[HTML][HTML] Review on the diffusive and interfacial performance of bituminous materials: From a perspective of molecular dynamics simulation

S Ren, X Liu, P Lin, Y Gao, S Erkens - Journal of Molecular Liquids, 2022 - Elsevier
The cohesive and adhesive performances of bituminous materials significantly affect the
service life of asphalt pavement. The molecular dynamics (MD) simulation method has been …

[HTML][HTML] Engineering bitumen for future asphalt pavements: A review of chemistry, structure and rheology

G Pipintakos, A Sreeram, J Mirwald, A Bhasin - Materials & Design, 2024 - Elsevier
Bitumen, a product mostly used as a binder in road construction, has been subject of
numerous scientific investigations with the goal to optimise its function as an engineering …

[HTML][HTML] Insight into the compatibility behaviors between various rejuvenators and aged bitumen: Molecular dynamics simulation and experimental validation

S Ren, X Liu, P Lin, Y Gao, S Erkens - Materials & Design, 2022 - Elsevier
The compatibility potential of rejuvenators plays an important role in improving the blending
degree of rejuvenated bitumen. This study aims at estimating the efficiency of molecular …

Rheological properties and viscosity reduction mechanism of aromatic/naphthenic oil pre-swelling crumb rubber modified asphalt

X Zhao, F Li, X Zhang, J Cao, X Wang - Construction and Building Materials, 2023 - Elsevier
Using light oil to pretreat the crumb rubber (CR) could reduce the viscosity of the modified
asphalt, thereby enhancing its compatibility with asphalt binder and improving the …

Damage on asphalt surfaces caused by ionic solution erosion and salt crystallization at molecular scale

Y Tang, Z Fu, P Zhao, F Ma, Y Hou - Applied Surface Science, 2024 - Elsevier
The damage mechanism of severe salt corrosion on asphalt surfaces should be revealed at
molecular scale. This study utilized molecular dynamics (MD) and density functional theory …

Properties of polymer modified asphalt by polyphosphoric acid through molecular dynamics simulation and experimental analysis

Z Fu, Y Tang, C Peng, F Ma, C Li - Journal of Molecular Liquids, 2023 - Elsevier
Polyphosphoric acid (PPA) plays an important role in improving the performance of polymer
modified asphalt binders. This study aims to understand the modification mechanism of PPA …

Effect of water molecular behavior on adhesion properties of asphalt-aggregate interface

Y Tang, Z Fu, F Ma, P Zhao, Y Hou, X Jiang… - … and Building Materials, 2023 - Elsevier
Asphalt-aggregate interfaces are prone to damage by moisture, leading to a decrease in
interfacial adhesion. However, the precise mechanism governing water molecule behavior …

Diffusion mechanism explorations on the sustainable warm mix asphalt and synchronous rejuvenated SBS-modified asphalt binder using the free volume theory

P Xu, D Zhang, Z Liu, F Wang, D Luan - Sustainable Materials and …, 2024 - Elsevier
The blending degree, dominated by the diffusion process between virgin and rejuvenated
asphalt, profoundly affects the performance of recycled mixtures. However, research on the …

Multiscale investigation of waste soybean oil rejuvenated asphalt binder utilising experimental methodologies and molecular dynamics simulations

K Shi, Z Fu, J Liu, R Song, F Ma, J Dai… - International Journal of …, 2023 - Taylor & Francis
To demonstrate the rejuvenation effect of waste soybean oil (WSO) on aged asphalt binder
(AB) and realise the efficient combination of laboratory evaluation and numerical simulation …

[HTML][HTML] Molecular dynamics simulation and experimental validation on the interfacial diffusion behaviors of rejuvenators in aged bitumen

S Ren, X Liu, Y Gao, R Jing, P Lin, S Erkens, H Wang - Materials & Design, 2023 - Elsevier
This study aims to multiscale investigate the effects of rejuvenator type, temperature, and
aging degree of bitumen on the diffusion behaviors of rejuvenators (bio-oil BO, engine-oil …