Mathematical modeling of the anodic oxidation of organic pollutants: a review

Abstract

Anodic oxidation is a promising method for removing organic pollutants from water due to its high nonselectivity and effectiveness. Nevertheless, its widespread application is limited due to its low current efficiency, high energy consumption and low treatment rates. These problems may be overcome by the optimization of the process parameters, reactor design and electrode geometry, by coupling the experimental investigations with mathematical modeling. Here we review the modeling of anodic oxidation with focus on basics of this process, the competition phenomenon in real wastewater, flow cells and batch cells, historical aspects, general modeling equations, modeling with plate electrodes, modeling with porous 3-dimension electrodes and the density functional theory. Mathematical modeling can provide current, voltage and concentration distributions in the system. Mathematical modeling can also determine the effects on the performance of parameters such as diffusion layer thickness, flow velocity, applied current density, solution treatment time, initial concentration and diffusion coefficients of organic pollutants, electrode surface area, and oxidation reaction rate constant. Mathematical models allow to determine whether the limiting factor of the process is kinetics or diffusion, and to study the impact of competition of phenomena. The density functional theory provides information on probable reaction pathways and by-products.