Validating the Nernst–Planck transport model under reaction-driven flow conditions using RetroPy v1.0

Abstract

Reactive transport processes in natural environments often involve many ionic species. The diffusivities of ionic species vary. Since assigning different diffusivities in the advection–diffusion equation leads to charge imbalance, a single diffusivity is usually used for all species. In this work, we apply the Nernst–Planck equation, which resolves unequal diffusivities of the species in an electroneutral manner, to model reactive transport. To demonstrate the advantages of the Nernst–Planck model, we compare the simulation results of transport under reaction-driven flow conditions using the Nernst–Planck model with those of the commonly used single-diffusivity model. All simulations are also compared to well-defined experiments on the scale of centimeters. Our results show that the Nernst–Planck model is valid and particularly relevant for modeling reactive transport processes with an intricate interplay among diffusion, reaction, electromigration, and density-driven convection.