Thursday, December 17, 2009

ISI Web of Knowledge Alert - Majumder M

ISI Web of Knowledge Citation Alert

Cited Article: Majumder M. Nanoscale hydrodynamics - Enhanced flow in carbon nanotubes
Alert Expires: 09 NOV 2010
Number of Citing Articles: 6 new records this week (6 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
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Title:
Principles and applications of nanofluidic transport

Authors:
Sparreboom, W; van den Berg, A; Eijkel, JCT

Author Full Names:
Sparreboom, W.; van den Berg, A.; Eijkel, J. C. T.

Source:
NATURE NANOTECHNOLOGY 4 (11): 713-720 NOV 2009

Language:
English

Document Type:
Review

KeyWords Plus:
ELECTROKINETIC ENERGY-CONVERSION; PRESSURE-DRIVEN TRANSPORT; HYDRODYNAMIC CHROMATOGRAPHY; CONCENTRATION POLARIZATION; HYDROPHOBIC SURFACES; SILICA-NANOCHANNELS; CARBON NANOTUBES; POWER-GENERATION; DNA-MOLECULES; ION-TRANSPORT

Abstract:
The evolution from microfluidic to nanofluidic systems has been accompanied by the emergence of new fluid phenomena and the potential for new nanofluidic devices. This review provides an introduction to the theory of nanofluidic transport, focusing on the various forces that influence the movement of both solvents and solutes through nanochannels,and reviews the applications of nanofluidic devices in separation science and energy conversion.

Reprint Address:
Sparreboom, W, Univ Twente, MESA Inst Nanotechnol, BIOS Lab Chip Grp, POB 217, NL-7500 AE Enschede, Netherlands.

Research Institution addresses:
[Sparreboom, W.; van den Berg, A.; Eijkel, J. C. T.] Univ Twente, MESA Inst Nanotechnol, BIOS Lab Chip Grp, NL-7500 AE Enschede, Netherlands

E-mail Address:
w.sparreboom@utwente.nl

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Cited Reference Count:
103

Times Cited:
0

Publisher:
NATURE PUBLISHING GROUP; MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND

Subject Category:
Nanoscience & Nanotechnology; Materials Science, Multidisciplinary

ISSN:
1748-3387

DOI:
10.1038/NNANO.2009.332

IDS Number:
528AW

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Title:
An efficient tool for modeling and predicting fluid flow in nanochannels

Authors:
Ahadian, S; Mizuseki, H; Kawazoe, Y

Author Full Names:
Ahadian, Samad; Mizuseki, Hiroshi; Kawazoe, Yoshiyuki

Source:
JOURNAL OF CHEMICAL PHYSICS 131 (18): Art. No. 184506 NOV 14 2009

Language:
English

Document Type:
Article

KeyWords Plus:
ARTIFICIAL NEURAL-NETWORKS; CARBON NANOTUBES; MOLECULAR-DYNAMICS; CAPILLARY RISE; TRANSPORT; LIQUIDS; SURFACE; NANOFLUIDICS; IMBIBITION; NANOPORES

Abstract:
Molecular dynamics simulations were performed to evaluate the penetration of two different fluids (i.e., a Lennard-Jones fluid and a polymer) through a designed nanochannel. For both fluids, the length of permeation as a function of time was recorded for various wall-fluid interactions. A novel methodology, namely, the artificial neural network (ANN) approach was then employed for modeling and prediction of the length of imbibition as a function of influencing parameters (i.e., time, the surface tension and the viscosity of fluids, and the wall-fluid interaction). It was demonstrated that the designed ANN is capable of modeling and predicting the length of penetration with superior accuracy. Moreover, the importance of variables in the designed ANN, i.e., time, the surface tension and the viscosity of fluids, and the wall-fluid interaction, was demonstrated with the aid of the so-called connection weight approach, by which all parameters are simultaneously considered. It was!
revealed that the wall-fluid interaction plays a significant role in such transport phenomena, namely, fluid flow in nanochannels. (C) 2009 American Institute of Physics. [doi: 10.1063/1.3253701]

Reprint Address:
Ahadian, S, Tohoku Univ, IMR, Sendai, Miyagi 9808577, Japan.

