Photocatalytic antibiotic degradation in coated open microchannels by applying 2D and 3D flow modeling with kinetics

• Published in: Journal of environmental chemical engineering Vol. 12; no. 6; p. 114173
• Main Authors: Boga, Bíborka, Baur, Kevin, Timiş, Elisabeta-Cristina, Lund, Henrik, Peppel, Tim, Cristea, Vasile-Mircea, Kockmann, Norbert, Steinfeldt, Norbert
• Format: Journal Article
• Language: English
• Published: Elsevier Ltd 01.12.2024
• Subjects: CFD; Ciprofloxacin; Kinetic modeling; Microchannel; Multiphase; OptiSLang; CFD; DRS; FFMR; G; XRD; L; AOPs; SD; DV; Microchannel; MC; Fob; HPLC; IMM; CIP; PWT; CECs; Kinetic modeling; Multiphase; API; SEM; LH; Ciprofloxacin; OptiSLang; LTF
• ISSN: 2213-3437
• DOI: 10.1016/j.jece.2024.114173

The accumulation of active pharmaceutical ingredients in the aqueous environment is a serious problem that will become even more concerning in the future. In this work, the photocatalytic degradation of ciprofloxacin (CIP) in aqueous solution was assessed over P25-TiO2 coated open microchannels with gravity-driven flow under UV-A irradiation. The deposition of different amounts of TiO2 in the microchannels was carried out via a facile, self-developed procedure. The degradation kinetics of ciprofloxacin was described via the Langmuir-Hinshelwood mechanism. Since the flow characteristics in the microchannel had influence on the concentration distribution of CIP in the microchannel, the coupled momentum and mass conservation law was solved numerically in MATLAB 2023a (2D case) as well as in ANYS Fluent 2023 R1 (2D and 3D cases). Although the implemented 2D model in MATLAB 2023a allowed the preliminary estimation of the selected kinetic parameters, namely adsorption equilibrium constant and specific Langmuir-Hinshelwood rate constant, the sensitivity of the model was not satisfactory which was attributed to the empirical correlations used for the estimation of the external mass transfer coefficient. The 2D and 3D models in ANSYS Fluent 2023 R1 predicted efficiently the outlet concentration of ciprofloxacin for different inlet CIP concentrations and liquid phase flow rates. Therefore, the as developed 2D and 3D models in ANSYS Fluent 2023 R1 can be used for the design of reactors containing coated microchannels with gravity-driven flow for photocatalytic degradation of active pharmaceutical ingredients. •Channels of a falling film microreactor were coated with titania.•Langmuir-Hinshelwood kinetic model describes ciprofloxacin degradation over TiO2.•The results of the 2D and 3D model of the microreactor were compared.•2D MATLAB model allowed only the preliminary estimation of the kinetic parameters.•The fitting of kinetic parameters was performed in OptiSLang based on the 2D and 3D CFD simulations.