首页|Performance and synergistic mechanism of bio-oil/lignin composite modified asphalt based on molecular dynamics
Performance and synergistic mechanism of bio-oil/lignin composite modified asphalt based on molecular dynamics
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NETL
NSTL
Elsevier
For enhancing the comprehensive properties of asphalt, increasing the recovery of waste resources, decreasing the financial burden and increasing the reliance on petroleum-based materials, bio-oil/lignin composite-modified asphalt (OLMA) is a promising binder material. In this work, the chemical properties and molecular behaviors of OLMA were characterized to explore the synergistic mechanism between bio-oil and lignin via Fourier transform infrared spectroscopy, thin-layer chromatography, and molecular dynamics simulations. Both bio-oil and lignin increased the aromatic index (C=C bond), by 8.51 % and 46.81 %, respectively, while showing little effect on the long chain index (-(CH_2)_(n~-), n ≥ 4) and different effects on the aliphatic index (C-H bond in -(CH_2)_(n~-) and -CH_3). The addition of bio-oil increased the saturate and aromatic contents and reduced the resin and asphaltene contents of the asphalt, whereas the addition of lignin significantly increased the aromatic and resin contents and decreased the saturate content but had no significant effect on the asphaltene content. With the addition of 10 % bio-oil or 20 % lignin, Isolgel decreased by 16.87 % and increased by 9.64 %, respectively, compared with that of virgin asphalt. Molecular structure models of the bio-oil-lignin-asphalt system were constructed and validated, revealing the mechanism by which bio-oil/lignin influences the molecular behavior of the asphalt system by restricting the molecular diffusion ability, increasing the intermolecular interaction energy and increasing the solubility coefficient. This study is beneficial for the development of more efficient biobased binders through molecular structure optimization and performance prediction.
Yi Zhang、Chundi Si、Yanshun Jia、Tianwang Li、Chun Huang、Ze Zhang、Shisong Ren
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School of Traffic and Transportation, Shijiazhuang Tiedao University, Shijiazhuang, Hebei 050043, China||Hebei Key Laboratory of Traffic Safety and Control, Shijiazhuang Tiedao University, Shijiazhuang, Hebei 050043, China
Sustainable Pavement and Asphalt Research (SuPAR) group, Faculty of Applied Engineering, University of Antwerp, Antwerp 2020, Belgum
NETL
NSTL
Elsevier
