The selectivity of a single nanopore in a uniformly charged solid membrane to a charged analyte ion is studied using numerical simulation. A continuum model is used where the ions are regarded as point particles and characterized by a continuously varying number density. The problem is described by the coupled equations for the electrostatic potential, ion-transport, and hydrodynamic flow, which are solved under appropriate boundary conditions using a finite volume method. The nanopore geometry is considered conical, the cylindrical pore being a special case where the cone angle is zero. The selectivity is characterized by a dimensionless parameter: the pore selectivity index. Results are presented showing how the pore selectivity index varies with the membrane surface charge and other parameters of the problem. The role of hydrodynamic flow on transport properties is examined and found to be consistent with theoretical results on electroosmotic flow through nanopores.

中文翻译：

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隔离的圆柱或圆锥形纳米孔对带电大离子选择性的数值研究。

使用数值模拟研究了均匀带电固体膜中单个纳米孔对带电分析物离子的选择性。使用连续模型，其中离子被视为点粒子，并以连续变化的数密度为特征。该问题由静电势，离子迁移和流体动力流的耦合方程式描述，这些方程式在有限的边界条件下使用有限体积法求解。纳米孔的几何形状被认为是圆锥形的，圆柱孔是其中锥角为零的特殊情况。选择性的特征在于无量纲参数：孔选择性指数。结果表明，孔选择性指数如何随膜表面电荷和问题的其他参数而变化。