Kinetic analysis for the interpretation of polychlorinated biphenyls removal mechanism

IF 1.5 4区 化学 Q4 CHEMISTRY, PHYSICAL International Journal of Chemical Kinetics Pub Date : 2024-05-20 DOI:10.1002/kin.21728
Arash Maghami, Nooshin Gholipour-Zanjani, Farhad Khorasheh, Mehdi Ardjmand
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Abstract

Removing polychlorinated biphenyls (PCBs) from subsurface water, soils, and transformer oil is crucial to save the environment from these pollutant materials. Hydrodechlorination (HDC) of PCBs consists of numerous chemical reactions and the simple kinetic models may not provide details for the process. To gain more awareness of the reaction mechanism, in the proposed approach, the isoconversional methods of the Friedman were investigated paralleling other kinetic models of Langmuir-Hinshelwood (L-H), Eley-Rideal (E-R), pseudo-first-order, and pseudo-second-order methods. The analysis was validated by laboratory results of HDC of contaminated transformer oil in front of Pd/MWCNTs. The most reactivity was observed for biphenyls with a higher number of chlorines. Finding a suitable model, Akaike Information Criteria were applied. It was attained that Friedman model was the most suitable for monitoring of HDC of PCBs in front of catalyst. Besides, E-R reaction was appropriate to elucidate the theoretical interpretations of the adsorption and desorption of reactants and chlorinated benzene.

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用于解释多氯联苯去除机制的动力学分析
清除地下水、土壤和变压器油中的多氯联苯(PCBs)对于保护环境免受这些污染物质的危害至关重要。多氯联苯的加氢脱氯反应(HDC)由许多化学反应组成,简单的动力学模型可能无法提供反应过程的详细信息。为了更深入地了解反应机理,在所提出的方法中,研究了弗里德曼的等转化法,并同时研究了其他动力学模型,如朗缪尔-欣舍伍德(L-H)、埃利-里德尔(E-R)、伪一阶和伪二阶方法。实验室对 Pd/MWCNT 前受污染变压器油的 HDC 结果验证了这一分析。氯含量较高的联苯的反应性最强。为了找到合适的模型,采用了 Akaike 信息标准。结果表明,Friedman 模型最适合用于监测催化剂前多氯联苯的 HDC。此外,E-R 反应适用于阐明反应物和氯化苯的吸附和解吸的理论解释。
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来源期刊
CiteScore
3.30
自引率
6.70%
发文量
74
审稿时长
3 months
期刊介绍: As the leading archival journal devoted exclusively to chemical kinetics, the International Journal of Chemical Kinetics publishes original research in gas phase, condensed phase, and polymer reaction kinetics, as well as biochemical and surface kinetics. The Journal seeks to be the primary archive for careful experimental measurements of reaction kinetics, in both simple and complex systems. The Journal also presents new developments in applied theoretical kinetics and publishes large kinetic models, and the algorithms and estimates used in these models. These include methods for handling the large reaction networks important in biochemistry, catalysis, and free radical chemistry. In addition, the Journal explores such topics as the quantitative relationships between molecular structure and chemical reactivity, organic/inorganic chemistry and reaction mechanisms, and the reactive chemistry at interfaces.
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