Title of Paper:Shedding Light on the Rejuvenation Mechanism of Reactive Compounds in Aged SBS-Modified Asphalt through Molecular Dynamics and Quantum Chemical Simulations

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Date of Publication:2024-09-29

Journal:Journal of Materials in Civil Engineering

Volume:36

Issue:11

ISSN No.:0899-1561

Key Words:Asphalt; Hydroxyl groups; Methylene diphenyl diisocyanate; Molecular simulations; Quantum-chemical simulations; Rejuvenation mechanism; Renewable materials; Styrene; Styrene/butadiene/styrene; Styrene butadiene styrene modified asphalt; Styrene-butadiene-styrene-modified asphalt; Toluene; Toluenediisocyanate