Friday, October 31, 2008

ISI Web of Knowledge Alert - Hummer, G

ISI Web of Knowledge Citation Alert (Solaris 2.1)

Cited Article: Hummer, G. Water conduction through the hydrophobic channel of a carbon nanotube
Alert Expires: 22 OCT 2009
Number of Citing Articles: 2 new records this week (2 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
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Title:
Diffusion and binding of finite-size particles in confined geometries

Authors:
Henle, ML; DiDonna, B; Santangelo, CD; Gopinathan, A

Author Full Names:
Henle, Mark L.; DiDonna, Brian

Source:
PHYSICAL REVIEW E 78 (3): Art. No. 031118 Part 1 SEP 2008

Language:
English

Document Type:
Article

Keywords Plus:
SIMPLE EXCLUSION PROCESS; SINGLE-FILE DIFFUSION; MICROFLUIDICS; TRANSPORT; ZEOLITES; CHANNELS; FLUIDS; PORES

Abstract:
Describing the diffusion of particles through crowded, confined environments with which they can interact is of considerable biological and technological interest. Under conditions where the confinement dimensions become comparable to the particle dimensions, steric interactions between particles, as well as particle-wall interactions, will play a crucial role in determining transport properties. To elucidate the effects of these interactions on particle transport, we consider the diffusion and binding of finite-size particles within a channel whose diameter is comparable to the size of the particles. Using a simple lattice model of this process, we calculate the steady-state current and density profiles of both bound and free particles in the channel. We show that the system can exhibit qualitatively different behavior depending on the ratio of the channel width to the particle size. We also perform simulations of this system and find excellent agreement with our analytic r!
esults.

Reprint Address:
Henle, ML, Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90025 USA.

Research Institution addresses:
Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90025 USA; Stellar Sci, Albuquerque, NM 87110 USA; Univ Massachusetts, Dept Phys, Amherst, MA 01003 USA; Univ Calif, Sch Nat Sci, Merced, CA 95344 USA

Cited References:
BEREZHKOVSKII A, 2002, PHYS REV LETT, V89, ARTN 064503.
CHOU T, 1998, PHYS REV LETT, V80, P85.
CHOU T, 1999, PHYS REV LETT, V82, P3552.
DERRIDA B, 1993, J PHYS A-MATH GEN, V26, P1493.
DERRIDA B, 1998, PHYS REP, V301, P65.
DERRIDA B, 2002, J STAT PHYS, V107, P599.
FICK A, 1855, POGG ANN, V94, P59.
GORLICH D, 1999, ANNU REV CELL DEV BI, V15, P607.
HILLE B, 2001, ION CHANNELS EXCITAB.
HUMMER G, 2001, NATURE, V414, P188.
JACOBS MH, 1967, DIFFUSION PROCESSES.
KALINAY P, 2005, PHYS REV E 1, V72, ARTN 061203.
KALINAY P, 2006, PHYS REV E 1, V74, ARTN 041203.
KARGER J, 1992, DIFFUSION ZEOLITES O.
KUKLA V, 1996, SCIENCE, V272, P702.
KUTNER R, 1984, PHYS REV B, V30, P4382.
LEVITT DG, 1973, PHYS REV A, V8, P3050.
LIGGETT TM, 1999, STOCHASTIC INTERACTI.
LIN BH, 2005, PHYS REV LETT, V94, ARTN 216001.
MAKAMBA H, 2003, ELECTROPHORESIS, V24, P3607, DOI 10.1002/elps.200305627.
MON KK, 2002, J CHEM PHYS, V117, P2289.
NIKAIDO H, 2003, MICROBIOL MOL BIOL R, V67, P593, DOI 10.1128/MMBR.67.4.593-656.2003.
ODDE D, 1998, EUR BIOPHYS J BIOPHY, V27, P514.
POPKOV V, 2001, PHYS REV E 2, V64, ARTN 026126.
POPKOV V, 2004, J PHYS A-MATH GEN, V37, P1545.
PRIES AR, 1996, CARDIOVASC RES, V32, P654.
PRONINA E, 2004, J PHYS A-MATH GEN, V37, P9907, DOI 10.1088/0305-4470/37/42/005.
REGUERA D, 2001, PHYS REV E 1, V64, ARTN 061106.
ROSS JL, 2003, BIOPHYS J, V84, P3959.
RUSTOM A, 2004, SCIENCE, V303, P1007.
SCHUTZ GM, 1997, J STAT PHYS, V88, P427.
SPITZER F, 1970, ADV MATH, V5, P246.
SQUIRES TM, 2005, REV MOD PHYS, V77, P977.
STONE HA, 2004, ANNU REV FLUID MECH, V36, P381, DOI 10.1146/annurev.fluid.36.050802.122124.
SUNTHARALINGAM M, 2003, DEV CELL, V4, P775.
TAY FEH, 2002, MICROFLUIDICS BIOMEM.
WEI QH, 2000, SCIENCE, V287, P625.
ZWANZIG R, 1992, J PHYS CHEM-US, V96, P3926.

