Molecular-based asphalt oxidation reaction mechanism and aging resistance optimization strategies based on quantum chemistry

• Published in: Materials & design Vol. 223; p. 111225
• Main Authors: Liu, Shuang, Shan, Liyan, Li, Guannan, Shane Underwood, B., Qi, Cong
• Format: Journal Article
• Language: English
• Published: Elsevier Ltd 01.11.2022; Elsevier
• Subjects: Aged asphalt model; Aging resistance optimization; Asphalt; Oxidation reaction; Quantum chemistry; Aging resistance optimization; Asphalt; Quantum chemistry; Oxidation reaction; Aged asphalt model

[Display omitted] •The molecule with sulfur and cata-condensed polycyclic aromatic hydrocarbons (PAHs) has strong oxidation reactivity.•The oxidation rate of Ⅰ molecules is limited by hydrogen and hydroxyl radicals, Ⅱ molecules is limited by oxygen radicals.•The molecular models of aged asphalt are...