Study on Adhesion Property and Moisture Effect between SBS Modified Asphalt Binder and Aggregate Using Molecular Dynamics Simulation

In this project, the adhesion property and moisture effect between styrene–butadiene–styrene (SBS) modified asphalt binder and aggregate were studied to reveal their interface adhesion mechanism. The influence of SBS contents on adhesion property and moisture effect between binder and aggregate phases were investigated using molecular dynamics simulation. Moreover, the double-layer adhesion models of asphalt binder–aggregate and triple-layer debonding models of asphalt binder–water–aggregate were constructed and equilibrated, and the adhesion property and the moisture effect were evaluated numerically. The results indicate that the built SBS-modified asphalt binder models show favorable reliability in representing the real one. The variation in the work of adhesion for SBS modified asphalt binder–quartz is not remarkable with the SBS content when its content is relatively low. However, the work of adhesion decreased significantly when the content was higher than 6 wt.%, which is consistent with the experimental results. The adhesion between SBS-modified asphalt binder and quartz is derived from Van der Waals energy. The modified asphalt binder with a high SBS modifier content (8 wt.% and 10 wt.%) shows much better moisture resistance (nearly 30% improved) than the unmodified asphalt binder from the work of debonding results. According to the Energy Ratio (ER) values, asphalt binders with high SBS content (8 wt.% and 10 wt.%) present a good moisture resistance performance. Therefore, the SBS content should be seriously selected by considering the dry and wet conditions that are used to balance the adhesion property and debonding properties. The content of 4 wt.% may be the optimal content under the dry adhesion and moisture resistance.

[1]  C. Xing,et al.  Application of atomic force microscopy in bitumen materials at the nanoscale: A review , 2022, Construction and Building Materials.

[2]  Hao Wu,et al.  Molecular Dynamics Study of the Diffusion between Virgin and Aged Asphalt Binder , 2022, Coatings.

[3]  T. Abdel-Wahed,et al.  Bond Strength in Dry Condition of Reclaimed Asphalt Modified by Crumb Rubber Modified Binder , 2022, The Journal of Adhesion.

[4]  Hao Wang,et al.  Molecular interaction of Asphalt-Aggregate interface modified by silane coupling agents at dry and wet conditions , 2022, Applied Surface Science.

[5]  S. Erkens,et al.  Molecular dynamics simulation on bulk bitumen systems and its potential connections to macroscale performance: Review and discussion , 2022, Fuel.

[6]  Zhanping You,et al.  Discussion on molecular dynamics (MD) simulations of the asphalt materials. , 2021, Advances in colloid and interface science.

[7]  Yue Xiao,et al.  New innovations in pavement materials and engineering: A review on pavement engineering research 2021 , 2021, Journal of Traffic and Transportation Engineering (English Edition).

[8]  Jiu-peng Zhang,et al.  Investigation of friction behavior between tire and pavement by molecular dynamics simulations , 2021 .

[9]  D. Zhang,et al.  Evaluation for Low Temperature Performance of SBS Modified Asphalt by Dynamic Shear Rheometer Method , 2021, Buildings.

[10]  P. Cong,et al.  Effects of moisture on the bonding performance of asphalt-aggregate system , 2021 .

[11]  Caiyun Xia,et al.  A review of phase structure of SBS modified asphalt: Affecting factors, analytical methods, phase models and improvements , 2021 .

[12]  Nuha Salim Mashaan,et al.  Investigating the engineering properties of asphalt binder modified with waste plastic polymer , 2021 .

[13]  L. Chu,et al.  Molecular dynamics analysis of moisture effect on asphalt-aggregate adhesion considering anisotropic mineral surfaces , 2020 .

[14]  Zhengqi Zhang,et al.  Preparation and properties of high viscosity and elasticity asphalt by styrene–butadiene–styrene/polyurethane prepolymer composite modification , 2020 .

[15]  Jiu-peng Zhang,et al.  Study on the adhesion property between asphalt binder and aggregate: A state-of-the-art review , 2020 .

[16]  Yanhuai Ding,et al.  Analysis of interfacial adhesion properties of nano-silica modified asphalt mixtures using molecular dynamics simulation , 2020 .

[17]  Jiu-peng Zhang,et al.  Investigating the interaction behavior between asphalt binder and rubber in rubber asphalt by molecular dynamics simulation , 2020 .

[18]  Y. Zhang,et al.  Evaluation of the adhesion and healing properties of modified asphalt binders , 2020 .

[19]  J. Pei,et al.  Modeling the Oxidative Aging Kinetics and Pathways of Asphalt: A ReaxFF Molecular Dynamics Study , 2020 .

[20]  Daquan Sun,et al.  Laboratory Investigation of the Adhesion and Self-Healing Properties of High-Viscosity Modified Asphalt Binders , 2020 .

[21]  Jiu-peng Zhang,et al.  Using thermodynamic parameters to study self-healing and interface properties of crumb rubber modified asphalt based on molecular dynamics simulation , 2020 .

[22]  Jiu-peng Zhang,et al.  Study on the Mechanical Properties of Rubber Asphalt by Molecular Dynamics Simulation , 2019, Journal of Molecular Modeling.

[23]  J. Soares,et al.  Moisture-induced damage resistance, stiffness and fatigue life of asphalt mixtures with different aggregate-binder adhesion properties , 2019, Construction and Building Materials.

[24]  Yang Yang,et al.  Molecular dynamics investigation of interfacial adhesion between oxidised bitumen and mineral surfaces , 2019, Applied Surface Science.

[25]  Z. Hossain,et al.  A Synthesis of Computational and Experimental Approaches of Evaluating Chemical, Physical, and Mechanistic Properties of Asphalt Binders , 2019, Advances in Civil Engineering.

[26]  Zixuan Chen,et al.  Performance characteristics of asphalt materials based on molecular dynamics simulation – A review , 2018, Construction and Building Materials.

[27]  Hao Wang,et al.  Impact of minerals and water on bitumen-mineral adhesion and debonding behaviours using molecular dynamics simulations , 2018 .

[28]  Y. Li,et al.  Investigation of influence factors on low temperature properties of SBS modified asphalt , 2017 .

[29]  Dharamveer Singh,et al.  Moisture characteristics of mixtures with warm mix asphalt technologies – A review , 2017 .

[30]  Zejiao Dong,et al.  Nanostructure characterization of asphalt-aggregate interface through molecular dynamics simulation and atomic force microscopy , 2017 .

[31]  Guangji Xu,et al.  Molecular dynamics study of interfacial mechanical behavior between asphalt binder and mineral aggregate , 2016 .

[32]  Xingyi Zhu,et al.  Indices for self-healing performance assessments based on molecular dynamics simulation of asphalt binders , 2016 .

[33]  Hao Wang,et al.  Study of cohesion and adhesion properties of asphalt concrete with molecular dynamics simulation , 2016 .

[34]  Huai Sun,et al.  COMPASS II: extended coverage for polymer and drug-like molecule databases , 2016, Journal of Molecular Modeling.

[35]  Yuzhen Zhang,et al.  Molecular Dynamics Simulation to Investigate the Influence of SBS on Molecular Agglomeration Behavior of Asphalt , 2015 .

[36]  Michael L. Greenfield,et al.  Analyzing properties of model asphalts using molecular simulation , 2007 .