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Molecular dynamics investigation of interfacial adhesion between oxidised bitumen and mineral surfaces

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成果类型:
期刊论文
作者:
Gao, Yangming;Zhang, Yuqing*;Yang, Yang;Zhang, Junhui;Gu, Fan
通讯作者:
Zhang, Yuqing
作者机构:
[Zhang, Yuqing; Gao, Yangming; Gu, Fan] Aston Univ, Aston Inst Mat Res, Birmingham B4 7ET, W Midlands, England.
[Zhang, Yuqing; Gao, Yangming; Gu, Fan] Aston Univ, Engn Syst & Management Grp, Birmingham B4 7ET, W Midlands, England.
[Yang, Yang] Aston Univ, Bioenergy Res Grp, European Bioenergy Res Inst, Birmingham B4 7ET, W Midlands, England.
[Zhang, Junhui] Changsha Univ Sci & Technol, Natl Engn Lab Highway Maintenance Technol, Changsha, Hunan, Peoples R China.
通讯机构:
[Zhang, Yuqing] A
Aston Univ, Aston Inst Mat Res, Birmingham B4 7ET, W Midlands, England.
Aston Univ, Engn Syst & Management Grp, Birmingham B4 7ET, W Midlands, England.
语种:
英文
关键词:
Bitumen aging;Interfacial adhesion;Mineral surfaces, molecular dynamics;Oxidised bitumen;Water damage
期刊:
Applied Surface Science
ISSN:
0169-4332
年:
2019
卷:
479
页码:
449-462
基金类别:
To quantify the adhesion between bitumen and mineral, the adhesive bond energy of the bitumen-mineral interface systems is characterised by the work of adhesion. It is defined as the energy required separating a unit area of the bitumen-mineral interface into a bitumen surface and a mineral surface. The work of adhesion (WBM) is expressed as [34,50]. WBM=∆EBM/A ∆EBM=EB+EM–EBM where ∆EBM is the interaction energy between bitumen and mineral in the bitumen-mineral system; EB, EM, and EBM represent
机构署名:
本校为其他机构
院系归属:
交通运输工程学院
摘要:
The interfacial adhesion between oxidised bitumen and mineral surfaces at dry and wet conditions was investigated using molecular dynamics (MD) simulations. Molecular models were built for virgin and oxidised bitumen components including saturate, aromatic, resin and asphaltenes. The bitumen models and four representative mineral substrates (namely quartz, calcite, albite and microcline) were employed to construct bitumen-mineral interface systems. These models were validated by the experimental results and MD simulations reported in the litera...

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