Tetradecane (TD), a low-temperature phase change material, can compromise the performance of asphalt binder upon leakage. To investigate the macro- and nanoscale mechanisms of TD-induced damage, this study combined macroscopic experimental tests with molecular dynamics simulations. The rheological properties and dynamic parameters of asphalt binders with direct TD incorporation were comprehensively evaluated at both high and low temperatures. In addition, correlation analyses between rheological indices and dynamic parameters were conducted to uncover potential underlying relationships. The results indicated that TD reduced the deformation resistance of asphalt binder at high temperatures and increased its temperature sensitivity. The addition of TD enriched the viscous components within the binder, shifting its original viscoelastic behavior toward a predominantly viscous structure. This transformation led to reduced strain recovery but enhanced resistance to low-temperature cracking. Molecular dynamics simulations further revealed that TD incorporation increased the fraction free volume (FFV), decreased the cohesive energy density (CED) and solubility parameter, and elevated the molecular activity of the saturates, aromatics, resins, and asphaltenes (SARA) fractions. Correlation analysis demonstrated that the viscosity temperature sensitivity (VTS) and creep recovery (R) were strongly associated with dynamic parameters such as density, solubility, and FFV.
Hou et al. (2026) studied this question.