Cited Article: Hummer, G. Water conduction through the hydrophobic channel of a carbon nanotube
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Number of Citing Articles: 3 new records this week (3 in this e-mail)
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Title:
Electrolyte solution transport in electropolar nanotubes
Authors:
Zhao, JB; Culligan, PJ; Qiao, Y; Zhou, QL; Li, YB; Tak, M; Park, T; Chen, X
Author Full Names:
Zhao, Jianbing; Culligan, Patricia J.; Qiao, Yu; Zhou, Qulan; Li, Yibing; Tak, Moonho; Park, Taehyo; Chen, Xi
Source:
JOURNAL OF PHYSICS-CONDENSED MATTER 22 (31): Art. No. 315301 AUG 11 2010
Language:
English
Document Type:
Article
KeyWords Plus:
MONTE-CARLO SIMULATIONS; NANOPOROUS SILICA-GEL; MOLECULAR-DYNAMICS; CARBON NANOTUBES; INFILTRATION PRESSURE; POTENTIAL FUNCTIONS; SURFACE-TREATMENT; WATER; NANOFLUIDICS; CHANNELS
Abstract:
Electrolyte transport in nanochannels plays an important role in a number of emerging areas. Using non-equilibrium molecular dynamics (NEMD) simulations, the fundamental transport behavior of an electrolyte/water solution in a confined model nanoenvironment is systematically investigated by varying the nanochannel dimension, solid phase, electrolyte phase, ion concentration and transport rate. It is found that the shear resistance encountered by the nanofluid strongly depends on these material/system parameters; furthermore, several effects are coupled. The mechanisms of the nanofluidic transport characteristics are explained by considering the unique molecular/ion structure formed inside the nanochannel. The lower shear resistance observed in some of the systems studies could be beneficial for nanoconductors, while the higher shear resistance (or higher effective viscosity) observed in other systems might enhance the performance of energy dissipation devices.
Reprint Address:
Culligan, PJ, Columbia Univ, Sch Engn & Appl Sci, Dept Earth & Environm Engn, New York, NY 10027 USA.
Research Institution addresses:
[Zhao, Jianbing; Culligan, Patricia J.; Chen, Xi] Columbia Univ, Sch Engn & Appl Sci, Dept Earth & Environm Engn, New York, NY 10027 USA; [Qiao, Yu] Univ Calif San Diego, Dept Struct Engn, La Jolla, CA 92093 USA; [Zhou, Qulan] Xi An Jiao Tong Univ, State Key Lab Multiphase Flow Power Engn, Xian 710049, Peoples R China; [Li, Yibing] Tsinghua Univ, Dept Automot Engn, State Key Lab Automot Safety & Energy, Beijing 100084, Peoples R China; [Tak, Moonho; Park, Taehyo; Chen, Xi] Hanyang Univ, Dept Civil & Environm Engn, Seoul 133791, South Korea; [Chen, Xi] Xi An Jiao Tong Univ, Sch Aerosp, Xian 710049, Peoples R China
E-mail Address:
pjc2104@columbia.edu; xichen@columbia.edu
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Cited Reference Count:
59
Times Cited:
0
Publisher:
IOP PUBLISHING LTD; DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
Subject Category:
Physics, Condensed Matter
ISSN:
0953-8984
DOI:
10.1088/0953-8984/22/31/315301
IDS Number:
626VV
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Title:
Molecular Simulation of Ion-Specific Effects in Confined Electrolyte Solutions Using Polarizable Forcefields
Authors:
Cazade, PA; Dweik, J; Coasne, B; Henn, F; Palmeri, J
Author Full Names:
Cazade, P. -A.; Dweik, J.; Coasne, B.; Henn, F.; Palmeri, J.
