Modelling selenium behavior in aquatic systems: a review of status, challenges, and opportunities

Selenium (Se) is an essential element for aquatic organisms as well as humans. It can be toxic to organisms depending on its concentration and chemical speciation; thus, considerable efforts have been made to unravel the biogeochemical cycling of Se in aquatic systems. Mathematical models provide an important tool to better understand the fate of Se in different environment compartments. However, a comprehensive review of modeling Se in aquatic systems with current challenges and opportunities is missing. To fill this gap, we firstly summarize the processes governing Se cycling in aquatic systems, including particle adsorption and desorption, diffusion, biological uptake, redox reactions, and volatilization. Then, we critically review the available models, identifying the compartments modelled, environmental factors considered, and the Se species and geochemical processes used in each model, providing an assessment of their advantages and limitations. Data availability for modeling studies is investigated, highlighting how to better quantify the redox reactions, estimate of Se loadings, and mass balance. For the modeling of Se cycling in aquatic systems, the ability of the models to link sources to biota concentrations under a range of hydrodynamic conditions and with mechanistic representations of transport, transformation, and uptake processes is required. The majority of the current models can conduct this task; however, to better present the uptake processes of Se in the food web, two-way coupling of the Se cycling model with a food web model is recommended.