber materials represent an environmentally sustainable option as asphalt modifiers. This research delves into the modification effects of Styrene Butadiene Rubber (SBR) asphalt at varying SBR content levels, employing a blend of molecular simulation techniques and laboratory experimentation. A comprehensive molecular model of SBR-modified asphalt is established, and molecular dynamics simulations are executed to scrutinize the thermodynamic attributes, dipole moments, mechanical characteristics, and adhesion properties inherent to SBR asphalt. The outcomes of this inquiry reveal that SBR exhibits notable compatibility with a majority of asphalt molecules, as evidenced by their dipole moments. The introduction of SBR into the asphalt matrix results in the adsorption of a substantial quantity of lightweight components, fostering the formation of a cross-linked network that bolsters the asphalt's resilience against external deformation forces. Furthermore, in terms of adhesion work, asphalt demonstrates heightened affinity with alkaline aggregates, and SBR serves to augment van der Waals interactions at the asphalt-aggregate interface, thereby amplifying interfacial bonding strength. However, when the content of SBR reaches 30%, some SBR molecules will be aggregated in the asphalt, which will lead to phase separation and affect the stability of the colloid. Therefore, it is recommended that the content of SBR should be limited to about 20% in practical engineering applications. In this work, the modification mechanism of SBR was analyzed at the molecular scale and verified experimentally, and the results provide a theoretical basis for the rational use of recycled SBR powder in asphalt applications.