Research Institution addresses:
[Ahadian, Samad; Mizuseki, Hiroshi; Kawazoe, Yoshiyuki] Tohoku Univ, IMR, Sendai, Miyagi 9808577, Japan

E-mail Address:
ahadian@imr.edu

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Cited Reference Count:
51

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, Atomic, Molecular & Chemical

ISSN:
0021-9606

DOI:
10.1063/1.3253701

IDS Number:
528NY

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Title:
Enhanced Fluid Transport Through Carbon Nanopipes

Authors:
Whitby, M; Thanou, M; Quirke, N

Author Full Names:
Whitby, M.; Thanou, M.; Quirke, N.

Source:
NSTI NANOTECH 2008, VOL 3, TECHNICAL PROCEEDINGS : 367-369 2008

Language:
English

Document Type:
Proceedings Paper

Author Keywords:
nanopipes; nanotubes; carbon; nanofluidics; flow; plasma

KeyWords Plus:
NANOTUBES; ALUMINA; FLOW

Abstract:
Experimental measurement of fluid flow and diffusion through nanoscale channels is important both for determining how classical theories of fluid dynamics apply at very small length scales and with a view to constructing practical nanofluidic devices. In this study, we observe water flow enhancement of more than 250% in relatively large 271 +/- 31 nm diameter carbon nanopipes with plasma induced surface modification of the carbon walls. Our findings have application in the development of biomedical devices both for sensing and for delivery of therapeutic drugs.

Reprint Address:
Whitby, M, Univ London Imperial Coll Sci Technol & Med, Dept Chem, London SW7 2AZ, England.

Research Institution addresses:
[Whitby, M.; Thanou, M.; Quirke, N.] Univ London Imperial Coll Sci Technol & Med, Dept Chem, London SW7 2AZ, England

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Cited Reference Count:
9

Times Cited:
0

Publisher:
CRC PRESS-TAYLOR & FRANCIS GROUP; 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA

IDS Number:
BMF51

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Title:
Nanofiltration of Electrolyte Solutions by Sub-2nm Carbon Nanotube Membranes

Authors:
Fornasiero, F; Park, HG; Holt, JK; Stadermann, M; Kim, S; In, JB; Grigoropoulos, CP; Noy, A; Bakajin, O

Author Full Names:
Fornasiero, Francesco; Park, Hyung Gyu; Holt, Jason K.; Stadermann, Michael; Kim, Sangil; In, Jung Bin; Grigoropoulos, Costas P.; Noy, Aleksandr; Bakajin, Olgica

Source:
NSTI NANOTECH 2008, VOL 2, TECHNICAL PROCEEDINGS : 106-109 2008

Language:
English

Document Type:
Proceedings Paper

Author Keywords:
carbon nanotube; membrane; ion exclusion; fast flow

KeyWords Plus:
WATER; TRANSPORT; GROWTH

Abstract:
Both MD simulations and experimental studies have shown that liquid and gas flow through carbon nanotubes with nanometer size diameter is exceptionally fast. For applications in separation technology, selectivity is required together with fast flow. In this work, we use pressure-driven filtration experiments to study ion exclusion in silicon nitride/sub-2-nm CNT composite membranes as a function of solution ionic strength, pH, and ion valence. We show that carbon nanotube membranes exhibit significant ion exclusion at low salt concentration. Our results support a rejection mechanism dominated by electrostatic interactions between fixed membrane charges and mobile ions, while steric and hydrodynamic effects appear to be less important. Comparison with commercial nanofiltration membranes for water softening reveals that our carbon nanotube membranes provides far superior water fluxes for similar ion rejection capabilities.

Reprint Address:
Fornasiero, F, Lawrence Livermore Natl Lab, CMELS, Biosci & Biotechnol Div, Livermore, CA 94550 USA.

