Benzene (C6H6) is a colorless and flammable liquid with a sweet smell and a relatively high melting point.
Simulation of C6H6 molecule at 300 K inside
flexible armchair (12,12) SWNT of length 50Å.
The forces on the atoms are calculated using the Brenner potential that models the covalent bonding within both the C6H6 molecules and the carbon nanotubes.
The animation was made using Aviz program. The carbon atoms of the benzene are colored in violet while the carbon atoms of the nanotube are colored in blue. The total time of the simulation is 100 ps.