Journal of South China University of Technology(Natural Science Edition) ›› 2022, Vol. 50 ›› Issue (5): 65-72.doi: 10.12141/j.issn.1000-565X.210595

Special Issue: 2022年交通运输工程

• Traffic & Transportation Engineering • Previous Articles     Next Articles

Research on the Compatibility of Bio-Asphalt Based on Molecular Dynamics

XU Ning1 WANG Hainian1 CHEN Yu1 ZHANG Ran2 DING Heyang1 MA Ziye1   

  1. 1.School of Highway，Changan University，Xian 710064，Shaanxi，China；2.School of Civil and Transportation Engineering，Beijing University of Civil Engineering and Architecture，Beijing 100044，China
  • Received:2021-09-13 Revised:2021-10-14 Online:2022-05-25 Published:2021-10-29
  • Contact: 汪海年（1977-），男，教授，主要从事道路工程研究。 E-mail:wanghn@chd.edu.cn
  • About author:徐宁（1993-），男，博士生，主要从事路面材料与结构研究。E-mail：xn@chd.edu.cn
  • Supported by:
    Supported by the National Natural Science Foundation of China（51878063，52078048，52008029）

PDF

186

Abstract: Molecular models of base asphalt，bio-oil，and bio-asphalt were constructed based on molecular dynamics in order to study the compatibility of wood chip based bio-oil and asphalt，and the compatibility of bio-oil with asphalt and its components was quantitatively analyzed by molecular polarity，solubility parameters，and binding energy.The simulation results were validated with the help of the segregation test.The results show that the solubility parameters of bio-oil are closer to those of asphaltene fraction，both of them having stronger polarities and more susceptible to adsorption.As the temperature increases，the difference in solubility parameters between bio-oil and asphalt gradually becomes larger and the binding energy gradually decreases.The difference of parameters in solubility and the binding energy significantly deteriorates when the system temperature exceeds 433K，and the storage stability of bio-asphalt decreases obviously when the temperature reaches 453K.To ensure the compatibility between bio-oil and asphalt and avoid serious segregation during high-temperature storage，it is recommended that the storage temperature of bio-asphalt should not exceed 433K.

Key words: wood chip pyrolysis bio-oil, asphalt, bio-asphalt, compatibility, molecular dynamics

CLC Number: