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Relationship between the Permeation-Diffusion Parameters of a Single-File Channel |
| LIU Jian1,2, FAN Jian-Fen1** |
1College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou 215123
2Shanghai Institute of Applied Physics, Chinese Academy of Sciences, PO Box 800-204, Shanghai 201800 |
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| Cite this article: |
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LIU Jian, FAN Jian-Fen 2012 Chin. Phys. Lett. 29 010502 |
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Abstract Two sets of widely used parameters can describe the molecular permeation through a nanochannel. One is permeation rate j and its diffusion Dn, and the other is flow and net flux. We establish a relationship between the two sets for a single-file nanochannel, as well as its dependence on the temperature and pressure difference between the two ends of a single-file channel, based on the Brownian motion theories and verified with molecular dynamics simulations for the water diffusion in a transmembrane (6,6) armchair carbon nanotube. Simulation results are in excellent agreement with our predictions.
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05.40.Jc
05.60.Cd
87.15.H-
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Received: 10 July 2011
Published: 07 February 2012
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