Mathematical modeling and simulation of the reaction environment in electrochemical reactors

An electrochemical reactor, enabling controlled flow and capable of including a varied range of forms of electrodes, is important in the studies of electrochemical processes, such as energy production and storage, electrosynthesis of chemicals, electrowinning of metals, purification of water, wastewater treatment, remediation of soils, and so on, before the process development and scale-up. Here, we reviewed recent advances in modeling and simulation of the reaction environment in many electrochemical reactors used in multiple applications. The importance of computational fluid dynamics simulations to study existing reactors and to design novel reactor geometries and some components of existing cells is discussed. Aspects include the effect of electrolyte velocity on the flow dispersion, mass transport rates, and current distribution.