Research Institution addresses:
[Fornasiero, Francesco; Park, Hyung Gyu; Holt, Jason K.; Stadermann, Michael; Noy, Aleksandr; Bakajin, Olgica] Lawrence Livermore Natl Lab, CMELS, Biosci & Biotechnol Div, Livermore, CA 94550 USA

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Cited Reference Count:
17

Times Cited:
0

Publisher:
CRC PRESS-TAYLOR & FRANCIS GROUP; 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA

IDS Number:
BMF49

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Title:
A High-Flux, Flexible Membrane with Parylene-encapsulated Carbon Nanotubes

Authors:
Park, HG; In, J; Kim, S; Fornasiero, F; Holt, JK; Grigoropoulos, CP; Noy, A; Bakajin, O

Author Full Names:
Park, H. G.; In, J.; Kim, S.; Fornasiero, F.; Holt, J. K.; Grigoropoulos, C. P.; Noy, A.; Bakajin, O.

Source:
NSTI NANOTECH 2008, VOL 1, TECHNICAL PROCEEDINGS : 43-46 2008

Language:
English

Document Type:
Proceedings Paper

Author Keywords:
membrane; carbon nanotube; parylene; high-flux

KeyWords Plus:
BOUNDARY-CONDITIONS; MASS-TRANSPORT; WATER; NANOPORES; FABRICATION; FLOW; ARRAYS

Abstract:
We present fabrication and characterization of a membrane based on carbon nanotubes (CNTs) and parylene. Carbon nanotubes have shown orders of magnitude enhancement in gas and water permeability compared to estimates generated by conventional theories [1, 2]. Large area membranes that exhibit flux enhancement characteristics of carbon nanotubes may provide an economical solution to a variety of technologies including water desalination [3] and gas sequestration [4]. We report a novel method of making carbon nanotube-based, robust membranes with large areas. A vertically aligned dense carbon nanotube array is infiltrated with parylene. Parylene polymer creates a pinhole free transparent film by exhibiting high surface conformity and excellent crevice penetration. Using this moisture-, chemical- and solvent-resistant polymer creates carbon nanotube membranes that promise to exhibit high stability and biocompatibility. CNT membranes are formed by releasing a free-standing film !
that consists of parylene-infiltrated CNTs, followed by CNT uncapping on both sides of the composite material. Thus fabricated membranes show flexibility and ductility due to the parylene matrix material. These membranes have a potential for applications that may require high flux, flexibility and durability.

Reprint Address:
Park, HG, LLNS LLC, Livermore, CA USA.

Research Institution addresses:
[Park, H. G.; Fornasiero, F.; Holt, J. K.; Noy, A.; Bakajin, O.] LLNS LLC, Livermore, CA USA

