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:
Fundamental dynamics of flow through carbon nanotube membranes
Authors:
Cannon, J; Hess, O
Author Full Names:
Cannon, James; Hess, Ortwin
Source:
MICROFLUIDICS AND NANOFLUIDICS 8 (1): 21-31 JAN 2010
Language:
English
Document Type:
Article
Author Keywords:
Non-equilibrium molecular dynamics; Carbon nanotube; Membrane flow
KeyWords Plus:
MOLECULAR-DYNAMICS; TRANSPORT DIFFUSION; MASS-TRANSPORT; WATER; NONEQUILIBRIUM; FLUIDS; SIMULATION; MODEL
Abstract:
The flow of a model non-polar liquid through small carbon nanotubes is studied using non-equilibrium molecular dynamics simulation. We explain how a membrane of small-diameter nanotubes can transport this liquid faster than a membrane consisting of larger-diameter nanotubes. This effect is shown to be back-pressure dependent, and the reasons for this are explored. The flow through the very smallest nanotubes is shown to depend strongly on the depth of the potential inside, suggesting atomic separation can be based on carbon interaction strength as well as physical size. Finally, we demonstrate how increasing the back-pressure can counter-intuitively result in lower exit velocities from a nanotube. Such studies are crucial for optimisation of nanotube membranes.
Reprint Address:
Cannon, J, Univ Surrey, Adv Technol Inst, Dept Phys, Fac Engn & Phys Sci, Guildford GU2 7XH, Surrey, England.
Research Institution addresses:
[Cannon, James; Hess, Ortwin] Univ Surrey, Adv Technol Inst, Dept Phys, Fac Engn & Phys Sci, Guildford GU2 7XH, Surrey, England
E-mail Address:
j.cannon@surrey.ac.uk
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Cited Reference Count:
28
Times Cited:
0
Publisher:
SPRINGER HEIDELBERG; TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY
Subject Category:
Nanoscience & Nanotechnology; Instruments & Instrumentation; Physics, Fluids & Plasmas
ISSN:
1613-4982
DOI:
10.1007/s10404-009-0446-1
IDS Number:
524WM
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Title:
Anomalies of water and hydrogen bond dynamics in hydrophobic nanoconfinement
Authors:
Kumar, P; Han, SH; Stanley, HE
Author Full Names:
Kumar, Pradeep; Han, Sungho; Stanley, H. Eugene
Source:
JOURNAL OF PHYSICS-CONDENSED MATTER 21 (50): Art. No. 504108 DEC 16 2009
Language:
English
Document Type:
Article
KeyWords Plus:
DEPOLARIZED RAYLEIGH-SCATTERING; LIQUID WATER; CONFINED WATER; MOLECULAR-DYNAMICS; SLOW DYNAMICS; COMPUTER-SIMULATION; X-RAY; BEHAVIOR; HYDRATION; SURFACES
Abstract:
Using molecular dynamic (MD) simulations of the TIP5P model of water, we investigate the effect of hydrophobic confinement on the anomalies of liquid water. For confinement length Lz = 1.1 nm, such that there are 2-3 molecular layers of water, we find the presence of the bulk-like density and diffusion anomaly in the lateral directions. However, the lines of these anomalies in the P-T plane are shifted to lower temperatures (Delta T approximate to 40 K) and pressures compared to bulk water. Furthermore, we introduce a method to calculate the effective diffusion constant along the confinement direction and find that the diffusion anomaly is absent. Moreover, we investigate the hydrogen bond dynamics of confined water and find that the hydrogen bond dynamics preserves the characteristics of HB dynamics in bulk water, such as a non-exponential behavior followed by an exponential tail of HB lifetime probability distributions and an Arrhenius temperature dependence of the average!
HB lifetime. The average number and lifetime of HBs decrease in confined water compared to bulk water at the same temperature. This reduction may be the origin of the reasons for the different physical properties of confined water from bulk water, such as the 40 K temperature shift.
Reprint Address:
Kumar, P, Rockefeller Univ, Ctr Studies Phys & Biol, 1230 York Ave, New York, NY 10021 USA.
Research Institution addresses:
[Kumar, Pradeep] Rockefeller Univ, Ctr Studies Phys & Biol, New York, NY 10021 USA; [Han, Sungho; Stanley, H. Eugene] Boston Univ, Dept Phys, Boston, MA 02215 USA; [Han, Sungho; Stanley, H. Eugene] Boston Univ, Ctr Polymer Studies, Boston, MA 02215 USA
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68
Times Cited:
0
Publisher:
IOP PUBLISHING LTD; DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
Subject Category:
Physics, Condensed Matter
ISSN:
0953-8984
DOI:
10.1088/0953-8984/21/50/504108
IDS Number:
524SX
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Title:
Coaxial Cross-Diffusion through Carbon Nantoubes
Authors:
Rodriguez, J; Elola, MD; Laria, D
Author Full Names:
Rodriguez, Javier; Dolores Elola, M.; Laria, Daniel
Source:
JOURNAL OF PHYSICAL CHEMISTRY B 113 (45): 14844-14848 NOV 12 2009
Language:
English
Document Type:
Article
KeyWords Plus:
MOLECULAR-DYNAMICS SIMULATIONS; NANOTUBE MEMBRANES; LIQUID WATER; TRANSPORT; MIXTURES; PORES; MODEL
Abstract:
We present results from nonequilibrium molecular dynamics experiments describing the relaxation of local concentrations at two reservoirs, initially filled with water (W) and acetonitrile (ACN), as they become connected through a membrane composed of (16,16) carbon nanotubes. Within the hydrophobic nanotube cavities, the equilibrium concentrations contrast sharply to those observed at the reservoirs, with a clear enhancement of ACN, in detriment of W. From the dynamical side, the relaxation involves three well-differentiated stages; the first one corresponds to the equilibration of individual concentrations within the nanotubes. An intermediate interval with Fickian characteristics follows, during which the overall transport can be cast in terms of coaxial opposite fluxes, with a central water domain segregated from an external ACN shell, in close contact with the tube walls. We also found evidence of a third, much slower, mechanism to reach equilibration, which involves str!
uctural modifications of tightly bound solvation shells, in close contact with the nanotube rims.
Reprint Address:
Laria, D, Comis Nacl Energia Atom, Dept Fis, Ave Libertador 8250, RA-1429 Buenos Aires, DF, Argentina.
Research Institution addresses:
[Rodriguez, Javier; Dolores Elola, M.; Laria, Daniel] Comis Nacl Energia Atom, Dept Fis, RA-1429 Buenos Aires, DF, Argentina; [Rodriguez, Javier] UNSAM, ECyT, RA-1650 San Martin, Buenos Aires, Argentina; [Laria, Daniel] Univ Buenos Aires, Dept Quim Inorgan Analit & Quim Fis & INQUIMAE, Fac Ciencias Exactas & Nat, RA-1428 Buenos Aires, DF, Argentina
E-mail Address:
dhlaria@cnea.gov.ar
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Cited Reference Count:
47
Times Cited:
0
Publisher:
AMER CHEMICAL SOC; 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
Subject Category:
Chemistry, Physical
ISSN:
1520-6106
DOI:
10.1021/jp908791b
IDS Number:
514WY
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