渗透
扩散
分子动力学
材料科学
频道(广播)
化学物理
焊剂(冶金)
布朗动力学
布朗运动
流量(数学)
机械
统计物理学
热力学
膜
计算机科学
物理
化学
计算化学
计算机网络
生物化学
量子力学
冶金
标识
DOI:10.1088/0256-307x/29/1/010502
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.
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