Molecular Dynamics Simulations Studies of surfactant -Wrapped Single -Walled Carbon Nanotubes surface

We used a molecular dynamics (MD) simulation approach to probe the behaviors of the carbon nanotubes (CNT) with Triton X۱۰۰ surfactant. So we assess nanotubes in different temperatures and diameter, according as the result of our simulations; the strong intermolecular interaction between CNT and TX۱۰۰ that cannot be influenced by the temperature in the rage we reported, and with an increase in nanotubes diameter, the interaction energy is increased.

کلیدواژه ها:

Molecular Dynamics (MD) Simulation ، Carbon Nanotubes (CNT) ، Triton X۱۰۰ Surfactant ، Radius of Gyration (Rg).