Using Molecular Dynamics Simulation to Study Concentration Distribution of Asphalt Binder on Aggregate Surface
Publication: Journal of Materials in Civil Engineering
Volume 30, Issue 5
Abstract
The interfacial interaction between asphalt binder and mineral aggregate makes different components have different concentration distributions. It influences the performance of the interface and consequently that of the mix. An asphalt binder–mineral aggregate interface model was built by molecular dynamics (MD) simulation. Four asphalt components and five mineral components were selected to analyze the concentration distribution at the interface. Results show that the concentration peak distribution of asphalt components was dependent on directions. The concentration peak perpendicular to the surface of minerals was higher than that parallel to the surface of minerals. Increasing temperature accelerated the movement of four asphalt components, resulting in reduction and widening of concentration peaks. Increasing temperature made four asphalt components disperse more homogeneously. The resin and asphaltene had similar concentration distribution curve forms, but the peaks of resin lagged behind asphaltene. In contrast, the concentration distribution of aromatics and saturates was more random and homogeneous.
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Acknowledgments
This study was supported by Beijing Natural Science Foundation (8174071), China Postdoctoral Science Foundation (2016M600926), and Fundamental Research Funds for the Central Universities (FRF-TP-16-039A1).
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Published In
Journal of Materials in Civil Engineering
Volume 30 • Issue 5 • May 2018
Copyright
©2018 American Society of Civil Engineers.
History
Received: May 15, 2017
Accepted: Oct 30, 2017
Published online: Mar 15, 2018
Published in print: May 1, 2018
Discussion open until: Aug 15, 2018
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