Kinetics of and solvent effects on photodegradation of hexachlorobenzene (HCB) and endosulfan (endosulfan I and endosulfan II) in solution

IF 5.3 2区 环境科学与生态学 Q1 ENVIRONMENTAL SCIENCES Emerging Contaminants Pub Date : 2024-06-12 DOI:10.1016/j.emcon.2024.100379
Ye Wu , Yan Lv , Jun Jin , Yuhao Fan , Ru Li , Junsong Bao , Junjie Jiang , Jiali Han , Ying Wang
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Abstract

Organochlorine pesticides are chlorinated hydrocarbon compounds. The production and use of organochlorine pesticides have been restricted around the world because they are persistent and toxic and able to undergo long-range transport and bioaccumulate. It is necessary to develop efficient techniques for eliminating organochlorine pesticides from environmental media, and we also need to better understand how these techniques operate. Understanding how organochlorine herbicides behave in various environmental settings is very crucial. We looked on the photodegradation of endosulfan (endosulfan I and II) and hexachlorobenzene (HCB), two common organochlorine insecticides. Tests were conducted with pesticides at different concentrations, dissolved in various organic solvents, and exposed to light at different wavelengths. Density Functional Theory (DFT) was employed to study solvent effects. Degradation kinetics followed first-order models. The pesticides dissolved in various organic solvents showed a decrease in their degradation rates in the following order: toluene > acetone > n-hexane. It was discovered that there was a good chance the Cl atoms on the benzene ring in HCB would be eliminated through nucleophilic processes. It was discovered that endosulfan breaks preferentially at the SO double bond. The findings will aid in the development of strategies for successfully eliminating organochlorine pesticides from environmental media by aiding in the prediction and assessment of the photochemical behaviors of the pesticides under various environmental circumstances.

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六氯苯(HCB)和硫丹(硫丹 I 和硫丹 II)在溶液中的光降解动力学及溶剂效应
有机氯农药是氯化碳氢化合物。由于有机氯杀虫剂具有持久性和毒性,能够进行远距离迁移和生物累积,因此其生产和使用已在全球范围内受到限制。有必要开发有效的技术来消除环境介质中的有机氯农药,同时我们也需要更好地了解这些技术是如何运作的。了解有机氯除草剂在各种环境中的表现非常重要。我们研究了硫丹(硫丹 I 和 II)和六氯苯(HCB)这两种常见有机氯杀虫剂的光降解。测试使用了不同浓度的杀虫剂,将其溶解在各种有机溶剂中,并暴露在不同波长的光线下。密度泛函理论(DFT)被用来研究溶剂效应。降解动力学遵循一阶模型。溶解在各种有机溶剂中的农药的降解率依次为:甲苯、丙酮、正己烷。研究发现,六氯代苯苯环上的 Cl 原子很有可能通过亲核过程被消除。研究还发现,硫丹会优先断裂 SO 双键。通过预测和评估农药在各种环境条件下的光化学行为,这些发现将有助于制定从环境介质中成功消除有机氯农药的战略。
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来源期刊
Emerging Contaminants
Emerging Contaminants Medicine-Public Health, Environmental and Occupational Health
CiteScore
10.00
自引率
6.70%
发文量
35
审稿时长
44 days
期刊介绍: Emerging Contaminants is an outlet for world-leading research addressing problems associated with environmental contamination caused by emerging contaminants and their solutions. Emerging contaminants are defined as chemicals that are not currently (or have been only recently) regulated and about which there exist concerns regarding their impact on human or ecological health. Examples of emerging contaminants include disinfection by-products, pharmaceutical and personal care products, persistent organic chemicals, and mercury etc. as well as their degradation products. We encourage papers addressing science that facilitates greater understanding of the nature, extent, and impacts of the presence of emerging contaminants in the environment; technology that exploits original principles to reduce and control their environmental presence; as well as the development, implementation and efficacy of national and international policies to protect human health and the environment from emerging contaminants.
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