Cited References:
ALLEN R, 2003, J CHEM PHYS, V119, P3905, DOI 10.1063/1.1590956.
BECKSTEIN O, 2003, P NATL ACAD SCI USA, V100, P7063, DOI 10.1073/pnas.1136844100.
CHE G, 1998, CHEM MATER, V10, P260.
CHEN HB, 2006, J PHYS CHEM B, V110, P1971, DOI 10.1021/jp056911i.
COTTINBIZONNE C, 2002, EUR PHYS J E, V9, P47, DOI 10.1140/epje/i2002-10112-9.
CRAIG VSJ, 2001, PHYS REV LETT, V87, P54504.
FAN R, 2003, J AM CHEM SOC, V125, P5254, DOI 10.1021/ja034163.
FORNASIERO F, 2008, P NATL ACAD IN PRESS.
HINDS BJ, 2004, SCIENCE, V303, P62, DOI 10.1126/science.1092048.
HOLT JK, 2004, NANO LETT, V4, P2245, DOI 10.1021/nl048876h.
HOLT JK, 2006, SCIENCE, V312, P1034, DOI 10.1126/science.1126298.
HUMMER G, 2001, NATURE, V414, P188.
HUMMER G, 2007, MOL PHYS, V105, P201, DOI 10.1080/00268970601140784.
KALRA A, 2003, P NATL ACAD SCI USA, V100, P10175.
KIM S, 2007, NANO LETT, V7, P2806, DOI 10.1021/nl071414u.
KOLESNIKOV AI, 2004, PHYS REV LETT, V93, P5503.
MAJUMDER M, 2005, NATURE, V438, P44, DOI 10.1038/43844a.
MISERENDINO S, 2006, NANOTECHNOLOGY, V17, S23, DOI 10.1088/0957-4484/17/4/005.
NAGUIB N, 2004, NANO LETT, V4, P2237, DOI 10.1021/nl0484907.
NOY A, 2007, NANO TODAY, V2, P22.
SHOLL DS, 2006, SCIENCE, V312, P1033.
SKOULIDAS AI, 2002, PHYS REV LETT, V89, P5901.
SKOULIDAS AI, 2006, J CHEM PHYS, V124, P54708.
SOKHAN VP, 2001, J CHEM PHYS, V115, P3878.
SOKHAN VP, 2002, J CHEM PHYS, V117, P8531, DOI 10.1063/1.1512643.
SOKHAN VP, 2004, J CHEM PHYS, V120, P3855, DOI 10.1063/1.1643726.
WAGHE A, 2002, J CHEM PHYS, V117, P10789, DOI 10.1063/1.1519861.

Cited Reference Count:
27

Times Cited:
0

Publisher:
CRC PRESS-TAYLOR & FRANCIS GROUP; 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA

IDS Number:
BMF46

========================================================================

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Title:
Performance Augmentation of a Water Chiller System Using Nanofluids

Authors:
Liu, MS; Hu, R; Lin, MCC; Wang, CC; Liaw, JS

Author Full Names:
Liu, M. S.; Hu, R.; Lin, M. C. C.; Wang, C. C.; Liaw, J. S.

Source:
ASHRAE TRANSACTIONS 2009, VOL 115, PT 1 115: 581-586 Part 1 2009

Language:
English

Document Type:
Proceedings Paper

KeyWords Plus:
THERMAL-CONDUCTIVITY; CARBON NANOTUBE; HEAT-TRANSFER; ENHANCEMENT; FLOW

Abstract:
This study examined the overall system performance of a water chiller that is subject to the influence of nanofluids. The system performance of a 10 R T water chiller (air conditioner) located in a well-controlled chamber was observed. Multiwalled carbon nanotubes (MWCNTs) were used as the heat transfer medium in the evaporator The system performance was tested at the standard water chiller rating condition in the range of the flow rate (60 L/min to 140 L/min). The static measurement of the thermal conductivity of the nanofluids showed only a 1.3% marginal increase relative to the base fluid, so it was surprising to find that a 4.2% increase in cooling capacity and a slight decrease of about 0.8% in power consumption occurred in the nanofluids system at a flow rate of 100 L/min. In summary, with the introduction of nanofluids, the coefficient of performance (COP) of the water chiller is increased by 5.15% relative to that without nanofluids.

Reprint Address:
Liu, MS, Ind Technol Res Inst, Energy & Environm Res Labs, Hsinchu, Taiwan.

Research Institution addresses:
[Liu, M. S.; Hu, R.; Lin, M. C. C.; Wang, C. C.; Liaw, J. S.] Ind Technol Res Inst, Energy & Environm Res Labs, Hsinchu, Taiwan

