Abstract
We study the behavior of water droplets confined in a carbon nanotube by means of parallel molecular dynamics simulations. We report radial density profiles, radial hydrogen bond distributions, and contact angles for tube radii ranging from 12.5 to 37.5 Å and for droplets containing up to 4632 water molecules. Our results indicate nonwetting behavior of the pristine CNT at room temperatures.
Original language | English |
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Journal | Nano Letters |
Volume | 1 |
Issue number | 12 |
Pages (from-to) | 697-702 |
ISSN | 1530-6984 |
DOIs | |
Publication status | Published - 2001 |
Externally published | Yes |