Influence of silane-hydrolysate coupling agents on bitumen–aggregate interfacial adhesion: An exploration from molecular dynamics simulation
Document Type
Article
Publication Date
1-1-2022
Abstract
The objective of this research was to investigate the influence of silane-hydrolysate coupling agents on various parameters of the interfacial adhesion between bitumen and mineral aggregate by applying molecular dynamics (MD) simulations. The simulation was based on the 12-component molecular model of AAA-1 bitumen, and the molecular models of two types of mineral aggregate (SiO2 and CaCO3) and two silane-hydrolysates (KH550 and KH792). The results demonstrated that the interfacial adhesion energy significantly increased by the surface treatment of aggregate by silane-hydrolysates, whereby the hydrolysate KH792 had a much stronger effect than KH550. Both silane-hydrolysates increased the debonding energy between the SiO2 aggregate but decreased for the CaCO3 aggregate. The theoretical basis provided by this research enables a better understanding of the influence of silane-hydrolysates on the adhesion performance between bitumen and different aggregate types.
Publication Title
International Journal of Adhesion and Adhesives
Recommended Citation
Peng, C.,
Lu, L.,
You, Z.,
Xu, F.,
You, L.,
Miljković, M.,
Guo, C.,
Huang, S.,
Ma, H.,
Hu, Y.,
Liu, Y.,
Dai, J.,
Zhu, J.,
&
Bi, H.
(2022).
Influence of silane-hydrolysate coupling agents on bitumen–aggregate interfacial adhesion: An exploration from molecular dynamics simulation.
International Journal of Adhesion and Adhesives,
112.
http://doi.org/10.1016/j.ijadhadh.2021.102993
Retrieved from: https://digitalcommons.mtu.edu/michigantech-p/15479