Cited Article: Hummer, G. Water conduction through the hydrophobic channel of a carbon nanotube
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Title:
Transition to the Condensate State for Classical Gases and Clusterization
Authors:
Maslov, VP
Author Full Names:
Maslov, V. P.
Source:
MATHEMATICAL NOTES 84 (5-6): 795-813 NOV-DEC 2008
Language:
English
Document Type:
Article
Author Keywords:
Bose condensation; clusterization; dimer; scattering theory; Lennard-Jones potential; Maxwell distribution; neutral gas flow
KeyWords Plus:
CARBON NANOTUBES; PHASE-TRANSITION; QUASI-PARTICLES; FERMIONS; QUANTIZATION; BOSONS; WATER; LAW
Abstract:
In this paper, using of the rigorous statement and rigorous proof the Maxwell distribution as all example, we establish estimates of the distribution depending on the parameter N, the number of particles. Further, we consider the problem of the occurrence of dimers in a classical gas as an analog of Bose condensation and establish estimates of the lower level of the analog of Bose condensation. We find the relationship of this level to "capture" theory in the scattering problem corresponding to an interaction of the form of the Lennard-Jones potential. This also solves the problem of the Gibbs paradox. We derive the equation of state for a nonideal gas as a result of pair interactions of particles in Lennard-Jones models and, for classical gases, discuss the lambda-transition to the condensed state (the state in which V-spec does not vary with increasing pressure; for heat capacity, this is the lambda-point). We also present new quantum equations of the flow of a neutral gas!
consisting of particles with all odd number of neutrons in the capillaries in the Sutherland model.
Reprint Address:
Maslov, VP, Moscow MV Lomonosov State Univ, Moscow, Russia.
Research Institution addresses:
Moscow MV Lomonosov State Univ, Moscow, Russia
E-mail Address:
v.p.maslov@mail.ru
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Cited Reference Count:
36
Times Cited:
0
Publisher:
CONSULTANTS BUREAU/SPRINGER; 233 SPRING ST, NEW YORK, NY 10013 USA
Subject Category:
Mathematics
ISSN:
0001-4346
DOI:
10.1134/S0001434608110230
IDS Number:
400GI
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Title:
Effect of Surface Polarity on the Structure and Dynamics of Water in Nanoscale Confinement
Authors:
Castrillon, SRV; Giovambattista, N; Aksay, IA; Debenedetti, PG
Author Full Names:
Castrillon, Santiago Romero-Vargas; Giovambattista, Nicolas; Aksay, Ilhan A.; Debenedetti, Pablo G.
Source:
JOURNAL OF PHYSICAL CHEMISTRY B 113 (5): 1438-1446 FEB 5 2009
Language:
English
Document Type:
Article
KeyWords Plus:
HYDROGEN-BOND DYNAMICS; LIQUID WATER; MOLECULAR-DYNAMICS; NEUTRON-SCATTERING; GLASS-TRANSITION; HYDRATION LAYER; CARBON NANOTUBE; CELL WATER; SIMULATION; INTERFACES
Abstract:
We present a molecular dynamics simulation study of the structure and dynamics of water confined between silica surfaces using beta-cristobalite as a model template. We scale the surface Coulombic charges by means of a dimensionless number, k, ranging from 0 to 1, and thereby we can model systems ranging frorn hydrophobic apolar to hydrophilic, respectively. Both rotational and translational dynamics exhibit a nonmonotonic dependence on k characterized by a maximum in the in-plane diffusion coefficient, D-parallel to, at values between 0.6 and 0.8, and a minimum in the rotational relaxation time, tau(R), at k = 0.6. The slow dynamics observed in the proximity of the hydrophobic apolar surface are a consequence of beta-cristobalite templating an ice-like water layer. The fully hydrophilic surfaces (k = 1.0), on the other hand, result in slow interfacial dynamics due to the presence of dense but disordered water that forms strong hydrogen bonds with surface silanol groups. Con!
finement also induces decoupling between translational and rotational dynamics, as evidenced by the fact that TR attains values similar to that of the bulk, while D-parallel to is always lower than in the bulk. The decoupling is characterized by a more drastic reduction in the translational dynamics of water compared to rotational relaxation.
Reprint Address:
Debenedetti, PG, Princeton Univ, Dept Chem Engn, Princeton, NJ 08544 USA.
Research Institution addresses:
[Castrillon, Santiago Romero-Vargas; Giovambattista, Nicolas; Aksay, Ilhan A.; Debenedetti, Pablo G.] Princeton Univ, Dept Chem Engn, Princeton, NJ 08544 USA
E-mail Address:
pdebene@princeton.edu
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68
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/jp809032n
IDS Number:
400XL
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Title:
Temperature variation in liquid infiltration and defiltration in a MCM41
Authors:
Han, AJ; Lu, WY; Punyamurtula, VK; Kim, T; Qiao, Y
Author Full Names:
Han, Aijie; Lu, Weiyi; Punyamurtula, Venkata K.; Kim, Taewan; Qiao, Yu
Source:
JOURNAL OF APPLIED PHYSICS 105 (2): Art. No. 024309 JAN 15 2009
Language:
English
Document Type:
Article
Author Keywords:
calorimetry; melt infiltration; surface diffusion
KeyWords Plus:
CARBON NANOTUBES; MASS-TRANSPORT; PRESSURE; HYDRODYNAMICS; NANOFLUIDICS; MEMBRANES; SYSTEMS; SLIP; FLOW
Abstract:
In a calometric measurement of infiltration and defiltration of pressurized liquid in a hydrophobic MCM41, it is observed that in nanopores the energy change between solid and liquid phases is dependent on the direction of liquid motion: liquid infiltration is exothermic and liquid defiltration is endothermic. The sorption curves and the temperature variation are insensitive to the loading rate. The magnitude of temperature decrease in defiltration is smaller than the temperature increase in infiltration, fitting well with the hysteresis of the sorption curve. These phenomena can be attributed to the confinement effect of nanopore walls and the thermally/mechanically aided surface diffusion of liquid molecules.