Cited References:
BEHZADMEHR A, 2007, INT J HEAT FLUID FL, V28, P211, DOI 10.1016/j.ijheatfluidflow.2006.04.006.
CHOI SUS, 1995, DEV APPL NONNEWTONIA, V231, P99.
CHOI SUS, 2001, APPL PHYS LETT, V79, P2252.
DAUNGTHONGSUK W, 2007, RENEW SUST ENERG REV, V11, P797, DOI 10.1016/j.rser.2005.06.005.
DING Y, 2005, INT J HEAT MASS TRAN, V49, P240.
GAO L, 2007, CHEM PHYS LETT, V434, P297, DOI 10.1016/j.cplett.2006.12.036.
LIU MS, 2005, INT COMMUN HEAT MASS, V32, P1202, DOI 10.1016/j.icheatmasstransfer.2005.05.005.
LIU MS, 2006, P 2 INT S MICR NAN, P345.
LU HF, 2007, CARBON, V45, P936, DOI 10.1016/j.carbon.2007.01.001.
MAJUMDER M, 2005, NATURE, V438, P44, DOI 10.1038/43844a.
WANG XQ, 2007, INT J THERM SCI, V46, P1, DOI 10.1016/j.ijthermalsci.2006.06.010.
XIE HQ, 2003, J APPL PHYS, V94, P4967, DOI 10.1063/1.1613374.
XUAN Y, 2003, ASME, V125, P151.
YANG Y, 2005, INT J HEAT MASS TRAN, V48, P1107, DOI 10.1016/j.ijheatmasstransfer.2004.09.038.
ZHANG X, 2007, EXP THERM FLUID SCI, V31, P593, DOI 10.1016/j.expthermflusci.2006.06.009.

Cited Reference Count:
15

Times Cited:
0

Publisher:
AMER SOC HEATING, REFRIGERATING AND AIR-CONDITIONING ENGS; 1791 TULLIE CIRCLE NE, ATLANTA, GA 30329 USA

ISSN:
0001-2505

IDS Number:
BMG17

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ISI Web of Knowledge Alert - Sokhan VP

ISI Web of Knowledge Citation Alert

Cited Article: Sokhan VP. Fluid flow in nanopores: Accurate boundary conditions for carbon nanotubes
Alert Expires: 09 NOV 2010
Number of Citing Articles: 1 new records this week (1 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
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Title:
A High-Flux, Flexible Membrane with Parylene-encapsulated Carbon Nanotubes

Authors:
Park, HG; In, J; Kim, S; Fornasiero, F; Holt, JK; Grigoropoulos, CP; Noy, A; Bakajin, O

Author Full Names:
Park, H. G.; In, J.; Kim, S.; Fornasiero, F.; Holt, J. K.; Grigoropoulos, C. P.; Noy, A.; Bakajin, O.

Source:
NSTI NANOTECH 2008, VOL 1, TECHNICAL PROCEEDINGS : 43-46 2008

Language:
English

Document Type:
Proceedings Paper

Author Keywords:
membrane; carbon nanotube; parylene; high-flux

KeyWords Plus:
BOUNDARY-CONDITIONS; MASS-TRANSPORT; WATER; NANOPORES; FABRICATION; FLOW; ARRAYS

Abstract:
We present fabrication and characterization of a membrane based on carbon nanotubes (CNTs) and parylene. Carbon nanotubes have shown orders of magnitude enhancement in gas and water permeability compared to estimates generated by conventional theories [1, 2]. Large area membranes that exhibit flux enhancement characteristics of carbon nanotubes may provide an economical solution to a variety of technologies including water desalination [3] and gas sequestration [4]. We report a novel method of making carbon nanotube-based, robust membranes with large areas. A vertically aligned dense carbon nanotube array is infiltrated with parylene. Parylene polymer creates a pinhole free transparent film by exhibiting high surface conformity and excellent crevice penetration. Using this moisture-, chemical- and solvent-resistant polymer creates carbon nanotube membranes that promise to exhibit high stability and biocompatibility. CNT membranes are formed by releasing a free-standing film !
that consists of parylene-infiltrated CNTs, followed by CNT uncapping on both sides of the composite material. Thus fabricated membranes show flexibility and ductility due to the parylene matrix material. These membranes have a potential for applications that may require high flux, flexibility and durability.

Reprint Address:
Park, HG, LLNS LLC, Livermore, CA USA.

