@article{ISI:000289151400010,
 abstract = {Experiments and computer simulations demonstrate that water
spontaneously fills the hydrophobic cavity of a carbon nanotube. To gain
a quantitative thermodynamic understanding of this phenomenon, we use
the recently developed two phase thermodynamics 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 water 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. (C) 2011 American
Institute of Physics. [doi:10.1063/1.3571007]},
 article-number = {124105},
 author = {Kumar, Hemant and Mukherjee, Biswaroop and Lin, Shiang-Tai and Dasgupta,
Chandan and Sood, A. K. and Maiti, Prabal K.},
 doi = {10.1063/1.3571007},
 eissn = {1089-7690},
 issn = {0021-9606},
 journal = {JOURNAL OF CHEMICAL PHYSICS},
 month = {MAR 28},
 number = {12},
 orcid-numbers = {Maiti, Prabal/0000-0002-9956-1136
Kumar, Arun/0000-0001-8422-0219
Lin, Shiang-Tai/0000-0001-8513-8196
Dasgupta, Chandan/0000-0002-0302-1881
Kumar, Hemant/0000-0003-4339-5711},
 researcherid-numbers = {Kumar, Hemant/F-3331-2013
Maiti, Prabal/B-6335-2009
Kumar, Arun/C-9149-2009
Lin, Shiang-Tai/A-6005-2008
},
 times-cited = {66},
 title = {Thermodynamics of water entry in hydrophobic channels of carbon
nanotubes},
 unique-id = {ISI:000289151400010},
 volume = {134},
 year = {2011}
}