Molecular Dynamics-Based Study of the Mechanism of Carbon Nanotubes on the Capacitating Effect of SBS/Bitumen Composites

Computer simulations of SBS modified bitumen and carbon nanotube/SBS were carried out to have research on the mechanism capacitating effect nanotubes SBS-modified bitumen. Through molecular dynamics simulation, binding energy (Ebinding), radial distribution function (g(r)) mixing (Emixing) composites analyzed according Velocity-Verlet algorithm, enhancement compatibility was quantified influence law technical indexes analyzed. The results showed that introduction significantly improved SBS/bitumen system. between polymer in 169.91 kJ/mol, while nanotubes/SBS system 185.72 kJ/mol. source analyzed, this leads conclusion dominant van der Waals energy.