Radius and chirality dependent conformation of polymer molecule at nanotube interface

Details Radius and chirality dependent conformation of polymer molecule at nanotube interface Radius and chirality dependent conformation of polymer molecule at nanotube interface

2006-04-07

arxiv.org/abs/cond-mat/0604209v1

Physics

Condensed Matter

Materials Science

19 pages, 7 figure2, submitted to journal

Scientific paper

Temperature dependent conformations of linear polymer molecules adsorbed at carbon nanotube (CNT) interfaces are investigated through molecule dynamics simulations. Model polyethylene (PE) molecules are shown to have selective conformations on CNT surface, controlled by atomic structures of CNT lattice and geometric coiling energy. PE molecules form entropy driven assembly domains, and their preferred wrapping angles around large radius CNT (40, 40) reflect the molecule configurations with energy minimums on a graphite plane. While PE molecules prefer wrapping on small radius armchair CNT (5, 5) predominantly at low temperatures, their configurations are shifted to larger wrapping angle ones on a similar radius zigzag CNT (10, 0). A nematic transformation around 280 K is identified through Landau-deGennes theory, with molecule aligning along tube axis in extended conformations

Affiliated with

Also associated with

No associations

Rating

Radius and chirality dependent conformation of polymer molecule at nanotube interface does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Radius and chirality dependent conformation of polymer molecule at nanotube interface, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Radius and chirality dependent conformation of polymer molecule at nanotube interface will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-723641