García-Gil, ÁngelaFeng, LingMoreno-SanSegundo, José ÁngelGiannakis, StefanosPulgarín, CésarMarugán, Javier2024-02-092024-02-092022-07-01Garcia-Gil, A., Feng, L., Moreno-SanSegundo, J., Giannakis, S., Pulgarin, C., & Marugan, J. (2022). Mechanistic modelling of solar disinfection (SODIS) kinetics of Escherichia coli, enhanced with H2O2–Part 2: Shine on you, crazy peroxide. Chemical Engineering Journal, 439, 135783.1385-8947https://hdl.handle.net/10115/30203Se trata del estudio más riguroso del mecanismo de desinfección en el proceso Sodis. Esta segunda parte se centra en la interacción entre la radiación solar y los ciclos de oxidación-reducción del interior de la célula bacteriana.In this second part of the development of a mechanistic kinetic model of the solar inactivation of E. coli enhanced with hydrogen peroxide, we evaluate the mechanisms based on photonic inactivation and integrate them into the kinetic model of the dark process developed in Part 1. The direct photonic inactivation was modelled using a series-event model based on the accumulation of damage by photons and it was coupled with the model used in Part 1 for modelling the damage caused by radicals using a multiple target – multiple hit model, including recovery constant to define the ability of cells to face the specific photonic damage. Catalase and superoxide dismutase inactivation, the intracellular photo-Fenton reaction, and the overproduction of O2•- in the NADH/NAD+ cycle under solar light were included in the model. Finally, the synergistic effect of the photonic damage with thermal inactivation was included in the kinetic constant of the series-event expression in terms of an Arrhenius equation. The kinetic parameters were obtained by model regression using experimental data at different temperatures, solar radiation, as well as initial cellular and H2O2 concentrations. Our model predictions can accurately describe the experimental data of the SODIS process enhanced with H2O2, thus being very useful to estimate disinfection profiles and inactivation routes at different irradiance conditions, water temperature and H2O2 concentration. Finally, an integrated mechanism of E. coli inactivation under the SODIS/H2O2 process is provided.engSodisSolarMechanistic modellingPhoto Fentoninfo:eu-repo/semantics/article10.1016/j.cej.2022.135783info:eu-repo/semantics/restrictedAccess