Research Institution addresses:
[Park, H. G.; Fornasiero, F.; Holt, J. K.; Noy, A.; Bakajin, O.] LLNS LLC, Livermore, CA USA

Cited References:
ALLEN R, 2003, J CHEM PHYS, V119, P3905, DOI 10.1063/1.1590956.
BECKSTEIN O, 2003, P NATL ACAD SCI USA, V100, P7063, DOI 10.1073/pnas.1136844100.
CHE G, 1998, CHEM MATER, V10, P260.
CHEN HB, 2006, J PHYS CHEM B, V110, P1971, DOI 10.1021/jp056911i.
COTTINBIZONNE C, 2002, EUR PHYS J E, V9, P47, DOI 10.1140/epje/i2002-10112-9.
CRAIG VSJ, 2001, PHYS REV LETT, V87, P54504.
FAN R, 2003, J AM CHEM SOC, V125, P5254, DOI 10.1021/ja034163.
FORNASIERO F, 2008, P NATL ACAD IN PRESS.
HINDS BJ, 2004, SCIENCE, V303, P62, DOI 10.1126/science.1092048.
HOLT JK, 2004, NANO LETT, V4, P2245, DOI 10.1021/nl048876h.
HOLT JK, 2006, SCIENCE, V312, P1034, DOI 10.1126/science.1126298.
HUMMER G, 2001, NATURE, V414, P188.
HUMMER G, 2007, MOL PHYS, V105, P201, DOI 10.1080/00268970601140784.
KALRA A, 2003, P NATL ACAD SCI USA, V100, P10175.
KIM S, 2007, NANO LETT, V7, P2806, DOI 10.1021/nl071414u.
KOLESNIKOV AI, 2004, PHYS REV LETT, V93, P5503.
MAJUMDER M, 2005, NATURE, V438, P44, DOI 10.1038/43844a.
MISERENDINO S, 2006, NANOTECHNOLOGY, V17, S23, DOI 10.1088/0957-4484/17/4/005.
NAGUIB N, 2004, NANO LETT, V4, P2237, DOI 10.1021/nl0484907.
NOY A, 2007, NANO TODAY, V2, P22.
SHOLL DS, 2006, SCIENCE, V312, P1033.
SKOULIDAS AI, 2002, PHYS REV LETT, V89, P5901.
SKOULIDAS AI, 2006, J CHEM PHYS, V124, P54708.
SOKHAN VP, 2001, J CHEM PHYS, V115, P3878.
SOKHAN VP, 2002, J CHEM PHYS, V117, P8531, DOI 10.1063/1.1512643.
SOKHAN VP, 2004, J CHEM PHYS, V120, P3855, DOI 10.1063/1.1643726.
WAGHE A, 2002, J CHEM PHYS, V117, P10789, DOI 10.1063/1.1519861.

Cited Reference Count:
27

Times Cited:
0

Publisher:
CRC PRESS-TAYLOR & FRANCIS GROUP; 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA

IDS Number:
BMF46

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obtaining the full text of the above articles. If your organization does
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contact ISI Document Solution at service@isidoc.com, or call 800-603-4367
or 734-459-8565.

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volume, and issue information) by returning this ENTIRE message as a Reply
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Friday, December 11, 2009

ISI Web of Knowledge Alert - Maibaum, L

ISI Web of Knowledge Citation Alert

Cited Article: Maibaum, L. A coarse-grained model of water confined in a hydrophobic tube
Alert Expires: 09 NOV 2010
Number of Citing Articles: 2 new records this week (2 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
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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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Title:
Vibrational Spectroscopy and Dynamics of Water Confined inside Reverse Micelles

Authors:
Pieniazek, PA; Lin, YS; Chowdhary, J; Ladanyi, BM; Skinner, JL

Author Full Names:
Pieniazek, Piotr A.; Lin, Yu-Shan; Chowdhary, Janamejaya; Ladanyi, Branka M.; Skinner, J. L.

