[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] Molecular dynamics simulation on bulk bitumen systems and its potential connections to macroscale performance: Review and discussion

S Ren, X Liu, P Lin, Y Gao, S Erkens - Fuel, 2022 - Elsevier
Molecular dynamics (MD) simulation plays an effective role in predicting the critical
properties and explaining the macroscale phenomenon at the nanoscale. This review …

[HTML][HTML] Chemical characterizations and molecular dynamics simulations on different rejuvenators for aged bitumen recycling

S Ren, X Liu, P Lin, S Erkens, Y Gao - Fuel, 2022 - Elsevier
Molecular dynamics (MD) simulation is an advanced tool to explore the interaction
mechanism between aged bitumen and rejuvenators at the nanoscale. However, the …

Oxidative aging mechanism of asphalt binder using experiment-derived average molecular model and ReaxFF molecular dynamics simulation

B Cui, H Wang - Fuel, 2023 - Elsevier
Oxidative aging in asphalt binders has significant negative impacts on asphalt pavement
performance. This study investigated oxidative aging of virgin asphalt binder based on …

[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 …

Adsorbing volatile organic compounds within bitumen improves colloidal stability and air quality

M Mousavi, S Aldagari, EH Fini - ACS Sustainable Chemistry & …, 2023 - ACS Publications
The mass loss of bitumen due to volatilization is one of the deterioration mechanisms
through which the chemical composition of bitumen deviates from its original condition …

Aging characterization of asphalt binders through multi-aspect analyses: A critical review

M Ahmad, M Khedmati, D Mensching, B Hofko… - Fuel, 2024 - Elsevier
Asphalt binders, an indispensable component in road infrastructure construction and
maintenance, have been utilized for centuries in the roads. While binders have …

[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 …

Establishment of icing prediction model of asphalt pavement based on support vector regression algorithm and Bayesian optimization

E Yang, Q Yang, J Li, H Zhang, H Di, Y Qiu - Construction and Building …, 2022 - Elsevier
To improve the icing prediction accuracy of asphalt pavement, a prediction method for
asphalt pavement icing based on the support vector regression (SVR) algorithm is proposed …

Rejuvenation effect of aged SBS-modified asphalt utilizing molecule analysis

K Shi, F Ma, J Liu, Z Fu, R Song, D Yuan, C Li - Journal of Cleaner …, 2023 - Elsevier
The performance of styrene-butadiene-styrene modified asphalt (SBSMA) is significantly
impacted by its aging and regeneration. In this research, the molecular dynamics simulation …