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Summary: THE JOURNAL OF CHEMICAL PHYSICS 134, 044908 (2011)
Multicomponent ballistic transport in narrow single wall carbon
nanotubes: Analytic model and molecular dynamics simulations
T. Mutat,1
J. Adler,1,a)
and M. Sheintuch2
1
Department of Physics, Technion, Haifa 32000, Israel
2
Department of Chemical Engineering, Technion, Haifa 32000, Israel
(Received 12 September 2010; accepted 3 December 2010; published online 27 January 2011)
The transport of gas mixtures through molecular-sieve membranes such as narrow nanotubes has
many potential applications, but there remain open questions and a paucity of quantitative predic-
tions. Our model, based on extensive molecular dynamics simulations, proposes that ballistic motion,
hindered by counter diffusion, is the dominant mechanism. Our simulations of transport of mixtures
of molecules between control volumes at both ends of nanotubes give quantitative support to the
model's predictions. The combination of simulation and model enable extrapolation to longer tubes
and pore networks. © 2011 American Institute of Physics. [doi:10.1063/1.3532083]
I. INTRODUCTION
The transport of gas mixtures through molecular-sieve
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