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<p>CNT has emerged as a highly effective reinforcing agent for asphalt with its exceptional mechanical performance and thermal stability. However, the reinforcing efficiency of CNT is greatly influenced by its interaction with asphalt. In this study, the functionalization on CNT-asphalt nanocomposites is systematically investigated by molecular dynamics simulation. Results show that the functionalized CNT can greatly enhance the pullout resistance of asphalt nanocomposites, reducing the relative movement at the CNT/asphalt interface. The functional groups on FCNT can more readily affect asphalt molecules at their interfaces, facilitating a bridging and bonding interaction between asphalt and FCNT. Both asphaltene and saturate components can mechanically entangle with these functional groups, enhancing the shear resistance of asphalt nanocomposites. Elevated temperatures negatively impact the shear resistance of these nanocomposites, while the shear resistance of FCNT is 1.5 times higher than that of CNT at 200&#xa0;K, and the difference between FCNT and CNT reduces to around 1.1 times at 350&#xa0;K. The new insight into the reinforcement mechanism at the atomistic level can offer novel physical perspectives for designing advanced asphalt nanocomposites.</p>

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Understanding the Reinforcing Mechanism of Butylamine Functionalized Carbon Nanotubes Modified Asphalt: An Atomistic Perspective

  • 期刊论文

  • 发表日期：

    2026年1月23日

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  • Huaxin Deng,
  • Hang Lin,
  • Xing Su,
  • Ke Ou,
  • Fenghua Nie

摘要

CNT has emerged as a highly effective reinforcing agent for asphalt with its exceptional mechanical performance and thermal stability. However, the reinforcing efficiency of CNT is greatly influenced by its interaction with asphalt. In this study, the functionalization on CNT-asphalt nanocomposites is systematically investigated by molecular dynamics simulation. Results show that the functionalized CNT can greatly enhance the pullout resistance of asphalt nanocomposites, reducing the relative movement at the CNT/asphalt interface. The functional groups on FCNT can more readily affect asphalt molecules at their interfaces, facilitating a bridging and bonding interaction between asphalt and FCNT. Both asphaltene and saturate components can mechanically entangle with these functional groups, enhancing the shear resistance of asphalt nanocomposites. Elevated temperatures negatively impact the shear resistance of these nanocomposites, while the shear resistance of FCNT is 1.5 times higher than that of CNT at 200 K, and the difference between FCNT and CNT reduces to around 1.1 times at 350 K. The new insight into the reinforcement mechanism at the atomistic level can offer novel physical perspectives for designing advanced asphalt nanocomposites.