Cited Article: Sokhan VP. Fluid flow in nanopores: Accurate boundary conditions for carbon nanotubes
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Title:
Dual diffusion mechanism of argon confined in single-walled carbon nanotube bundles
Authors:
Liu, YC; Moore, JD; Roussel, TJ; Gubbins, KE
Author Full Names:
Liu, Ying-Chun; Moore, Joshua D.; Roussel, Thomas J.; Gubbins, Keith E.
Source:
PHYSICAL CHEMISTRY CHEMICAL PHYSICS 12 (25): 6632-6640 2010
Language:
English
Document Type:
Article
KeyWords Plus:
MOLECULAR-DYNAMICS SIMULATIONS; TRANSPORT DIFFUSION; FILE DIFFUSION; SILICA; DIFFUSIVITIES; ADSORPTION; CATALYSIS; ALPO4-5; DEVICES; STORAGE
Abstract:
The adsorption and diffusion mechanisms of argon at 120 K were examined in a (25,0) single-walled carbon nanotube (SWCNT) bundle using a combination of Grand Canonical Monte Carlo and microcanonical molecular dynamics simulations. Interstices between the SWCNTs provided the most energetically favorable adsorption sites and filled completely at low relative pressure, followed by adsorption in the SWCNTs. We calculated the self-diffusivities from the average mean squared displacements of argon molecules. In both flexible and rigid bundles, we observed a bimodal diffusion mechanism, with single-file diffusion occurring in the interstitial sites and Fickian diffusion in the SWCNTs. Strong system size effects were observed in our simulations. The largest system sizes showed very little influence of the nanotube flexibility on the diffusion of argon even at the lowest pressures studied.
Reprint Address:
Gubbins, KE, N Carolina State Univ, Inst Computat Sci & Engn, Raleigh, NC 27695 USA.
Research Institution addresses:
[Liu, Ying-Chun; Moore, Joshua D.; Roussel, Thomas J.; Gubbins, Keith E.] N Carolina State Univ, Inst Computat Sci & Engn, Raleigh, NC 27695 USA; [Liu, Ying-Chun; Moore, Joshua D.; Roussel, Thomas J.; Gubbins, Keith E.] N Carolina State Univ, Dept Chem & Biomol Engn, Raleigh, NC 27695 USA; [Liu, Ying-Chun] Zhejiang Univ, Dept Chem, Hangzhou 310027, Zhejiang, Peoples R China
E-mail Address:
keg@ncsu.edu
Cited References:
ACKERMAN DM, 2003, MOL SIMULAT, V29, P677, DOI 10.1080/0892702031000103239.
ALBERTS B, 2008, MOL BIOL CELL.
ANDERSEN HC, 1980, J CHEM PHYS, V72, P2384.
ARYA G, 2003, MOL SIMULAT, V29, P697, DOI 10.1080/0892702031000103257.
BERENDSEN HJC, 1984, J CHEM PHYS, V81, P3684.
BHATIA SK, 2005, MOL SIMULAT, V31, P643, DOI 10.1080/00268970500108403.
CAVALLARO G, 2004, DRUG DELIV, V11, P41, DOI 10.1080/10717540490265252.
CHEN HB, 2006, J PHYS CHEM B, V110, P1971, DOI 10.1021/jp056911i.
CHEYSSAC P, 2006, THIN SOLID FILMS, V495, P237, DOI 10.1016/j.tsf.2005.08.373.
CORMA A, 1997, CHEM REV, V97, P2373.
DANIEL MC, 2004, CHEM REV, V104, P293, DOI 10.1021/cr030698+.
DUBBELDAM D, 2007, MOL SIMULAT, V33, P305, DOI 10.1080/08927020601156418.
DUREN T, 2002, MOL PHYS, V100, P3741, DOI 10.1080/0026897021000028429.
ENDO M, 1997, J PHYS CHEM SOLIDS, V58, P1707.
FELDERHOF BU, 2009, J CHEM PHYS, V131, ARTN 064504.
FRENKEL D, 2002, UNDERSTANDING MOL SI.
