Study on Adhesion Property and Moisture Effect between SBS Modified Asphalt Binder and Aggregate Using Molecular Dynamics Simulation

In this project, the adhesion property and moisture effect between styrene–butadiene–styrene (SBS) modified asphalt binder and aggregate were studied to reveal their interface adhesion mechanism. The influence of SBS contents on adhesion property and moisture effect between binder and aggregate phases were investigated using molecular dynamics simulation. Moreover, the double-layer adhesion models of asphalt binder–aggregate and triple-layer debonding models of asphalt binder–water–aggregate were constructed and equilibrated, and the adhesion property and the moisture effect were evaluated numerically. The results indicate that the built SBS-modified asphalt binder models show favorable reliability in representing the real one. The variation in the work of adhesion for SBS modified asphalt binder–quartz is not remarkable with the SBS content when its content is relatively low. However, the work of adhesion decreased significantly when the content was higher than 6 wt.%, which is consistent with the experimental results. The adhesion between SBS-modified asphalt binder and quartz is derived from Van der Waals energy. The modified asphalt binder with a high SBS modifier content (8 wt.% and 10 wt.%) shows much better moisture resistance (nearly 30% improved) than the unmodified asphalt binder from the work of debonding results. According to the Energy Ratio (ER) values, asphalt binders with high SBS content (8 wt.% and 10 wt.%) present a good moisture resistance performance. Therefore, the SBS content should be seriously selected by considering the dry and wet conditions that are used to balance the adhesion property and debonding properties. The content of 4 wt.% may be the optimal content under the dry adhesion and moisture resistance.