Cited Reference Count:
38

Times Cited:
0

Publisher:
AMER PHYSICAL SOC; ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA

Subject Category:
Physics, Fluids & Plasmas; Physics, Mathematical

ISSN:
1539-3755

DOI:
10.1103/PhysRevE.78.031118

IDS Number:
355BD

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Title:
The thermal effect on vibration and instability of carbon nanotubes conveying fluid

Authors:
Wang, L; Ni, Q; Li, M; Qian, Q

Author Full Names:
Wang, L.; Ni, Q.

Source:
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES 40 (10): 3179-3182 SEP 2008

Language:
English

Document Type:
Article

Author Keywords:
carbon nanotube conveying fluid; temperature change; instability; critical flow velocity

Keywords Plus:
TEMPERATURE-CHANGE; STORAGE; FLOW

Abstract:
Based on the theory of thermal elasticity mechanics, an elastic Bernoulli-Euler beam model is developed for vibration and instability analysis of fluid-conveying single-walled carbon nanotubes (SWNTs) considering the thermal effect. Results are demonstrated for the dependence of natural frequencies on the flow velocity as well as temperature change. The influence of temperature change on the critical flow velocity at which buckling instability occurs is investigated. It is concluded that the effect of temperature change on the instability of SWNTs conveying fluid is significant. (C) 2008 Elsevier B.V. All rights reserved.

Reprint Address:
Wang, L, Huazhong Univ Sci & Technol, Dept Mech, Wuhan 430074, Peoples R China.

Research Institution addresses:
Huazhong Univ Sci & Technol, Dept Mech, Wuhan 430074, Peoples R China; Wuhan Inst Technol, Sch Mech Engn, Wuhan 430074, Peoples R China

E-mail Address:
wanglinfliping@sohu.com

Cited References:
BERT CW, 1996, APPL MECH REV, V49, P1.
CHE GL, 1998, NATURE, V393, P346.
EVANS E, 1996, SCIENCE, V273, P933.
FU YM, 2006, J SOUND VIB, V296, P746, DOI 10.1016/j.jsv.2006.02.024.
GAO YH, 2002, NATURE, V415, P599.
GARG A, 1998, PHYS REV LETT, V81, P2260.
GOGOTSI Y, 2001, APPL PHYS LETT, V79, P1021.
HUMMER G, 2001, NATURE, V414, P188.
JIANG H, 2004, J ENG MATER-T ASME, V126, P265, DOI 10.1115/1.1752925.
LI J, 2003, J CHEM PHYS, V119, P2376, DOI 10.1063/1.1582831.
LIU J, 1998, SCIENCE, V280, P1253.
NI Q, 2005, ACTA MECH SOLIDA SIN, V18, P207, DOI 10.1007/s10338-005-0526-z.
NI Q, 2006, COMPUT STRUCT, V84, P708.
PONCHARAL P, 1999, SCIENCE, V283, P1513.
REDDY CD, 2007, APPL PHYS LETT, V90, ARTN 133122.
SKOULIDAS AI, 2002, PHYS REV LETT, V89, ARTN 185901.
TUZUN RE, 1996, NANOTECHNOLOGY, V7, P241.
WANG L, 2008, COMP MATER SCI, DOI 10.1016/J.COMMATSCI.2008.01.004.
WANG L, 2008, COMPUT STRUCT, V86, P133.
WONG EW, 1997, SCIENCE, V277, P1971.
YAO XH, 2006, J ENG MATER-T ASME, V128, P419, DOI 10.1115/1.2203102.
YOON J, 2005, COMPOS SCI TECHNOL, V65, P1326, DOI 10.1016/j.compscitech.2004.12.002.
YOON J, 2006, INT J SOLIDS STRUCT, V43, P3337, DOI 10.1016/j.ijsolstr.2005.04.039.
ZHANG YQ, 2008, PHYS LETT A, V372, P1676, DOI 10.1016/j.physleta.2007.10.033.