GREST GS, 1986, PHYS REV A, V33, P3628.
HAHN K, 1996, J PHYS CHEM-US, V100, P316.
HAHN K, 1996, PHYS REV LETT, V76, P2762.
HAHN K, 1998, J PHYS CHEM B, V102, P5766.
HERNANDEZVELEZ M, 2006, THIN SOLID FILMS, V495, P51, DOI 10.1016/j.tsf.2005.08.331.
HOOGENBOOM JP, 2000, J CHEM PHYS, V113, P6875.
HUANG LP, 2009, J CHEM PHYS, V130, ARTN 194701.
JAKOBTORWEIHEN S, 2005, PHYS REV LETT, V95, ARTN 044501.
JAKOBTORWEIHEN S, 2007, J CHEM PHYS, V127, ARTN 024904.
JAKOBTORWEIHEN S, 2009, MOL SIMULAT, V35, P90, DOI 10.1080/08927020802378936.
JOHNSON JK, 1993, MOL PHYS, V78, P591.
KAM NWS, 2004, J AM CHEM SOC, V126, P6850, DOI 10.1021/ja0486059.
KANG Y, 2008, J PHYS CHEM B, V112, P4801, DOI 10.1021/jp711392g.
KANG Y, 2009, BIOMATERIALS, V30, P2807, DOI 10.1016/j.biomaterials.2009.01.024.
KARGER J, 1992, DIFFUSION ZEOLITES O.
KIANG CH, 1998, PHYS REV LETT, V81, P1869.
KUKLA V, 1996, SCIENCE, V272, P702.
LI J, 2003, J CHEM PHYS, V119, P2376, DOI 10.1063/1.1582831.
LI ZJ, 2004, J PHYS CHEM B, V108, P824, DOI 10.1021/jp0368233.
LINDAHL E, 2001, J MOL MODEL, V7, P306.
LIU XB, 2006, CARBON, V44, P184, DOI 10.1016/j.carbon.2005.07.034.
LIU YC, 2009, P DIFF FUND, V3, P164.
MARMIER A, 2005, MOL SIMULAT, V31, P385, DOI 10.1080/08927020500066338.
MITRA A, 2004, IND ENG CHEM RES, V43, P2946, DOI 10.1021/ie034062k.
NIVARTHI SS, 1994, CHEM PHYS LETT, V229, P297.
PARKER GJ, 2006, PHILOS T ROY SOC A, V364, P189, DOI 10.1098/rsta.2005.1693.
PHILLIPS JC, 2005, J COMPUT CHEM, V26, P1781, DOI 10.1002/jcc.20289.
PLIMPTON S, 1995, J COMPUT PHYS, V117, P1.
ROUSSEL T, 2009, J CHEM PHYS, V130, ARTN 174717.
SHEN JW, 2008, BIOMATERIALS, V29, P3847, DOI 10.1016/j.biomaterials.2008.06.013.
SKOULIDAS AI, 2002, J PHYS CHEM B, V106, P5058.
SKOULIDAS AI, 2002, PHYS REV LETT, V89, ARTN 185901.
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.
STEELE WA, 1974, INTERACTION GASES SO.
STEIN A, 2003, ADV MATER, V15, P763, DOI 10.1002/adma.200300007.
SUN BY, 2005, J AM CHEM SOC, V127, P17972.
VASEASHTA A, 2005, SCI TECHNOL ADV MAT, V6, P312, DOI 10.1016/j.stam.2005.02.018.
VINU A, 2005, J MATER CHEM, V15, P5122, DOI 10.1039/b507456h.
VIXGUTERL C, 2005, CARBON, V43, P1293.
WALTHER JH, 2001, J PHYS CHEM B, V105, P9980.
Cited Reference Count:
57
Times Cited:
0
Publisher:
ROYAL SOC CHEMISTRY; THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND
Subject Category:
Chemistry, Physical; Physics, Atomic, Molecular & Chemical
ISSN:
1463-9076
DOI:
10.1039/b927152j
IDS Number:
611NW
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