Qiu Hao, Wang Xianping, Choi Anthony, Zhao Wenbing
Annu Int Conf IEEE Eng Med Biol Soc. 2018 Jul;2018:4194-4197. doi: 10.1109/EMBC.2018.8513279.
Nanopores with polyelectrolyte brushes in a pHregulated 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.
对pH调节离子通道中带有聚电解质刷的纳米孔进行了模拟。考虑到pH值、多种离子种类的存在以及本体离子浓度的影响，研究了电动离子传输。采用了一个基于连续介质的模型，该模型由用于离子质量传输与电势耦合的泊松-能斯特-普朗克方程，以及用于流体流动的纳维-斯托克斯方程和布林克曼方程组成。我们的结果表明，本体离子浓度和pH值共同作用可以极大地影响聚电解质刷的电荷、纳米孔中的电势分布，并且流体流动对pH值变化敏感。
