期刊
MOLECULAR SIMULATION
卷 48, 期 1, 页码 43-56出版社
TAYLOR & FRANCIS LTD
DOI: 10.1080/08927022.2021.1939330
关键词
Scaling; nanopores; rectification; Dukhin number; Nernst-Planck
资金
- National Research, Development and Innovation Office - NKFIH [K124353]
The study examines the rectification behavior of bipolar nanopores using the Nernst-Planck equation coupled to the Local Equilibrium Monte Carlo method. A single scaling parameter is proposed to describe how system parameters such as pore length, voltage, and surface charge density influence the behavior of the pore.
The scaling behaviour for the rectification of bipolar nanopores is studied using the Nernst-Planck equation coupled to the Local Equilibrium Monte Carlo method. The bipolar nanopore's wall carries sigma and -sigma surface charge densities in its two half regions axially. Scaling means that the device function (rectification) depends on the system parameters (pore length, H, pore radius, R, concentration, c, voltage, U, and surface charge density, sigma) via a single scaling parameter that is a smooth analytical function of the system parameters. Here, we suggest using a modified Dukhin number, mDu = vertical bar sigma vertical bar l(B)*lambda DHU/(RU0), where l(B)* = 8 pi l(B), l(B) is the Bjerrum length, lambda(D) is the Debye length, and U-0 is a reference voltage. We show how scaling depends on H, U, and sigma and through what mechanisms these parameters influence the pore's behaviour.
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