有机污染物阳极氧化数学建模:综述

IF 15 2区 环境科学与生态学 Q1 CHEMISTRY, MULTIDISCIPLINARY
Ekaterina Skolotneva, Andrey Kislyi, Anastasiia Klevtsova, Davide Clematis, Semyon Mareev, Marco Panizza
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引用次数: 0

摘要

阳极氧化法具有高非选择性和高效性,是一种很有前景的去除水中有机污染物的方法。然而,由于其电流效率低、能耗高和处理率低,其广泛应用受到了限制。通过将实验研究与数学建模相结合,对工艺参数、反应器设计和电极几何形状进行优化,可以解决这些问题。在此,我们将回顾阳极氧化的建模过程,重点介绍该过程的基本原理、实际废水中的竞争现象、流动池和间歇池、历史方面、一般建模方程、板电极建模、多孔三维电极建模和密度泛函理论。数学建模可以提供系统中的电流、电压和浓度分布。数学模型还可以确定扩散层厚度、流速、应用电流密度、溶液处理时间、有机污染物初始浓度和扩散系数、电极表面积和氧化反应速率常数等参数对性能的影响。通过数学模型可以确定过程的限制因素是动力学还是扩散,并研究各种现象竞争的影响。密度泛函理论提供了有关可能的反应途径和副产物的信息。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Mathematical modeling of the anodic oxidation of organic pollutants: a review

Mathematical modeling of the anodic oxidation of organic pollutants: a review

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.

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来源期刊
Environmental Chemistry Letters
Environmental Chemistry Letters 环境科学-工程:环境
CiteScore
32.00
自引率
7.00%
发文量
175
审稿时长
2 months
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.
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