期刊
JOURNAL OF PHYSICS-CONDENSED MATTER
卷 14, 期 46, 页码 12129-12145出版社
IOP PUBLISHING LTD
DOI: 10.1088/0953-8984/14/46/317
关键词
-
Ion transport between two baths of fixed ionic concentrations and applied electrostatic (ES) potential is analysed, using at one-dimensional drift-diffusion (Poisson-Nernst-Planck, PNP) transport system designed to model biological ion channels. The ions are described as charged, hard spheres with excess chemical potentials computed from equilibrium density functional. theory (DFT). The method of Rosenfeld, (Rosenfeld Y 1993 J. Chem. Phys. 98 8126) is generalized to calculate the ES excess chemical potential in channels. A numerical algorithm for solving the set of integral-differential PNP/DFT equations is described and used-to calculate-flux,through a calcium-selective ion channel.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据