Experimental and Molecular Dynamics Investigation of the Rejuvenation Effect of Bio-Oils on Aged High-Penetration...

The deterioration of high-penetration asphalt pavements due to oxidative aging presents a significant challenge in highway maintenance. This study investigates the rejuvenation effect of three bio-oils, namely palm oil, soybean oil, and sunflower oil, on aged PEN 90 asphalt through an integrated approach combining experimental characterization and molecular dynamics (MD) simulations. Laboratory evaluations, including penetration, softening point, dynamic shear rheology (DSR), and Fourier Transform Infrared (FTIR) spectroscopy, were conducted to quantify the recovery of the physical, rheological, and chemical properties of aged high-penetration asphalt. MD simulations were conducted to provide insights into diffusion behavior and intermolecular interactions between bio-oil molecules and aged asphalt components. Experimental results show that bio-oils effectively restore the lost viscoelastic performance after long-term aging. An 8% dosage was determined as optimal, with rejuvenation efficiency decreasing in the order of SSO, SO, and PO. MD simulations clarify mechanisms by showing that soybean and palm oils have higher diffusion efficiency than sunflower oil, thus promoting the dispersion of asphaltene and resin. RDF shows that bio-oils enhance asphalt molecules' short-range order via hydrogen bonds and van der Waals forces, which improves compatibility.