Interfacial interaction behavior of recycled asphalt pavement: Molecular dynamics simulation

Tan, Yangwei; Xie, Jianguang; Song, Jing; Xu, Jinwei; Li, Xiang

doi:10.1016/j.colsurfa.2023.132194

Cited by 9 publications

(1 citation statement)

References 74 publications

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“…Asphalt molecular dynamics simulation is a method that employs computer simulation techniques to study the structure, properties, and behavior of asphalt molecules. This simulation utilizes the principles of molecular dynamics to investigate the interactions, movements, arrangements, and changes among asphalt molecules, exploring their behaviors under different conditions [ 29 , 30 , 31 , 32 ]. Due to asphalt being a chemical mixture composed of various hydrocarbons and miscellaneous atoms such as oxygen, sulfur, and nitrogen [ 33 ], detailed information regarding its chemical composition is challenging to obtain.…”

Section: Molecular Dynamics Simulationmentioning

confidence: 99%

Study of the Cold Curing Characteristics of Isocyanate-Modified Asphalt

Zhou,

Peng,

Yang

et al. 2024

Materials

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Isocyanate esters are widely recognized for their superior curing capabilities. Leveraging this attribute, the current research formulated a modified cold-mixed asphalt blend using 4,4′-methylene diphenyl diisocyanate (MDI). Tests and analyses of the MDI-modified asphalt with varying inclusion percentages of MDI revealed that a mixture containing 15% rock asphalt and 15% MDI-modified asphalt exhibited a more balanced, comprehensive performance. We also conducted an examination of the role and properties of MDI in asphalt modification using molecular dynamics simulations. The cold-curing properties of MDI-modified asphalt as compared to petroleum asphalt were evaluated based on its density, free volume analysis, cohesive energy density, and glass transition temperature. Implementing the LB-13 gradation—a cold-mixed asphalt gradation with a nominal particle size of 13.2 mm recommended by Chinese specifications—we prepared MDI-modified cold-mixed asphalt and carried out analyses of its mechanical characteristics, high-temperature performance, and water damage resistance. The results demonstrated that MDI-modified asphalt showcases excellent ductility, flexibility, and aging resistance, surpassing the performance of petroleum asphalt. The stability, high-temperature rutting, and water damage resistance of the MDI-modified cold-mixed asphalt exceeded the requirements for hot-mixed asphalt. This research provides theoretical and experimental support for isocyanate ester applications in asphalt engineering, presenting significant value for practical engineering applications.

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