A mathematical model to simulate the release of Fe and Mn from sediments in a drinking water reservoir

Fe and Mn release from sediments promotes the release of other chemicals and jointly affects downstream water safety, especially in drinking water reservoirs. Quantitative research on release processes and flux estimation methods for endogenous Fe and Mn in reservoirs is still limited. Static incubation experiments were designed to systematically explore the effects of water temperature (WT), dissolved oxygen (DO), pH, carbon sources, and microbial activity on Fe and Mn release. The results showed that increased WT and carbon source addition promoted the release of acid-extractable Fe and Mn from the sediments; hypoxia and acidification promoted the dissolution of reducible sediment Fe and Mn; and microorganisms participated in the cycling of Fe and Mn. Based on the experimental results, first-order kinetic equations for sediment Fe and Mn release to overlying water were proposed, and the relationships between release rate and environmental factors were mathematically represented by a surface equation (R² = 0.88 and 0.86, respectively). A diffusion gradients in thin films (DGT) device based on the diffusion model was used in situ to obtain the diffusion fluxes of Fe (J_Fe = 13.93 mg m^-2 d^-1) and Mn (J_Mn = 3.48 mg m^-2 d^-1). When environmental factors obtained in the field were introduced into the established mathematical model, the modeled release fluxes of Fe and Mn were R_Fe = 20.92 mg m^-2 d^-1 and R_Mn = 13.12 mg m^-2 d^-1, respectively. The established model filled gaps in the diffusion model, which does not account for differences in release fluxes under changing physicochemical water conditions. This work serves as a reference for studying the release fluxes of endogenous chemicals in sediments.