Kim Sung Cheol, Kannam Sridhar Kumar, Harrer Stefan, Downton Matthew T, Moore Stephen, Wagner John M
IBM Research Australia, 204 Lygon Street, 3053 Carlton, Victoria, Australia.
IBM Research Collaboratory for Life Sciences-Melbourne, Victorian Life Sciences Computation Initiative, The University of Melbourne, 3010 Melbourne, Victoria, Australia.
Phys Rev E Stat Nonlin Soft Matter Phys. 2014 Apr;89(4):042702. doi: 10.1103/PhysRevE.89.042702. Epub 2014 Apr 4.
We study the effect of a neutral particle on the ionic flow through a nanopore using a basic uniform field theory and the coupled Poisson-Nernst-Planck and Navier-Stokes (PNP-NS) equations. We consider hourglass and cylindrical pore profiles and examine how the difference in pore shape changes the position dependence of the current change due to the particle. Good quantitative agreement between both calculations is seen, though we find that the simple theory is unable to correctly capture the change in the access resistance of the pore if a particle is placed at the pore entrance. Finally, we examine the spatial variations in the solutions of the PNP-NS equations, finding that the electro-osmotic flow through the pore is completely disrupted for sufficiently large particles.
我们使用基本的均匀场理论以及耦合的泊松-能斯特-普朗克方程和纳维-斯托克斯(PNP-NS)方程,研究中性粒子对通过纳米孔的离子流的影响。我们考虑沙漏形和圆柱形的孔轮廓,并研究孔形状的差异如何改变由于粒子导致的电流变化的位置依赖性。尽管我们发现如果在孔入口处放置一个粒子,简单理论无法正确捕捉孔的接入电阻的变化,但两种计算之间仍呈现出良好的定量一致性。最后,我们研究了PNP-NS方程解的空间变化,发现对于足够大的粒子,通过孔的电渗流会完全被破坏。