4.5 Article

Effect of styrene-butadiene-styrene copolymer on the aging resistance of asphalt: An atomistic understanding from reactive molecular dynamics simulations

Journal

FRONTIERS OF STRUCTURAL AND CIVIL ENGINEERING
Volume 15, Issue 5, Pages 1261-1276

Publisher

HIGHER EDUCATION PRESS
DOI: 10.1007/s11709-021-0761-5

Keywords

SBS asphalt; oxidative aging; asphalt hardening; ReaxFF; molecular dynamics

Funding

  1. National Natural Science Foundation of China [51878162]
  2. Scientific Research Foundation of Graduate School of South-east University [YBPY2043]
  3. Innovation and Development Foundation of Tibet Tianlu Co., Ltd. [XZ 2019 TL-G-01]

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SBS polymer modification can potentially influence the anti-aging performance of asphalt by inhibiting oxidation through restricting asphalt molecule diffusion, resulting in higher oxidation at the early stage but lower oxidation in the long run, and counteracting asphalt aging hardening by degrading into smaller blocks.
To reveal the potential influence of styrene-butadiene-styrene (SBS) polymer modification on the anti-aging performance of asphalt, and its mechanism, we explored the aging characteristics of base asphalt and SBS-modified asphalt by reaction force field (ReaxFF) and classical molecular dynamics simulations. The results illustrate that the SBS asphalt is more susceptible to oxidative aging than the base asphalt under oxygen-deficient conditions due to the presence of unsaturated C=C bonds in the SBS polymer. In the case of sufficient oxygen, the SBS polymer inhibits the oxidation of asphalt by restraining the diffusion of asphalt molecules. Compared with the base asphalt, the SBS asphalt exhibits a higher degree of oxidation at the early stage of pavement service and a lower degree of oxidation in the long run. In addition, SBS polymer degrades into small blocks during aging, thus counteracting the hardening of aged asphalt and partially restoring its low-temperature cracking resistance.

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