Molecular Interfacial Interaction Mechanism between Graphene-SBS and Bitumen Components.

Area of Science:

• Materials Science
• Chemical Engineering
• Civil Engineering

Background:

• Graphene-modified bitumen shows limited effectiveness due to poor dispersion and weak interfacial interaction.
• Styrene-butadiene-styrene (SBS)-modified bitumen has insufficient thermal stability.
• Understanding the three-phase interface between graphene, SBS, and bitumen is crucial for improving pavement materials.

Purpose of the Study:

• To systematically investigate the synergistic mechanism of the three-phase molecular interface between graphene, SBS, and bitumen.
• To provide a theoretical basis for molecular design and interfacial improvement in high-performance pavement materials.

Main Methods:

• Molecular dynamics simulations were employed to study the graphene-SBS-bitumen interactions.
• Analysis of interfacial bonding, mechanical entanglement, and network formation.

Main Results:

• Graphene forms stable bonds with bitumen components (asphaltene, resin) via π-π stacking and van der Waals forces.
• SBS mechanically entangles with graphene through flexible chain segments.
• A 3D interpenetrating network enhances interfacial binding energy and charge transfer efficiency.

Conclusions:

• Hybrid modification with graphene and SBS creates a synergistic effect, significantly improving bitumen properties.
• Enhanced interfacial interactions lead to superior high-temperature stability, fatigue resistance, and low-temperature crack resistance.
• This research provides a molecular-level understanding for developing advanced pavement materials and extending service life.