Rapid transport of gases in carbon nanotubes

被引:607
作者
Skoulidas, AI
Ackerman, DM
Johnson, JK
Sholl, DS [1 ]
机构
[1] Carnegie Mellon Univ, Dept Chem Engn, Pittsburgh, PA 15213 USA
[2] Univ Pittsburgh, Dept Chem & Petr Engn, Pittsburgh, PA 15261 USA
[3] Natl Energy Technol Lab, Pittsburgh, PA 15236 USA
基金
美国国家科学基金会;
关键词
D O I
10.1103/PhysRevLett.89.185901
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We report atomistic simulations for both self- and transport diffusivities of light gases in carbon nanotubes and in two zeolites with comparable pore sizes. We find that transport rates in nanotubes are orders of magnitude faster than in the zeolites we have studied or in any microporous material for which experimental data are available. The exceptionally high transport rates in nanotubes are shown to be a result of the inherent smoothness of the nanotubes. We predict that carbon nanotube membranes will have fluxes that are orders of magnitude greater than crystalline zeolite membranes.
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页数:4
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共 28 条
[1]  
Allen M. P., 1987, Computer Simulation of Liquids
[2]   A comparison of atomistic simulations and experimental measurements of light gas permeation through zeolite membranes [J].
Bowen, TC ;
Falconer, JL ;
Noble, RD ;
Skoulidas, AI ;
Sholl, DS .
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 2002, 41 (06) :1641-1650
[3]   PATH-INTEGRAL SIMULATIONS OF MIXED PARA-D-2 AND ORTHO-D-2 CLUSTERS - THE ORIENTATIONAL EFFECTS [J].
BUCH, V .
JOURNAL OF CHEMICAL PHYSICS, 1994, 100 (10) :7610-7629
[4]   Low-friction nanoscale linear bearing realized from multiwall carbon nanotubes [J].
Cumings, J ;
Zettl, A .
SCIENCE, 2000, 289 (5479) :602-604
[5]  
Cussler E.L, 1976, MULTICOMPONENT DIFFU
[6]   Composition dependent transport diffusion coefficients of CH4/CF4 mixtures in carbon nanotubes by non-equilibrium molecular dynamics simulations [J].
Düren, T ;
Keil, FJ ;
Seaton, NA .
CHEMICAL ENGINEERING SCIENCE, 2002, 57 (08) :1343-1354
[7]   Coarse-grained molecular simulation of penetrant diffusion in a glassy polymer using reverse, and kinetic Monte Carlo [J].
Greenfield, ML ;
Theodorou, DN .
MACROMOLECULES, 2001, 34 (24) :8541-8553
[8]   Adsorption of CH4-CF4 mixtures in silicalite: Simulation, experiment, and theory [J].
Heuchel, M ;
Snurr, RQ ;
Buss, E .
LANGMUIR, 1997, 13 (25) :6795-6804
[9]   Water conduction through the hydrophobic channel of a carbon nanotube [J].
Hummer, G ;
Rasaiah, JC ;
Noworyta, JP .
NATURE, 2001, 414 (6860) :188-190
[10]   ADSORPTION, ISOSTERIC HEAT AND COMMENSURATE-INCOMMENSURATE TRANSITION OF METHANE ON GRAPHITE [J].
JIANG, SY ;
GUBBINS, KE ;
ZOLLWEG, JA .
MOLECULAR PHYSICS, 1993, 80 (01) :103-116