Source:
JOURNAL OF PHYSICAL CHEMISTRY B 113 (45): 15017-15028 NOV 12 2009

Language:
English

Document Type:
Review

KeyWords Plus:
ULTRAFAST INFRARED-SPECTROSCOPY; HYDROGEN-BOND DYNAMICS; PROTEIN HYDRATION WATER; MOLECULAR-DYNAMICS; SOLVATION DYNAMICS; LIQUID WATER; COMPUTER-SIMULATION; NEUTRON-SCATTERING; SPECTRAL DIFFUSION; NMR-SPECTROSCOPY

Abstract:
In this work, we combine atomistic molecular dynamics simulations with theoretical vibrational spectroscopy to study the properties of water confined inside bis(2-ethylhexyl)sulfosuccinate (AOT) reverse micelles. This approach is found to successfully reproduce the experimental spectra, rotational anisotropy decays, and spectral diffusion time-correlation functions as a function of micelle size. These results are interpreted in terms of water molecules in different hydrogen bonding environments. One interesting result from our simulation, not directly accessible experimentally, involves the distance from the surfactant headgroup/water interface over which the dynamical properties of water become bulk-like. We find that this distance varies with micelle size, casting doubt on the core/shell model. In particular, the distance increases with decreasing micelle size, and hence decreasing radius of curvature of the interface. We suggest that this arises from curvature-induced fru!
stration. We also find that the dynamics in the smallest micelle studied is extremely slow-relaxation is still incomplete by 1 ns. As in other glassy systems with collective relaxation, our time-correlation functions can be fit to stretched exponentials, in this case with very small exponents.

Reprint Address:
Skinner, JL, Univ Wisconsin, Inst Theoret Chem, Madison, WI 53706 USA.

Research Institution addresses:
[Pieniazek, Piotr A.; Lin, Yu-Shan; Skinner, J. L.] Univ Wisconsin, Inst Theoret Chem, Madison, WI 53706 USA; [Pieniazek, Piotr A.; Lin, Yu-Shan; Skinner, J. L.] Univ Wisconsin, Dept Chem, Madison, WI 53706 USA; [Chowdhary, Janamejaya; Ladanyi, Branka M.] Colorado State Univ, Dept Chem, Ft Collins, CO 80523 USA

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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/jp906784t

IDS Number:
514WY

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ISI Web of Knowledge Alert - Hummer, G

ISI Web of Knowledge Citation Alert

Cited Article: Hummer, G. Water conduction through the hydrophobic channel of a carbon nanotube
Alert Expires: 09 NOV 2010
Number of Citing Articles: 3 new records this week (3 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
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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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Cited Reference Count:
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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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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Cited Article: Thompson, P. A general boundary condition for liquid flow at solid surfaces
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Title:
Lattice Boltzmann simulations in microfluidics: probing the no-slip boundary condition in hydrophobic, rough, and surface nanobubble laden microchannels

Authors:
Harting, J; Kunert, C; Hyvaluoma, J

Author Full Names:
Harting, Jens; Kunert, Christian; Hyvaluoma, Jari

Source:
MICROFLUIDICS AND NANOFLUIDICS 8 (1): 1-10 JAN 2010

Language:
English

Document Type:
Review

Author Keywords:
Apparent and intrinsic slip; Rough and hydrophobic surfaces; Lattice Boltzmann simulations

KeyWords Plus:
FLUID-SOLID INTERFACE; MOLECULAR-DYNAMICS SIMULATION; APPARENT SLIP; SHEAR-FLOW; LIQUID; WALLS; MODEL; FRICTION; FORCE

Abstract:
In this contribution, we review recent efforts on investigations of the effect of (apparent) boundary slip by utilizing lattice Boltzmann simulations. We demonstrate the applicability of the method to treat fundamental questions in microfluidics by investigating fluid flow in hydrophobic and rough microchannels as well as over surfaces covered by nano- or microscale gas bubbles.

