首页> 外文期刊>Discrete and continuous dynamical systems >ION SIZE EFFECTS ON INDIVIDUAL FLUXES VIA POISSON-NERNST-PLANCK SYSTEMS WITH BIKERMAN'S LOCAL HARD-SPHERE POTENTIAL: ANALYSIS WITHOUT ELECTRONEUTRALITY BOUNDARY CONDITIONS
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ION SIZE EFFECTS ON INDIVIDUAL FLUXES VIA POISSON-NERNST-PLANCK SYSTEMS WITH BIKERMAN'S LOCAL HARD-SPHERE POTENTIAL: ANALYSIS WITHOUT ELECTRONEUTRALITY BOUNDARY CONDITIONS

机译:带有Bikerman局部硬球电位的Poisson-nernst-Planck系统对单个通量的离子大小效应:无电中性边界条件的分析

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A quasi-one-dimensional steady-state Poisson-Nernst-Planck model with Bikerman's local hard-sphere potential for ionic flows of two oppositely charged ion species through a membrane channel is analyzed. Of particular interest is the qualitative properties of ionic flows in terms of individual fluxes without the assumption of electroneutrality conditions, which is more realistic to study ionic flow properties of interest. This is the novelty of this work. Our result shows that i) boundary concentrations and relative size of ion species play critical roles in characterizing ion size effects on individual fluxes; ii) the first order approximation J(k1) = D(k)J(k1) in ion volume of individual fluxes J(k) = D(k)J(k) is linear in boundary potential, furthermore, the signs of partial derivative(V) J(k1) and partial derivative(2)(V)(lambda)J(k1), which play key roles in characterizing ion size effects on ionic flows can be both negative depending further on boundary concentrations while they are always positive and independent of boundary concentrations under electroneutrality conditions (see Corollaries 3.2-3.3, Theorems 3.4-3.5 and Proposition 3.7). Numerical simulations are performed to identify some critical potentials defined in (2). We believe our results will provide useful insights for numerical and even experimental studies of ionic flows through membrane channels.
机译:分析了具有两个分子带相反电荷的离子流过膜通道的Bikerman局部硬球势的准一维稳态Poisson-Nernst-Planck模型。特别令人关注的是,在不考虑电子中性条件的情况下,根据单个通量的离子流的定性特性,这对于研究目标离子流特性更为现实。这是这项工作的新颖之处。我们的结果表明:i)离子种类的边界浓度和相对尺寸在表征离子尺寸对单个通量的影响方面起着关键作用; ii)单个通量的离子体积中的一阶近似值J(k1)= D(k)J(k1)J(k)= D(k)J(k)在边界电势上是线性的,此外,偏符号的符号在表征离子尺寸对离子流的影响中起关键作用的导数(V)J(k1)和偏导数(2)(V)(λ)J(k1)可能都为负值,这取决于边界浓度,而它们始终是在电子中性条件下为正值且与边界浓度无关(请参见推论3.2-3.3,定理3.4-3.5和命题3.7)。进行数值模拟以识别(2)中定义的一些临界电势。我们相信我们的结果将为通过膜通道的离子流的数值甚至实验研究提供有用的见解。

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