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Open AccessArticle

The Effect of Moisture on the Adhesion Energy and Nanostructure of Asphalt-Aggregate Interface System Using Molecular Dynamics Simulation

School of Civil Engineering, Guangzhou University, Guangzhou 510006, China
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Academic Editors: Andrei Rotaru and Maria Dinescu
Molecules 2020, 25(18), 4165; https://doi.org/10.3390/molecules25184165
Received: 14 August 2020 / Revised: 2 September 2020 / Accepted: 10 September 2020 / Published: 11 September 2020
In this work, the influences of moisture intruded into the asphalt-aggregate interface have been investigated at the atomistic scale. The molecular interactions of asphalt with limestone and granite were studied using molecular dynamics (MD) simulations and the mineral surface components of limestone and granite were detected using the hyperspectral image technique. Relative concentration and radial distribution function (RDF) were employed for the characterization of asphalt component aggregations on aggregates surface. Adhesion work and debonding energy were also evaluated to investigate interface energy variations in asphalt-aggregate systems. MD results showed that the presence of interfacial moisture modified asphalt nanostructure and affected the aggregation state and distribution characteristics of asphalt components near aggregate surface. The study also demonstrated that the external moisture that intruded into the interface of the asphalt-aggregate system can decrease the concentration distribution of the asphalt components with powerful polarity on aggregate surface, reduce the adhesion works of the asphalt-aggregate interface, and decline the water damage resistance of asphalt mixture. View Full-Text
Keywords: mineral surface; asphalt-aggregate interface; molecular dynamics; hyperspectral image technique; interfacial adhesion; moisture effect mineral surface; asphalt-aggregate interface; molecular dynamics; hyperspectral image technique; interfacial adhesion; moisture effect
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MDPI and ACS Style

Cui, W.; Huang, W.; Xiao, Z.; Xie, J.; Hu, B.; Cai, X.; Wu, K. The Effect of Moisture on the Adhesion Energy and Nanostructure of Asphalt-Aggregate Interface System Using Molecular Dynamics Simulation. Molecules 2020, 25, 4165. https://doi.org/10.3390/molecules25184165

AMA Style

Cui W, Huang W, Xiao Z, Xie J, Hu B, Cai X, Wu K. The Effect of Moisture on the Adhesion Energy and Nanostructure of Asphalt-Aggregate Interface System Using Molecular Dynamics Simulation. Molecules. 2020; 25(18):4165. https://doi.org/10.3390/molecules25184165

Chicago/Turabian Style

Cui, Wentian; Huang, Wenke; Xiao, Zhicheng; Xie, Jiawen; Hu, Bei; Cai, Xu; Wu, Kuanghuai. 2020. "The Effect of Moisture on the Adhesion Energy and Nanostructure of Asphalt-Aggregate Interface System Using Molecular Dynamics Simulation" Molecules 25, no. 18: 4165. https://doi.org/10.3390/molecules25184165

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