{"title":"有机污染物阳极氧化数学建模:综述","authors":"Ekaterina Skolotneva, Andrey Kislyi, Anastasiia Klevtsova, Davide Clematis, Semyon Mareev, Marco Panizza","doi":"10.1007/s10311-023-01693-0","DOIUrl":null,"url":null,"abstract":"<div><p>Anodic oxidation is a promising method for removing organic pollutants from water due to its high nonselectivity and effectiveness. Nevertheless, its widespread application is limited due to its low current efficiency, high energy consumption and low treatment rates. These problems may be overcome by the optimization of the process parameters, reactor design and electrode geometry, by coupling the experimental investigations with mathematical modeling. Here we review the modeling of anodic oxidation with focus on basics of this process, the competition phenomenon in real wastewater, flow cells and batch cells, historical aspects, general modeling equations, modeling with plate electrodes, modeling with porous 3-dimension electrodes and the density functional theory. Mathematical modeling can provide current, voltage and concentration distributions in the system. Mathematical modeling can also determine the effects on the performance of parameters such as diffusion layer thickness, flow velocity, applied current density, solution treatment time, initial concentration and diffusion coefficients of organic pollutants, electrode surface area, and oxidation reaction rate constant. Mathematical models allow to determine whether the limiting factor of the process is kinetics or diffusion, and to study the impact of competition of phenomena. The density functional theory provides information on probable reaction pathways and by-products.</p></div>","PeriodicalId":541,"journal":{"name":"Environmental Chemistry Letters","volume":"22 3","pages":"1521 - 1561"},"PeriodicalIF":15.0000,"publicationDate":"2024-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Mathematical modeling of the anodic oxidation of organic pollutants: a review\",\"authors\":\"Ekaterina Skolotneva, Andrey Kislyi, Anastasiia Klevtsova, Davide Clematis, Semyon Mareev, Marco Panizza\",\"doi\":\"10.1007/s10311-023-01693-0\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Anodic oxidation is a promising method for removing organic pollutants from water due to its high nonselectivity and effectiveness. Nevertheless, its widespread application is limited due to its low current efficiency, high energy consumption and low treatment rates. These problems may be overcome by the optimization of the process parameters, reactor design and electrode geometry, by coupling the experimental investigations with mathematical modeling. Here we review the modeling of anodic oxidation with focus on basics of this process, the competition phenomenon in real wastewater, flow cells and batch cells, historical aspects, general modeling equations, modeling with plate electrodes, modeling with porous 3-dimension electrodes and the density functional theory. Mathematical modeling can provide current, voltage and concentration distributions in the system. Mathematical modeling can also determine the effects on the performance of parameters such as diffusion layer thickness, flow velocity, applied current density, solution treatment time, initial concentration and diffusion coefficients of organic pollutants, electrode surface area, and oxidation reaction rate constant. Mathematical models allow to determine whether the limiting factor of the process is kinetics or diffusion, and to study the impact of competition of phenomena. The density functional theory provides information on probable reaction pathways and by-products.</p></div>\",\"PeriodicalId\":541,\"journal\":{\"name\":\"Environmental Chemistry Letters\",\"volume\":\"22 3\",\"pages\":\"1521 - 1561\"},\"PeriodicalIF\":15.0000,\"publicationDate\":\"2024-02-27\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Environmental Chemistry Letters\",\"FirstCategoryId\":\"93\",\"ListUrlMain\":\"https://link.springer.com/article/10.1007/s10311-023-01693-0\",\"RegionNum\":2,\"RegionCategory\":\"环境科学与生态学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Environmental Chemistry Letters","FirstCategoryId":"93","ListUrlMain":"https://link.springer.com/article/10.1007/s10311-023-01693-0","RegionNum":2,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
Mathematical modeling of the anodic oxidation of organic pollutants: a review
Anodic oxidation is a promising method for removing organic pollutants from water due to its high nonselectivity and effectiveness. Nevertheless, its widespread application is limited due to its low current efficiency, high energy consumption and low treatment rates. These problems may be overcome by the optimization of the process parameters, reactor design and electrode geometry, by coupling the experimental investigations with mathematical modeling. Here we review the modeling of anodic oxidation with focus on basics of this process, the competition phenomenon in real wastewater, flow cells and batch cells, historical aspects, general modeling equations, modeling with plate electrodes, modeling with porous 3-dimension electrodes and the density functional theory. Mathematical modeling can provide current, voltage and concentration distributions in the system. Mathematical modeling can also determine the effects on the performance of parameters such as diffusion layer thickness, flow velocity, applied current density, solution treatment time, initial concentration and diffusion coefficients of organic pollutants, electrode surface area, and oxidation reaction rate constant. Mathematical models allow to determine whether the limiting factor of the process is kinetics or diffusion, and to study the impact of competition of phenomena. The density functional theory provides information on probable reaction pathways and by-products.
期刊介绍:
Environmental Chemistry Letters explores the intersections of geology, chemistry, physics, and biology. Published articles are of paramount importance to the examination of both natural and engineered environments. The journal features original and review articles of exceptional significance, encompassing topics such as the characterization of natural and impacted environments, the behavior, prevention, treatment, and control of mineral, organic, and radioactive pollutants. It also delves into interfacial studies involving diverse media like soil, sediment, water, air, organisms, and food. Additionally, the journal covers green chemistry, environmentally friendly synthetic pathways, alternative fuels, ecotoxicology, risk assessment, environmental processes and modeling, environmental technologies, remediation and control, and environmental analytical chemistry using biomolecular tools and tracers.