Abstract
The adsorption of a polyethylene (PE) chain on two kinds of carbon nanotubes(CNTs) was studied by classic molecular dynamics simulation. The diffusion coefficient and interaction energy of PE chain and CNT were calculated. The structure of the PE chain was analyzed by the dihedral distributing function and the order parameters. The results show that the PE chain is adsorbed firmly on the CNT, and the structure and the position of the PE chain mostly depend on the temperature and radius of the CNT.
| Original language | English |
|---|---|
| Pages (from-to) | 2389-2392 |
| Number of pages | 4 |
| Journal | Kao Teng Hsueh Hsiao Hua Heush Hsueh Pao/ Chemical Journal of Chinese Universities |
| Volume | 29 |
| Issue number | 12 |
| Publication status | Published - Dec 2008 |
| Externally published | Yes |
Keywords
- Adsorption
- Carbon nanotube
- Molecular dynamics simulation
- Polyethylene