{"title":"应用二维和三维流体动力学建模研究涂层开放微通道中的光催化抗生素降解问题","authors":"","doi":"10.1016/j.jece.2024.114173","DOIUrl":null,"url":null,"abstract":"<div><div>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-TiO<sub>2</sub> coated open microchannels with gravity-driven flow under UV-A irradiation. The deposition of different amounts of TiO<sub>2</sub> in the microchannels was carried out <em>via</em> a facile, self-developed procedure. The degradation kinetics of ciprofloxacin was described <em>via</em> 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.</div></div>","PeriodicalId":15759,"journal":{"name":"Journal of Environmental Chemical Engineering","volume":null,"pages":null},"PeriodicalIF":7.4000,"publicationDate":"2024-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Photocatalytic antibiotic degradation in coated open microchannels by applying 2D and 3D flow modeling with kinetics\",\"authors\":\"\",\"doi\":\"10.1016/j.jece.2024.114173\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>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-TiO<sub>2</sub> coated open microchannels with gravity-driven flow under UV-A irradiation. The deposition of different amounts of TiO<sub>2</sub> in the microchannels was carried out <em>via</em> a facile, self-developed procedure. The degradation kinetics of ciprofloxacin was described <em>via</em> 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.</div></div>\",\"PeriodicalId\":15759,\"journal\":{\"name\":\"Journal of Environmental Chemical Engineering\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":7.4000,\"publicationDate\":\"2024-09-18\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Environmental Chemical Engineering\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S2213343724023042\",\"RegionNum\":2,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"ENGINEERING, CHEMICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Environmental Chemical Engineering","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2213343724023042","RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"ENGINEERING, CHEMICAL","Score":null,"Total":0}
Photocatalytic antibiotic degradation in coated open microchannels by applying 2D and 3D flow modeling with kinetics
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.
期刊介绍:
The Journal of Environmental Chemical Engineering (JECE) serves as a platform for the dissemination of original and innovative research focusing on the advancement of environmentally-friendly, sustainable technologies. JECE emphasizes the transition towards a carbon-neutral circular economy and a self-sufficient bio-based economy. Topics covered include soil, water, wastewater, and air decontamination; pollution monitoring, prevention, and control; advanced analytics, sensors, impact and risk assessment methodologies in environmental chemical engineering; resource recovery (water, nutrients, materials, energy); industrial ecology; valorization of waste streams; waste management (including e-waste); climate-water-energy-food nexus; novel materials for environmental, chemical, and energy applications; sustainability and environmental safety; water digitalization, water data science, and machine learning; process integration and intensification; recent developments in green chemistry for synthesis, catalysis, and energy; and original research on contaminants of emerging concern, persistent chemicals, and priority substances, including microplastics, nanoplastics, nanomaterials, micropollutants, antimicrobial resistance genes, and emerging pathogens (viruses, bacteria, parasites) of environmental significance.