Thermal transport and mechanical performance of composite phase change materials' modified asphalt using the molecular dynamics method

M Guo and JL Chen and H Yao and YR Wang and JN Zeng and JR Han, MOLECULAR SIMULATION, 51, 716-734 (2025).

DOI: 10.1080/08927022.2025.2514895

This study aims to investigate the mechanical and thermal impact of phase change materials (PCM) on the interfacial properties of asphalt. The composite phase change materials (CPCM), consisting of graphene nanoplatelet (GNP) and polyethylene glycol 1500 (PEG1500), were chosen to modify asphalt (GPMA). The results show that both the ability of aggregation and diffusivity of GPMA decreased with the increase of temperature and CPCM content in asphalt. The diffusivity of GPMA increased as the content of GNP in CPCM was less than 6%. GNP improved the thermal conductivity of PEG and asphalt, but in the asphalt- aggregate interface, GNP adversely increased its interfacial heat resistance, further reducing the heat transfer efficiency of aggregate to asphalt, although PEG can decrease it. This may be because the special lattice of GNP led to insufficient interface contact. The thermal effect was reflected in the adhesion property of asphalt as well, the tensile strength and capability of crack resistance were improved by PEG but weakened by GNP. Moreover, an interfacial failure process was observed, with heavy components of asphalt aggregate in the interface, and cracks spread as separation of light components. This contribution provided insights regarding the impact of CPCM on the thermal and adhesion properties.

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