Abstract
The challenge of the multiscale modeling framework under the flow battery context mainly comes from the gap between the micro-scale and macro-scale modeling. The microscopic properties obtained from atomistic level approaches are challenging to be associated with macroscopic observables. To bridge this gap, many research topics were carried out in mesoscale modeling. This chapter starts with the discussion of electrode kinetics, which is the vital mechanism behind electrochemistry reactions. Three types of kinetic rate calculations were discussed and compared, including the classic approximation of the Butler–Volmer equation, the Marcus–Hush theory, and the Marcus–Hush–Chidsey theory. Then, this chapter introduces three popular mesoscale modeling approaches, including the Monte Carlo method, the Dissipative particle dynamics, and the Lattice Boltzmann methods. The methodology was presented for each modeling approach, followed by several representative application examples in flow batteries or similar porous media modelings. Both advantages and limitations, along with some future modeling perspectives, are also discussed.