Cited Reference Count:
24

Times Cited:
0

Publisher:
ELSEVIER SCIENCE BV; PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS

Subject Category:
Nanoscience & Nanotechnology; Physics, Condensed Matter

ISSN:
1386-9477

DOI:
10.1016/j.physe.2008.05.009

IDS Number:
355NO

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ISI Web of Knowledge Alert - aluru

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Title:
Water phase transition induced by a Stone-Wales defect in a boron nitride nanotube

Authors:
Won, CY; Aluru, NR

Author Full Names:
Won, Chang Y.; Aluru, N. R.

Source:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 130 (41): 13649-13652 OCT 15 2008

Language:
English

ISSN:
0002-7863

DOI:
10.1021/ja803245d

IDS Number:
358NK

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ISI Web of Knowledge Alert - hummer

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Title:
Water phase transition induced by a Stone-Wales defect in a boron nitride nanotube

Authors:
Won, CY; Aluru, NR

Author Full Names:
Won, Chang Y.; Aluru, N. R.

Source:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 130 (41): 13649-13652 OCT 15 2008

Language:
English

ISSN:
0002-7863

DOI:
10.1021/ja803245d

IDS Number:
358NK

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Title:
Water phase transition induced by a Stone-Wales defect in a boron nitride nanotube

Authors:
Won, CY; Aluru, NR

Author Full Names:
Won, Chang Y.; Aluru, N. R.

Source:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 130 (41): 13649-13652 OCT 15 2008

Language:
English

ISSN:
0002-7863

DOI:
10.1021/ja803245d

IDS Number:
358NK

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Title:
Water phase transition induced by a Stone-Wales defect in a boron nitride nanotube

Authors:
Won, CY; Aluru, NR

Author Full Names:
Won, Chang Y.; Aluru, N. R.

Source:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 130 (41): 13649-13652 OCT 15 2008

Language:
English

ISSN:
0002-7863

DOI:
10.1021/ja803245d

IDS Number:
358NK

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Title:
Water phase transition induced by a Stone-Wales defect in a boron nitride nanotube

Authors:
Won, CY; Aluru, NR

Author Full Names:
Won, Chang Y.; Aluru, N. R.

Source:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 130 (41): 13649-13652 OCT 15 2008

Language:
English

ISSN:
0002-7863

DOI:
10.1021/ja803245d

IDS Number:
358NK

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Title:
Water phase transition induced by a Stone-Wales defect in a boron nitride nanotube

Authors:
Won, CY; Aluru, NR

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Won, Chang Y.; Aluru, N. R.

Source:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 130 (41): 13649-13652 OCT 15 2008

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10.1021/ja803245d

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Title:
Water phase transition induced by a Stone-Wales defect in a boron nitride nanotube

Authors:
Won, CY; Aluru, NR

Author Full Names:
Won, Chang Y.; Aluru, N. R.

Source:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 130 (41): 13649-13652 OCT 15 2008

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0002-7863

DOI:
10.1021/ja803245d

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Title:
Water phase transition induced by a Stone-Wales defect in a boron nitride nanotube

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Won, CY; Aluru, NR

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Source:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 130 (41): 13649-13652 OCT 15 2008

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0002-7863

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10.1021/ja803245d

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Title:
Water phase transition induced by a Stone-Wales defect in a boron nitride nanotube

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Won, CY; Aluru, NR

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Source:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 130 (41): 13649-13652 OCT 15 2008

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0002-7863

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10.1021/ja803245d

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Water phase transition induced by a Stone-Wales defect in a boron nitride nanotube

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JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 130 (41): 13649-13652 OCT 15 2008

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0002-7863

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10.1021/ja803245d

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Title:
Water phase transition induced by a Stone-Wales defect in a boron nitride nanotube

Authors:
Won, CY; Aluru, NR

Author Full Names:
Won, Chang Y.; Aluru, N. R.

