Mathematical Modeling of Ion Transport through Nanopores

The study of transport of ionic species through a nanopore is important in determining the underlying behavior of electrolytes on the nanoscale; the understanding of which has important applications in the development of biomolecular sensors and nanofluidic diodes. Here, we present a novel model for ion transport through a nanopore that couples the Poisson-Nernst-Planck equations with Butler-Volmer kinetics at the electrode/electrolyte interface. This model overcomes an implicit and unintended assumption of existing models, where the simulated current-voltage curve depends on the size of the electrolyte reservoirs on either side of the nanopore. Furthermore, solutions to the proposed model allow for meaningful comparison of simulated current-voltage curves with experimental results available in the literature. These simulated results accurately predict the magnitude of the experimental current over the positive potential region.