Cited Article: Hummer, G. Water conduction through the hydrophobic channel of a carbon nanotube
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Number of Citing Articles: 1 new records this week (1 in this e-mail)
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Title:
Thermodynamics of water entry in hydrophobic channels of carbon nanotubes
Authors:
Kumar, H; Mukherjee, B; Lin, ST; Dasgupta, C; Sood, AK; Maiti, PK
Author Full Names:
Kumar, Hemant; Mukherjee, Biswaroop; Lin, Shiang-Tai; Dasgupta, Chandan; Sood, A. K.; Maiti, Prabal K.
Source:
JOURNAL OF CHEMICAL PHYSICS 134 (12): Art. No. 124105 MAR 28 2011
Language:
English
Document Type:
Article
KeyWords Plus:
MOLECULAR-DYNAMICS SIMULATIONS; MODEL; REORIENTATION; LIQUIDS; DNA
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]
Reprint Address:
Maiti, PK, Indian Inst Sci, Dept Phys, Ctr Condensed Matter Theory, Bangalore 560012, Karnataka, India.
Research Institution addresses:
[Kumar, Hemant; Mukherjee, Biswaroop; Dasgupta, Chandan; Maiti, Prabal K.] Indian Inst Sci, Dept Phys, Ctr Condensed Matter Theory, Bangalore 560012, Karnataka, India; [Lin, Shiang-Tai] Natl Taiwan Univ, Dept Chem Engn, Taipei 10617, Taiwan; [Sood, A. K.] Indian Inst Sci, Dept Phys, Bangalore 560012, Karnataka, India
E-mail Address:
maiti@physics.iisc.ernet.in
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Cited Reference Count:
28
Times Cited:
0
Publisher:
AMER INST PHYSICS; CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA
Subject Category:
Physics, Atomic, Molecular & Chemical
ISSN:
0021-9606
DOI:
10.1063/1.3571007
IDS Number:
745FN
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