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 nenochannel,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.
作者
LIU Jian
FAN Jian-Fen
刘健;樊建芬(College of Chemistry,Chemical Engineering and Materials Science,Soochow University,Suzhou 215123;Shanghai Institute of Applied Physics,Chinese Academy of Sciences,PO Box 800-204,Shanghai 201800)
基金
Supported by the National Natural Science Foundation of China under Grant No 21173154
the Pre-research Foundation of National Natural Science from Soochow Univerisity(No Q310904210).
