标题：Mathematical studies of Poisson-Nernst-Planck model for membrane channels: Finite ion size effects without electroneutrality boundary conditions
作者：Aitbayev, Rakhim; Bates, Peter W.; Lu, Hong; Zhang, Lijun; Zhang, Mingji
作者机构：[Aitbayev, Rakhim; Zhang, Mingji] New Mexico Inst Min & Technol, Dept Math, Socorro, NM 87801 USA.; [Bates, Peter W.] Michigan State Univ, Dept Math 更多
会议名称：3rd Annual Meeting of SIAM-Central-States-Section
会议日期：SEP 29-OCT 01, 2017
来源：JOURNAL OF COMPUTATIONAL AND APPLIED MATHEMATICS
关键词：PNP model; Ion sizes; Local hard-sphere potentials; Critical potentials;; Individual fluxes; Electroneutrality conditions
摘要：We study a quasi-one-dimensional steady-state Poisson-Nernst-Planck model with a local hard-sphere potential for ionic flows of two oppositely charged ion species through a membrane channel. Of particular interest are qualitative properties of ionic flows in terms of individual fluxes J(k) without assuming electroneutrality boundary conditions. For the first order approximation J(k1) (in diameter of charged particle) of J(k), our result shows that the quantities partial derivative(V)J(k1) and partial derivative(2)(V lambda)J(k1) that play critical roles in characterizing ion size effects on ionic flows can be both negative depending sensitively on boundary concentrations and relative ion valences while they are always positive under electroneutrality conditions. This new observation indicates that, for fixed ion species, opposite finite size effects on ionic flows can occur determined further by boundary concentrations. Numerical simulation is performed to detect some critical potentials closely related to ion size effects. Numerical simulation results are consistent with our analytical predictions. (C) 2018 Elsevier B.V. All rights reserved.