Investigating the rheological properties and compatibility behaviours of RET/PE and WR/CR/ SBS compound-modified bitumen

Two types of elastomer/plastic compound-modified bitumen were developed by means of incorporating the reactive elastomeric terpolymer (RET) into the plastic (high-density polyethylene HDPE or recycled polyethylene RPE) modified bitumen and adding the wax residue (WR) into the bitumen/elastomer (crumb rubber CR or styrene–butadiene–styrene SBS)...

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

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 EO, naphthenic-oil NO, and aromatic-oil AO) in aged binders. The molecular dynamics (MD) simulation method is performed to detect the molecular-level diffusion...

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

Molecular dynamics (MD) simulation plays an effective role in predicting the critical properties and explaining the macroscale phenomenon at the nanoscale. This review summarized the application cases of MD simulations in various bitumen systems, considering aging, modification, and rejuvenation factors. Meanwhile, the potential relationships...

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

The cohesive and adhesive performances of bituminous materials significantly affect the service life of asphalt pavement. The molecular dynamics (MD) simulation method has been proved as an effective tool to predict the thermodynamics parameters of different multisubstance and multi-phase bitumen models during different diffusion, self-healing,...

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

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 dynamics (MD) simulation in predicting the compatibility between rejuvenators and aged bitumen, and exploring the influence of rejuvenator type, aging degree of...

Multi-component analysis, molecular model construction, and thermodynamics performance prediction on various rejuvenators of aged bitumen

The molecular dynamics (MD) simulation method is proved as an efficient tool to explore the intermolecular interaction between rejuvenators and aged bitumen, but the simple “singlemolecule” model of rejuvenator would bring the inaccuracy to simulation outputs due to a huge difference with its realistic multi-component chrematistic. This study...

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

Molecular dynamics (MD) simulation is an advanced tool to explore the interaction mechanism between aged bitumen and rejuvenators at the nanoscale. However, the general MD molecular structures of rejuvenators led to the lower quantify and inaccuracy of the simulation outputs. This study aims at developing more realistic molecular models to...