Please use this identifier to cite or link to this item: https://hdl.handle.net/10356/86480
Title: Mechanical property and analysis of asphalt components based on molecular dynamics simulation
Authors: Li, Rui
Guo, Qiqi
Du, Hui
Pei, Jianzhong
Keywords: Molecular Dynamics Simulation
Asphalt-aggregate Interaction
Issue Date: 2017
Source: Li, R., Guo, Q., Du, H., & Pei, J. (2017). Mechanical property and analysis of asphalt components based on molecular dynamics simulation. Journal of Chemistry, 2017, 1531632-.
Series/Report no.: Journal of Chemistry
Abstract: The asphalt-aggregate interface interaction plays a significant role in the overall performances of asphalt mixture. In order to analyze the chemical constitution of asphalt effects on the asphalt-aggregate interaction, the average structure C64H52S2 is selected to represent the asphalt, and the colloid, saturated phenol, and asphaltene are selected to represent the major constitutions in asphalt. The molecular models are established for the three compositions, respectively, and the Molecular Dynamics (MD) simulation was conducted for the three kinds of asphaltene-aggregate system at different presses. Comparing the value of Young modulus of these three polymers, the maximum modulus value of asphaltene was 2.80 GPa, the modulus value of colloid was secondary, and the minimum modulus of saturated phenol was 0.52 GPa. This result corresponds to conventional understanding.
URI: https://hdl.handle.net/10356/86480
http://hdl.handle.net/10220/45307
ISSN: 2090-9063
DOI: http://dx.doi.org/10.1155/2017/1531632
Rights: © 2017 Rui Li et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
Fulltext Permission: open
Fulltext Availability: With Fulltext
Appears in Collections:MSE Journal Articles

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