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Recent advances on modeling of solar heterogeneous photocatalytic reactors applied for degradation of pharmaceuticals and emerging organic contaminants in water
Current Opinion in Green and Sustainable Chemistry ( IF 9.3 ) Pub Date : 2021-03-29 , DOI: 10.1016/j.cogsc.2021.100486
Miguel Angel Mueses , José Colina-Márquez , Fiderman Machuca-Martínez , Gianluca Li Puma

A short critical review of the state-of-the-art and emerging trends on mathematical modeling of heterogeneous photocatalytic solar reactors, applied for the degradation of emerging contaminants (EC) in water, is presented. The review discusses key aspects about EC reaction kinetics, solar and artificial radiation emission models, absorption-scattering models for evaluation of the radiant field in large-scale photoreactors, and mathematical models based on solar and artificial radiation-assisted heterogeneous photocatalysis. It includes the perspectives in mathematical modeling to aid the implementation of full-scale treatment of EC in water by heterogeneous photocatalysis. The main factors that need to be further developed are: (i) the incorporation of the impact of contaminants and water matrix in the radiation and reaction kinetics models; (ii) the influence of hydrodynamics on the radiation field of the photoreactor; (iii) the optimum design criteria of photoreactors related to a wide spectrum of photocatalysts; (iv) the transient reactor models taking into account the daily and hourly fluctuations of temperature and solar irradiation; and (v) the open-access software for wider dissemination of photoreactor modeling procedures.



中文翻译:

太阳能非均质光催化反应器建模的最新进展,该反应器可用于降解药物和水中新出现的有机污染物

本文简要概述了非均相光催化太阳能反应堆数学模型的最新技术和新兴趋势,这些数学模型用于降解水中的新兴污染物(EC)。这篇综述讨论了有关EC反应动力学,太阳和人工辐射发射模型,用于评估大型光反应器辐射场的吸收散射模型以及基于太阳和人工辐射辅助的非均相光催化的数学模型的关键方面。它包括数学建模的观点,以帮助通过非均相光催化在水中对EC进行全面处理。需要进一步发展的主要因素是:(i)将污染物和水基质的影响纳入辐射和反应动力学模型中;(ii)流体动力学对光反应器辐射场的影响;(iii)与多种光催化剂有关的光反应器的最佳设计标准;(iv)考虑温度和太阳辐射的每日和每小时波动的瞬态反应堆模型;(v)开放获取软件,用于更广泛地传播光反应器建模程序。

更新日期:2021-04-30
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