Our paper—entitled “Mathematical Modeling and Experimental Investigations of the Charge-Discharge Mechanisms in Aqueous Batteries“—has been accepted for publication in the Journal of The Electrochemical Society. The paper presents a one-dimensional continuum-scale modeling framework to investigate the reactive transport and charge-transport processes governing aqueous battery charge-discharge behavior. By accounting for multiple chemical and electrochemical reactions, including nucleation, deposition, dissolution, gas evolution, and intercalation, as well as reaction-induced changes in electrolyte pH and reactive surface area, the framework provides a mechanistic tool for studying diverse aqueous battery chemistries. Model-experiment comparisons for acidic H2-Mn, near-neutral Zn-MnO2, and alkaline Sn-NiOOH systems highlight the key processes controlling battery efficiency and performance. Overall, this work helps advance the design of high-utilization, low-cost aqueous batteries for grid-scale energy storage.

Our paper—entitled “Coupled two-phase flow and surfactant/PFAS transport in porous media with angular pores: From pore-scale physics to Darcy-scale modeling“—is recently accepted for publication in the Advances in Water Resource Journal. The paper presents a modeling framework to translate interfacial phenomena and transport processes relevant to surfactant/PFAS from pore-scale into Darcy-scale. We provide a mechanistic tool to study the complex interactions between transient two-phase flow and surfactant/PFAS transport processes in diverse porous media. Example simulations highlight the critical role of pore angularity in PFAS transport and retention in unsaturated soils.

Our paper—entitled “Semi-analytical solutions for nonequilibrium transport and transformation of PFAS and other solutes in heterogeneous vadose zones with structured porous media“—is recently accepted for publication in the Advances in Water Resource Journal. The paper presents a group of semi-analytical models for simulating PFAS transport and transformation in heterogeneous vadose zones. The models are validated by experimentally measured breakthrough curves for varying solutes (PFAS and other nonreactive/reactive solutes), soil types, and wetting conditions. Based on numerical experiments, we also derive model simplification strategies for modeling PFAS transport and transformation in vadose zones at contamination sites. Overall, the models provide practical tools for assessing long-term fate and transport of PFAS in the vadose zone and mass discharge to groundwater.