Thermodynamics of Water Entry in Hydrophobic Channels of Carbon Nanotubes

Details Thermodynamics of Water Entry in Hydrophobic Channels of Carbon Nanotubes Thermodynamics of Water Entry in Hydrophobic Channels of Carbon Nanotubes

2011-08-19

arxiv.org/abs/1108.3908v1

JCP,134,124105,(2011)

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

18 pages, 7 figures

Scientific paper

10.1063/1.3571007

Experiments and computer simulations demonstrate that water spontaneously fills the hydrophobic cavity of a carbon nanotube. To gain a quantitative thermody- namic understanding of this phenomenon, we use the recently developed Two Phase Thermodynamics (2PT) method to compute translational and rotational entropies of confined water molecules inside single-walled carbon nanotubes and show that the increase in energy of a water molecule inside the nanotube is compensated by the gain in its rotational entropy. The confined water is in equilibrium with the bulk wa- ter and the Helmholtz free energy per water molecule of confined water is the same as that in the bulk within the accuracy of the simulation results. A comparison of translational and rotational spectra of water molecules confined in carbon nanotubes with that of bulk water shows significant shifts in the positions of the spectral peaks that are directly related to the tube radius.

Affiliated with

Also associated with

No associations

Rating

Thermodynamics of Water Entry in Hydrophobic Channels of Carbon Nanotubes 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 Thermodynamics of Water Entry in Hydrophobic Channels of Carbon Nanotubes, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Thermodynamics of Water Entry in Hydrophobic Channels of Carbon Nanotubes will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-108012