Molecular dynamics simulation on cohesion and adhesion properties of the emulsified cold recycled mixtures. (23rd May 2022)

• Record Type: Journal Article
• Authors: Wu, Meng; Xu, Guangji; Luan, Yingcheng; Zhu, Yajing; Ma, Tao; Zhang, Weiguang
• Is Part Of: Construction & building materials. Volume 333(2022)
• Publication Date: 2022-05-23
• Subjects: Emulsified asphalt -- Reclaimed asphalt pavement -- Emulsified cold recycled mixture -- Interfacial properties -- Molecular dynamics simulations; Building materials -- Periodicals; 624.18
• DOI: 10.1016/j.conbuildmat.2022.127403
• Languages: English
• ISSNs: 0950-0618

Abstract

Highlight: Studying cohesive and adhesive properties of emulsified cold recycled mixture with molecular dynamics simulations. Evaluate the rationality of emulsified asphalt and reclaimed asphalt pavement through comparisons with experimental data. Predict interfacial adhesion of emulsified asphalt from MD simulations. Evaluate effects of emulsifier content, moisture and temperature on adhesion between emulsified asphalt and aggregate. Abstract: To explore the interface behavior between emulsified asphalt and aggregate/reclaimed asphalt pavement (RAP), molecular dynamic simulation is carried out in this paper. Molecular models of emulsified asphalt and reclaimed asphalt pavement are constructed. Basic properties, such as density, Solubility parameter, etc., are calculated and compared with actual test data for verification. The emulsifier content, moisture, and temperature effect on adhesive condition of the asphalt-aggregate interface in cold-recycled asphalt emulsion mixture at the molecular scale are investigated and compared. Two types of emulsified asphalt are selected in the paper. The simulation results show that cetyltrimethylammonium chloride emulsified asphalt has stronger adhesion to silica at high temperatures, while sodium dodecylbenzene sulfonate emulsified asphalt has better resistance to water damage. Both virgin asphalt and emulsified asphalt have weak adhesion to the RAP, which means it is necessary to use modifiers and additives to enhance interfacial adhesion. Cohesion failure or adhesion failure between emulsified asphalt and silica can happen at different temperatures. This study on the interfacial properties of emulsified asphalt nanocomposites will be helpful to further understanding the strength formation mechanism of the emulsified cold recycled mixtures.