Reprint Address:
Qiao, Y, Univ Calif San Diego, Dept Struct Engn, La Jolla, CA 92093 USA.
Research Institution addresses:
[Han, Aijie; Lu, Weiyi; Punyamurtula, Venkata K.; Qiao, Yu] Univ Calif San Diego, Dept Struct Engn, La Jolla, CA 92093 USA; [Kim, Taewan; Qiao, Yu] Univ Calif San Diego, Program Mat Sci & Engn, La Jolla, CA 92093 USA
E-mail Address:
yqiao@ucsd.edu
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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, Applied
ISSN:
0021-8979
DOI:
10.1063/1.3068328
IDS Number:
401VQ
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Title:
NON-EQUILIBRIUM STUDIES OF MOLECULAR FLOW THROUGH CARBON NANOTUBES
Authors:
Cannon, J; Hess, O
Author Full Names:
Cannon, James; Hess, Ortwin
Source:
PROCEEDINGS OF THE 6TH INTERNATIONAL CONFERENCE ON NANOCHANNELS, MICROCHANNELS, AND MINICHANNELS, PTS A AND B : 953-957 2008
Language:
English
Document Type:
Proceedings Paper
KeyWords Plus:
THERMAL-CONDUCTIVITY; SELF-DIFFUSION; DYNAMICS; HYDROGEN; LIQUID
Abstract:
Carbon nanotubes are likely to form an integral part of future nano-fluidic devices. In order to realise such devices, an understanding of the dynamics of molecular flow through nanotubes is crucial. We have conducted continuous-flow non-equilibrium molecular dynamics simulations of argon and hydrogen flow through nanotubes, in order to decipher the fundamental driving forces behind the flow dynamics, upon which the motions of more complex molecules are based. We detail the fundamental mechanisms of flow in the nano-confined space of a carbon nanotube, and demonstrate how this knowledge can be utilised to control the flow-rate and even convert from smooth to pulsed flow.
Reprint Address:
Cannon, J, Univ Surrey, Adv Technol Inst, Guildford GU2 7XH, Surrey, England.
Research Institution addresses:
[Cannon, James; Hess, Ortwin] Univ Surrey, Adv Technol Inst, Guildford GU2 7XH, Surrey, England
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23
Times Cited:
0
Publisher:
AMER SOC MECHANICAL ENGINEERS; THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
IDS Number:
BIU45
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Title:
Atomic, electronic and transport properties of quasi-one-dimensional nanostructures - art. no. 70370X
Authors:
Xue, YQ; Hmiel, A; Stiles, C
Author Full Names:
Xue, Yongqiang; Hmiel, Abraham; Stiles, Christopher
Source:
CARBON NANOTUBES AND ASSOCIATED DEVICES 7037: X370-X370 2008
Language:
English
Document Type:
Proceedings Paper
Author Keywords:
Nanostructures; Nanoelectronics; Nanofluidics
KeyWords Plus:
CARBON NANOTUBES; DYNAMICS
Abstract:
We present theoretical study of the atomic, electronic and transport properties of silicon nanowires and single-walled carbon nanotubes using atomistic simulation. For silicon nanowires, we present investigation of the atomic structure and electronic properties of ultra,thin nanowires with different surface structures and growth directions and the trend of such property variations with increasing nanowire diameters using density functional theory with both local atomic basis and plane waves. For single-walled carbon nanotubes, we present self-consistent tight-binding study of the electronic and transport properties of semiconducting carbon nanotubes in contact with metal electrodes. We discuss insights obtained from such atomistic study on the contact, and diameter dependence of junction conductance. Finally, we examine the application of single-walled carbon nanotubes as novel nanofluidic channels by analyzing the structure and kinetics of water molecules confined and trans!
ported through the nanotube channels using molecular dynamics simulation.
Reprint Address:
Xue, YQ, SUNY Albany, Coll Nanoscale Sci & Engn, Theoret Nanosci Grp, Albany, NY 12203 USA.
Research Institution addresses:
[Xue, Yongqiang; Hmiel, Abraham; Stiles, Christopher] SUNY Albany, Coll Nanoscale Sci & Engn, Theoret Nanosci Grp, Albany, NY 12203 USA
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Cited Reference Count:
24
Times Cited:
0
Publisher:
SPIE-INT SOC OPTICAL ENGINEERING; 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
ISSN:
0277-786X
IDS Number:
BIU60
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IDS customers can purchase the full text of an article (having page number,
volume, and issue information) by returning this ENTIRE message as a Reply
to Sender or Forward to orders@isidoc.com. Mark your choices with an X in
the "Order Full Text: []" brackets for each item. For example, [X].
Please enter your account number here:
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*Help Desk Contact Information*
If you have any questions, please visit the Thomson Scientific Technical Support Contact Information Web page:
http://www.thomsonscientific.com/support/techsupport
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