Source:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 130 (41): 13649-13652 OCT 15 2008

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English

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0002-7863

DOI:
10.1021/ja803245d

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Title:
Water phase transition induced by a Stone-Wales defect in a boron nitride nanotube

Authors:
Won, CY; Aluru, NR

Author Full Names:
Won, Chang Y.; Aluru, N. R.

Source:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 130 (41): 13649-13652 OCT 15 2008

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0002-7863

DOI:
10.1021/ja803245d

IDS Number:
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Friday, October 24, 2008

ISI Web of Knowledge Alert - Hummer, G

ISI Web of Knowledge Citation Alert (Solaris 2.1)

Cited Article: Hummer, G. Water conduction through the hydrophobic channel of a carbon nanotube
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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

Cited References:
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FENNELL CJ, 2006, J CHEM PHYS, V124, ARTN 234104.
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HUMMER G, 2001, NATURE, V414, P188.
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KALRA A, 2003, P NATL ACAD SCI USA, V100, P10175.
KLINKE C, 2005, PHYS REV B, V71, ARTN 035403.
KOGA K, 2001, NATURE, V412, P802.
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KOLESNIKOV AI, 2004, PHYS REV LETT, V93, ARTN 035503.
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KRISHNA R, 2003, SEP PURIF TECHNOL, V33, P213, DOI 10.1016/S1383-5866(03)00008-X.
LALIK E, 2006, CATAL TODAY, V114, P242, DOI 10.1016/j.cattod.2006.01.006.
LEE SM, 2000, APPL PHYS LETT, V76, P2877.
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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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Title:
Bacterial mechanosensitive channels: Experiment and theory

Authors:
Corry, B; Martinac, B

Author Full Names:
Corry, Ben; Martinac, Boris

Source:
BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES 1778 (9): 1859-1870 SEP 2008

Language:
English

Document Type:
Review

Author Keywords:
MS channels; patch clamp; bilayer model; mechanosensory transduction; EPR spectroscopy; FRET; molecular dynamics; Brownian dynamics

Keywords Plus:
MOLECULAR-DYNAMICS SIMULATIONS; SMALL-CONDUCTANCE MSCS; ESCHERICHIA-COLI MSCS; ION-CHANNEL; GATING MECHANISM; PATCH-CLAMP; FUNCTIONAL RECONSTITUTION; BROWNIAN DYNAMICS; MYCOBACTERIUM-TUBERCULOSIS; ACETYLCHOLINE-RECEPTOR

Abstract:
Since their discovery in Escherichia coli some 20 years ago, studies of bacterial mechanosensitive (MS) ion channels have been at the forefront of the MS channel research field. Two major events greatly advanced the research on bacterial MS channels: (i) cloning of MscL and MscS, the MS channels of Large and Small conductance, and (ii) solving their 3D crystal structure. These events enabled further experimental studies employing EPR and FRET spectroscopy in addition to patch clamp and molecular biological techniques that have successfully been used in characterization of the structure and function of bacterial NIS channels. In parallel with the experimental studies computational modelling has been applied to elucidate the molecular dynamics of MscL and MscS, which has significantly contributed to our understanding of basic physical principles of the mechanosensory transduction in living organisms. (C) 2007 Elsevier B.V. All rights reserved.

Reprint Address:
Martinac, B, Univ Queensland, Sch Biomed Sci, Brisbane, Qld 4072, Australia.

