基于分子动力学的废食用油改性沥青自愈合特性研究

doi:10.11896/cldb.21110097

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Abstract To reveal the influence mechanism of waste edible oil on the self-healing properties of asphalt, the self-healing properties of waste edible oil modified asphalt were studied by molecular dynamics method. The models of base asphalt and waste edible oil modified asphalt were constructed. The rationality of the models was verified by energy, radial distribution function (RDF), density and solubility parameters. Then the dynamics calculated were applied to both the self-healing models containing 15 Å microcrack of base asphalt and waste edible oil modified asphalt. The changes of configuration, relative concentration of the asphalt molecule, cell parameters and energy in the self-healing process for the two models were compared and analyzed. At the same time, the molecule diffusion ability of asphalt and its components were statistically analyzed. The results show that the van der Waals force drives the diffusion of asphalt molecules in the process of self-healing. At the same time, asphalt molecules are subjected to molecular tension to gradually fill the microcracks;with the increase of temperature, the microcracks of base asphalt and waste edible oil modified asphalt can be repaired faster. However, when the temperature exceeds 318 K, the promoting effect is not obvious. Compared with base asphalt, the microcrack in the self-healing model of waste edible oil modified asphalt disappear earlier, showing better self-healing efficiency. When waste edible oil is added, the asphaltene aggregate in asphalt decreases, leaving diffusion channels for other component molecules. At the same time, waste edible oil molecules with single chain structure also have a strong diffusion ability, so the overall diffusion ability of waste edible oil modified asphalt is stronger than that of base asphalt. Thus the waste edible oil modified asphalt shows better self-healing performance. The findings are helpful to deeply understand the self-healing characteristics of waste edible oil modified asphalt, and the research methods can also provide a reference for similar research.

Key words： asphalt binder waste edible oil molecular dynamics self-healing diffusion ability

Published: 10 August 2023 Online: 2023-08-07

CLC number:

U414

Fund:National Natural Science Foundation of China (51878063,52078048,52008029).

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	Articles by authors
	XU Ning
	WANG Hainian
	CHEN Yu
	DING Heyang
	FENG Ponan
	ZHAO Yunfei

Cite this article:

XU Ning,WANG Hainian,CHEN Yu, et al. Research on the Self-healing Properties of Waste Edible Oil Modified Asphalt Based on Molecular Dynamics Method[J]. Materials Reports, 2023, 37(15): 21110097-8.

URL:

http://www.mater-rep.com/EN/10.11896/cldb.21110097 OR http://www.mater-rep.com/EN/Y2023/V37/I15/21110097

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