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Simulation of pH-Regulated Electrokinetic Ion Transport in Nanopores with Polyelectrolyte Brushes

机译:用聚电解质刷模拟pH调节的纳米孔中电动离子的迁移

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Nanopores with polyelectrolyte brushes in a pH-regulated ion channel have been simulated. Electrokinetic ion transport was studied taking account of the effects of pH, presence of multiple ionic species and bulk ionic concentration. A continuum-based model that composed of coupled Poisson-Nernst- Planck equations for the ionic mass transport with electric potential, and Navier-Stokes and Brinkman equations for the fluid flow, were employed. Our results demonstrate that the bulk ionic concentration and pH together can greatly influence the charge of the polyelectrolyte brushes, the distribution of electric potential in the nanopore and also the fluid flow is sensitive to the pH variations.
机译:在pH调节离子通道中使用聚电解质刷对纳米孔进行了模拟。考虑到pH值,多种离子种类的存在和整体离子浓度的影响,对电动离子迁移进行了研究。使用基于连续体的模型,该模型由带电势的离子质量传输的耦合的Poisson-Nernst-Planck方程以及用于流体流动的Navier-Stokes和Brinkman方程组成。我们的结果表明,总的离子浓度和pH值一起可以极大地影响聚电解质刷的电荷,纳米孔中的电势分布以及流体流量对pH值变化敏感。

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