Review-Mathematical Formulations of Electrochemically Gas-Evolving Systems

Electrochemically gas-evolving systems are utilized in alkaline water electrolysis, hydrogen production, and many other applications. To design and optimize these systems, high-fidelity models must account for electron-transfer, chemical reactions, thermodynamics, electrode porosity, and hydrodynamics as well as the interconnectedness of these phenomena. Further complicating these models is the production and presence of bubbles. Bubble nucleation naturally occurs due to the chemical reactions and impacts the reaction rate. Modeling bubble growth requires an accurate accounting of interfacial mass transfer. When the bubble becomes large, detachment occurs and the system is modeled as a two-phase flow where the bubbles can then impact material transport in the bulk. In this paper, we review the governing mathematical models of the physicochemical life cycle of a bubble in an electrolytic medium from a multiscale, multiphysics viewpoint. For each phase of the bubble life cycle, the prevailing mathematical formulations are reviewed and compared with particular attention paid to physicochemical processes and the impact the bubble. Through the review of a broad range of models, we provide a compilation of the current state of bubble modeling in electrochemically gas-evolving systems.