Source:
JOURNAL OF PHYSICAL CHEMISTRY C 114 (28): 12245-12257 JUL 22 2010
Language:
English
Document Type:
Article
KeyWords Plus:
CARBON NANOTUBE MEMBRANES; DYNAMICS SIMULATIONS; NEUTRON-DIFFRACTION; AQUEOUS-SOLUTIONS; HYDROPHOBIC SURFACES; COMPUTER-SIMULATION; AIR/WATER INTERFACE; HYDRATION STRUCTURE; LIQUID INTERFACE; SODIUM-CHLORIDE
Abstract:
This paper reports on a molecular dynamics study of aqueous electrolyte solutions confined in hydrophobic nanopores. We examined for the first time the effect of the size and polarizability of the ions on the structure and dynamics of the confined electrolyte solution by considering the series of sodium halides (NaX with X = F, Cl, Br, and I). We also address the effect of pore size by varying the diameter of the nanochannel. As far as structural properties are concerned, the behavior of the NaF electrolyte solution significantly differs from that of the other sodium halide solutions. Because of their small size, Na and F in NaF are found to be significantly solvated by water. In addition, due to steric and hydrophobic effects [Chandler, D. Nature 2005, 437, 640], Cl, Br, and I tend to be repelled from the regions where the density of water is larger. Ion-specific effects on the dynamics of water and ions are found to be minimized when the electrolyte solution is confined at!
the nanoscale in comparison to bulk water and the water-air interface. For instance, both the data for water and the ionic species indicate that the ratio of the self-diffusivity for the confined solution to that for the bulk is independent of the nature of the anion F, Cl, Br, and I. Moreover, while the average solvation times for Na in NaF and Na in NaX (X = Cl, Br, I) significantly differ for bulk electrolyte solutions, they turn out to be very similar for the confined solutions. Such a leveling of the dynamical properties of the electrolyte solutions due to confinement is also observed on the pairing of the anions and cations.
Reprint Address:
Coasne, B, Univ Montpellier, ENSCM, CNRS, Inst Charles Gerhardt Montpellier,UMR 5253, 8 Rue Ecole Normale, F-34296 Montpellier 05, France.
Research Institution addresses:
[Cazade, P. -A.; Coasne, B.; Henn, F.] Univ Montpellier, ENSCM, CNRS, Inst Charles Gerhardt Montpellier,UMR 5253, F-34296 Montpellier 05, France; [Dweik, J.] Univ Montpellier, CNRS, UMR 5635, Inst Europeen Membranes, F-34095 Montpellier, France; [Palmeri, J.] Univ Toulouse 3, CNRS, IRSAMC, Phys Theor Lab,UMR 5152, F-31062 Toulouse 4, France
E-mail Address:
benoit.coasne@enscm.fr
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Cited Reference Count:
109
Times Cited:
0
Publisher:
AMER CHEMICAL SOC; 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
Subject Category:
Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary
ISSN:
1932-7447
DOI:
10.1021/jp103880s
IDS Number:
624AD
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Title:
Synthesis and Applications of Water Nanotubes
Authors:
Maniwa, Y; Kataura, H
Author Full Names:
Maniwa, Yutaka; Kataura, Hiromichi
Source:
INORGANIC AND METALLIC NANOTUBULAR MATERIALS: RECENT TECHNOLOGIES AND APPLICATIONS 117: 247-259 2010
Language:
English
Document Type:
Review
KeyWords Plus:
WALLED CARBON NANOTUBES; X-RAY-DIFFRACTION; ICE-NANOTUBES; TRANSITION; ADSORPTION
Abstract:
Characteristics of a material system strongly confined in a certain spatial region with nanometer dimension are not only dependent, on the number of atoms (molecules) but rather extremely dependent on the shape and dimensionality of the limited space. This chapter reports that a new tubularshaped ice, referred to as an ice nanotube (ice NT) is formed in the cylindrical cavity of a single-walled carbon nanotube (SWCNT) and that the ice NT exhibits an abnormal inching point dependency on the cavity diameter. Possible applications and "exchange transition" found in gas atmosphere are also briefly discussed.
Reprint Address:
Maniwa, Y, Tokyo Metropolitan Univ, Fac Sci, Dept Phys, Tokyo 1920397, Japan.
Research Institution addresses:
[Maniwa, Yutaka] Tokyo Metropolitan Univ, Fac Sci, Dept Phys, Tokyo 1920397, Japan; [Maniwa, Yutaka; Kataura, Hiromichi] CREST, JST, Kawaguchi, Saitama 3320012, Japan; [Kataura, Hiromichi] Natl Inst Adv Ind Sci & Technol, Nanotechnol Res Inst, Tsukuba, Ibaraki 3058562, Japan
E-mail Address:
maniwa@phys.metro-u.ac.jp; h-kataura@aist.go.jp
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Cited Reference Count:
29
Times Cited:
0
Publisher:
SPRINGER-VERLAG BERLIN; HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
ISSN:
0303-4216
DOI:
10.1007/978-3-642-03622-4_18
IDS Number:
BPS06
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