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
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
摘要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.
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.
LIU Jian;FAN Jian-Fen**. Relationship between the Permeation-Diffusion Parameters of a Single-File Channel[J]. 中国物理快报, 2012, 29(1): 10502-010502.
LIU Jian, FAN Jian-Fen**. Relationship between the Permeation-Diffusion Parameters of a Single-File Channel. Chin. Phys. Lett., 2012, 29(1): 10502-010502.
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2012, Vol. 29 