Reprint Address:
Harting, J, TU Eindhoven, Dept Appl Phys, Den Dolech 2, NL-5600 MB Eindhoven, Netherlands.

Research Institution addresses:
[Harting, Jens] TU Eindhoven, Dept Appl Phys, NL-5600 MB Eindhoven, Netherlands; [Harting, Jens; Kunert, Christian] Univ Stuttgart, Inst Computat Phys, D-70569 Stuttgart, Germany; [Hyvaluoma, Jari] Univ Jyvaskyla, Dept Phys, Jyvaskyla 40014, Finland

E-mail Address:
j.harting@tue.nl; kuni@icp.uni-stuttgart.de; jari.hyvaluoma@jyu.fi

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71

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/s10404-009-0506-6

IDS Number:
524WM

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Title:
Molecular Momentum Transport at Fluid-Solid Interfaces in MEMS/NEMS: A Review

Authors:
Cao, BY; Sun, J; Chen, M; Guo, ZY

Author Full Names:
Cao, Bing-Yang; Sun, Jun; Chen, Min; Guo, Zeng-Yuan

Source:
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES 10 (11): 4638-4706 NOV 2009

Language:
English

Document Type:
Review

Author Keywords:
fluid-solid interfaces; molecular momentum transport; velocity slip; boundary conditions; momentum accommodation coefficient; micro/nanofluidics; molecular dynamics

KeyWords Plus:
SPINNING ROTOR GAUGE; HYDRODYNAMIC BOUNDARY-CONDITIONS; VELOCITY SLIP COEFFICIENTS; GAS-SURFACE INTERACTION; LATTICE BOLTZMANN METHOD; SIMULATION MONTE-CARLO; THIN LIQUID-FILMS; HYDROPHOBIC MICROCHANNEL WALLS; ATOMIC-FORCE MICROSCOPE; FAST MASS-TRANSPORT

Abstract:
This review is focused on molecular momentum transport at fluid-solid interfaces mainly related to microfluidics and nanofluidics in micro-/nano-electromechanical systems (MEMS/NEMS). This broad subject covers molecular dynamics behaviors, boundary conditions, molecular momentum accommodations, theoretical and phenomenological models in terms of gas-solid and liquid-solid interfaces affected by various physical factors, such as fluid and solid species, surface roughness, surface patterns, wettability, temperature, pressure, fluid viscosity and polarity. This review offers an overview of the major achievements, including experiments, theories and molecular dynamics simulations, in the field with particular emphasis on the effects on microfluidics and nanofluidics in nanoscience and nanotechnology. In Section 1 we present a brief introduction on the backgrounds, history and concepts. Sections 2 and 3 are focused on molecular momentum transport at gas-solid and liquid-solid int!
erfaces, respectively. Summary and conclusions are finally presented in Section 4.

Reprint Address:
Cao, BY, Tsinghua Univ, Dept Engn Mech, Key Lab Thermal Sci & Power Engn, Minist Educ, Beijing 100084, Peoples R China.

Research Institution addresses:
[Cao, Bing-Yang; Sun, Jun; Chen, Min; Guo, Zeng-Yuan] Tsinghua Univ, Dept Engn Mech, Key Lab Thermal Sci & Power Engn, Minist Educ, Beijing 100084, Peoples R China; [Sun, Jun] Tsinghua Univ, Inst Nucl & New Energy Technol, Beijing 100084, Peoples R China

E-mail Address:
caoby@tsinghua.edu.cn; sunjun@tsinghua.edu.cn; mchen@tsinghua.edu.cn; demgzy@tsinghua.edu.cn

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Cited Reference Count:
412

Times Cited:
0

Publisher:
MOLECULAR DIVERSITY PRESERVATION INTERNATIONAL-MDPI; KANDERERSTRASSE 25, CH-4057 BASEL, SWITZERLAND

Subject Category:
Chemistry, Multidisciplinary

ISSN:
1422-0067

DOI:
10.3390/ijms10114638

IDS Number:
525CR

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