Research on Micro Properties of Bio-oil Modified Asphalt Based on Molecular Dynamics Simulation Technique
QU Xin1, DING Heyang1,2, WANG Chao3, LIU Yu1, WANG Hainian1
1 School of Highway, Chang'an University, Xi'an 710064, China 2 Institute of Highway Engineering, RWTH Aachen University, Aachen 52074, Germany 3 Department of Road and Railway Engineering, Beijing University of Technology, Beijing 100124, China
Abstract: In order to further verify the feasibility of the application of bio-oil modified asphalt in asphalt pavement, this work mixed different amounts of bio-oil into the asphalt, and the impact and mechanism of the micro-technical performance of bio-oil on asphalt were studied by means of molecular dynamics technology and macro experiments. In this work, microscopic evaluation indicators such as cohesive energy density and Hansen solubility were introduced, the rationality of the asphalt model was verified by the relationship between dynamic modulus and cohesive energy density, and the microscopic properties including microscopic Young's modulus, microscopic Poisson's ratio, microscopic viscosity and solubility parameters were further studied. The results show that the molecular model of bio-oil modified asphalt based on the average molecular structure of triglyceride (TG) has good reliability; in micro scale, the greater the cohesive energy density of the asphalt binder, the stronger the bond between the molecules in the asphalt binder, and the better the ability to resist shear deformation macroscopically; the increasing bio-oil can reduce the Young's modulus and Poisson's ratio of the asphalt model; under a certain load, the incorporation of bio-oil can make the asphalt binder softer, and the horizontal deformation also gets smaller. Similarly, the shear modulus of the asphalt binder model decreases with the amount of bio-oil. In addition, the Hansen solubility parameters of SBS modifier, biomass oil and asphalt were calculated. It is confirmed that the microscopic reason for the poor storage stability of SBS modified asphalt binder is the difference of the Hansen solubility parameters between SBS and asphalt binder. Furthermore, it is found that the Hansen solubility parameter of bio-oil and asphalt binder is closer, compared with SBS. From the microscopic mechanism, it can be inferred that the storage stability of bio-oil modified asphalt binder is better than that of SBS-modified asphalt binder. The influence of biomass oil on the microscopic properties of asphalt has been proved, and the scientific method of studying asphalt materials has been further expanded. The storage and application of oil-modified asphalt in asphalt road construction provides a theoretical basis.
屈鑫, 丁鹤洋, 王超, 刘玉, 汪海年. 基于分子动力学模拟技术的生物质油改性沥青微观性能研究[J]. 材料导报, 2022, 36(19): 21050106-6.
QU Xin, DING Heyang, WANG Chao, LIU Yu, WANG Hainian. Research on Micro Properties of Bio-oil Modified Asphalt Based on Molecular Dynamics Simulation Technique. Materials Reports, 2022, 36(19): 21050106-6.
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2022, Vol. 36 
