Abstract
Considering the urgent needs in recycling water for various usage through a nanoporous membrane, we investigated its ion-rejection performance under various conditions based on coupled Navier-Stokes and Poisson-Nernst-Planck (PNP) equations, focusing on its shape and charged conditions. In particular, we considered four kinds of nanopore, bullet-shaped, cylindrical, hourglass-shaped, and trumpet-shaped, each can be unipolarly or bipolarly charged, thereby making the design more versatile. In addition, the charged conditions on the surface of a nanopore are pH-regulated so that the results gathered are more realistic. Both the case of single salt (MgCl2, K2SO4, and KCl) and mixed salt (K2SO4 + MgCl2) were simulated. The electrokinetic behavior of a nanopore was examined comprehensively, along with a detailed discussed on the underlying mechanism.
Published Version
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