本文综述了氯代多环芳烃(ClPAHs)和硝基多环芳烃(NPAHs)在不同区域和不同利用类型土壤中的污染水平和赋存形态,采用 EPI Suite 软件和密度泛函理论计算获得了ClPAHs和NPAHs的极性、土壤吸附系数、快速生物降解性、轨道能级等性质,并分析了取代基种类、数量以及位置对PAHs衍生物性质和环境归趋的影响.重点总结了ClPAHs和NPAHs在土壤中的吸附-解吸、光降解、氧化还原、生物降解等迁移转化行为.最后,基于现有研究现状,希望未来能够优化检测方法、建立土壤污染数据库、丰富迁移转化数据和机理,为土壤 PAHs 污染特征和迁移转化研究提供更准确、全面信息.
Abstract
In this paper,the contamination levels and occurrence forms of chlorinated polycyclic aromatic hydrocarbons(ClPAHs)and nitrated polycyclic aromatic hydrocarbons(NPAHs)were reviewed in different regions and different utilization types of soils.The properties of ClPAHs and NPAHs,such as polarity,soil adsorption coefficient,bioconcentration factors,and energy level orbit were obtained by EPI Suite software and density functional theory calculation.The effects of the type,quantity and location of substituent groups on the properties and environmental trend of PAHs derivatives were also analyzed.Meanwhile,the migration behaviors of ClPAHs and NPAHs in soils,such as adsorption-desorption,photodegradation,redox and biodegradation,were summarized emphatically.Finally,the currently existing problems and trends of PAHs derivatives were also discussed.It is necessary to further optimize the detection method,establish the soil PAHs derivatives contaminant database,and explore the transformation data and mechanism,in order to provide more comprehensive information for soil PAHs derivatives contamination characteristics and migration.
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