Cited Article: Majumder M. Nanoscale hydrodynamics - Enhanced flow in carbon nanotubes
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Title:
Water in single-walled aluminosilicate nanotubes: Diffusion and adsorption properties
Authors:
Konduri, S; Tong, HM; Chempath, S; Nair, S
Author Full Names:
Konduri, Suchitra; Tong, Ho Ming
Source:
JOURNAL OF PHYSICAL CHEMISTRY C 112 (39): 15367-15374 OCT 2 2008
Language:
English
Document Type:
Article
Keywords Plus:
MIXED-OXIDE NANOTUBES; CARBON NANOTUBES; MOLECULAR-DYNAMICS; TRANSPORT; MEMBRANES; ZEOLITES; SIMULATIONS; RESISTANCES; DIMENSIONS; SILICALITE
Abstract:
Single-walled aluminosilicate nanotubes are attractive materials for construction of nanofluidic devices. They have a well-defined structure, a hydrophilic interior with periodic wide and narrow regions, precisely tunable length and diameter, and a functionalizable interior for tuning mass transport and adsorption properties. We report a computational and experimental investigation that highlights the unique adsorption and diffusive water transport properties of these nanotubes. Axial self-diffusivities of water molecules (at loadings ranging from near-infinite dilution to near-saturation) are calculated by molecular dynamics (MD) simulations, whereas adsorption properties are computed with grand canonical Monte Carlo (GCMC) simulations and are also compared to experimental data. The transport diffusivities are evaluated through the Darken approximation. Water transport in these nanotubes at room temperature was observed to occur via Fickian diffusion. The self-diffusivity d!
ecreases with an increase in water content,. whereas the transport diffusivity exhibited a maximum at intermediate water content. The diffusivities were comparable to the diffusivity of bulk liquid water and hence are considerably higher than in other nanoporous aluminosilicates such as zeolites. The computed adsorption isotherms exhibited inflections at low partial pressures (similar to 6 mm Hg) with a large fraction of adsorption occurring in the pores of the nanotube displaying remarkable hydrophilicity. As a combined result of the relatively fast Fickian diffusion of water, hydrophilicity of the nanotubes, and short nanotube lengths, the diffusive water flux through an aluminosilicate nanotube film is predicted to be quite high (10(2)-10(3) mol m(-2) s(-1)), even at very low pressure differentials across the membrane.
Reprint Address:
Nair, S, Georgia Inst Technol, Sch Chem & Biomol Engn, 311 Ferst Dr NW, Atlanta, GA 30332 USA.
Research Institution addresses:
Georgia Inst Technol, Sch Chem & Biomol Engn, Atlanta, GA 30332 USA; Los Alamos Natl Lab, Theoret Chem & Mol Phys Grp, Los Alamos, NM 87545 USA
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Cited Reference Count:
38
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/jp8025144
IDS Number:
353FT
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