Research Institution addresses:
Univ Queensland, Sch Biomed Sci, Brisbane, Qld 4072, Australia; Univ Western Australia, Sch Biomed Biomol & Chem Sci, Crawley, WA 6008, Australia

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Cited Reference Count:
101

Times Cited:
0

Publisher:
ELSEVIER SCIENCE BV; PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS

Subject Category:
Biochemistry & Molecular Biology; Biophysics

ISSN:
0005-2736

DOI:
10.1016/j.bbamem.2007.06.022

IDS Number:
357WF

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ISI Web of Knowledge Alert - Thompson, P

ISI Web of Knowledge Citation Alert (Solaris 2.1)
Cited Article:   Thompson, P. A general boundary condition for liquid flow at solid surfaces
Alert Expires:   21 OCT 2009
Number of Citing Articles:   1 new records this week (1 in this e-mail)
Organization ID:   3b97d1bbc1878baed0ab183d8b03130b

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Title: Numerical study on gas-liquid nano-flows with pseudo-particle modeling and soft-particle molecular dynamics simulation
Authors: Chen, FG; Ge, W; Wang, LM; Li, JH
Author Full Names: Chen, Feiguo
Source: MICROFLUIDICS AND NANOFLUIDICS 5 (5): 639-653 NOV 2008
Language: English
Document Type: Article
Author Keywords: gas-liquid two-phase flow; nano-flow; molecular dynamics; pseudo-particle modeling
Keywords Plus: CARBON NANOTUBES; CIRCULAR-CYLINDER; 2-PHASE FLOW; MICROCHANNELS; CHANNEL; SYSTEMS; SURFACES; FLUIDS; ARGON
Abstract: We couple pseudo-particle modeling (PPM, Ge and Li in Chem Eng Sci 58(8):1565-1585, 2003), a variant of hard-particle molecular dynamics, with standard soft-particle molecular dynamics (MD) to study an idealized gas-liquid flow in nano-channels. The coupling helps to keep sharp contrast between gas and liquid behaviors and the simulations conducted provide a reference frame for exploring more complex and realistic gas-liquid nano-flows. The qualitative nature and general flow patterns of the flow under such extreme conditions are found to be consistent with its macro-scale counterpart.
Reprint Address: Ge, W, Chinese Acad Sci, Inst Proc Engn, Beijing 100190, Peoples R China.
Research Institution addresses: Chinese Acad Sci, Inst Proc Engn, Beijing 100190, Peoples R China; Chinese Acad Sci, Grad Univ, Beijing 100039, Peoples R China
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Cited Reference Count: 39
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/s10404-008-0280-x
IDS Number: 352FZ

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ISI Web of Knowledge Alert - Majumder M

ISI Web of Knowledge Citation Alert (Solaris 2.1)

Cited Article: Majumder M. Nanoscale hydrodynamics - Enhanced flow in carbon nanotubes
Alert Expires: 18 OCT 2009
Number of Citing Articles: 1 new records this week (1 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
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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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STRIOLO A, 2006, NANO LETT, V6, P633, DOI 10.1021/nl052254u.

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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ISI Web of Knowledge Alert - Holt JK

ISI Web of Knowledge Citation Alert (Solaris 2.1)

Cited Article: Holt JK. Fast mass transport through sub-2-nanometer carbon nanotubes
Alert Expires: 18 OCT 2009
Number of Citing Articles: 1 new records this week (1 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
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*Order Full Text [ ]
AU Konduri, S
Tong, HM
Chempath, S
Nair, S
AF Konduri, Suchitra
Tong, Ho Ming
TI Water in single-walled aluminosilicate nanotubes: Diffusion and
adsorption properties
SO JOURNAL OF PHYSICAL CHEMISTRY C
LA English
DT Article
ID MIXED-OXIDE NANOTUBES; CARBON NANOTUBES; MOLECULAR-DYNAMICS; TRANSPORT;
MEMBRANES; ZEOLITES; SIMULATIONS; RESISTANCES; DIMENSIONS; SILICALITE
AB 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 decreases 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.
C1 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.
RP Nair, S, Georgia Inst Technol, Sch Chem & Biomol Engn, 311 Ferst Dr NW,
Atlanta, GA 30332 USA.
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PAOLI H, 2002, MICROPOR MESOPOR MAT, V55, P147
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STRIOLO A, 2006, NANO LETT, V6, P633, DOI 10.1021/nl052254u
NR 38
TC 0
PU AMER CHEMICAL SOC; 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1932-7447
DI 10.1021/jp8025144
PD OCT 2
PY 2008
VL 112
IS 39
BP 15367
EP 15374
SC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science,
Multidisciplinary
GA 353FT
UT ISI:000259552200045
ER

EF

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