Investigation of asphalt oxidation kinetics aging mechanism using molecular dynamic simulation

Asphalt oxidative aging leads to pavement to become harder and brittle, resulting in the complex cracking and other diseases. However, the microscopic causes of oxidative aging and these changes are not clear. It is meaningful to investigate the complex aging process of asphalt from virgin state to aged state from a microscopic perspective. Molecular dynamics (MD) simulation was used to investigate the oxidation kinetic aging process from the microscopic point of view. Asphalt binders were aged in the oven at five different aging times to simulate the oxidative aging. Saturates, asphaltene, resin, and aromatic (SARA) fraction weights of binders as well as carbonyls and sulfoxides at different aging states were determined using the four fractions separation test and Fourier Transform Infrared Spectroscopy (FTIR). The virgin, fast-rate reaction, constant-rate reaction and full oxidation asphalt molecular models were established corresponded to the proportions of SARA fractions, carbonyl index and sulfoxide index. These models were simulated to investigate the microscopic properties, and the oxidation kinetic aging mechanism of asphalt were revealed.


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  • Accession Number: 01882161
  • Record Type: Publication
  • Files: TRIS
  • Created Date: May 18 2023 5:08PM