场地有机污染物吸附行为多参数线性自由能模型研究OA北大核心CSTPCD

Accurate assessment of the sorption process of pollutants is an important step for the safe management and development of contaminated sites.We used a representative e-waste dismantling site in China as a research object to analyse the sorption properties of soil organic matter,developed a prediction model for the partition coefficient(KOC)of organic carbon,and revealed the sorption mechanism of organic pollutants on the soil organic matter in the site.The results show that the site soil organic matter has a strong sorption capacity for organic pollutants.Poly parameter linear free energy relationships(pp-LFER)show a better fit to the site sorption data than single parameter linear free energy relationships(sp-LFER)(R2=0.919).However,the validation of the established pp-LFER for soil organic matter from different areas shows a significant deviation(RMSE＞1.12).The performance of pp-LFERs is affected by the soil organic matter propreties.It may not be able to accurately predict the sorption behavior of soils in different sites.The sorption mechanism was further analysed through molecular structure descriptors and the physicochemical significance of the coefficients.It was found that hydrophobic effect and polarisation are important forces in the sorption process,with hydrogen bonding having a significant effect on strongly polar compounds.This study provides the high-precision sorption prediction model for the actual contaminated site.It provides the managers with reliable model options for risk assessment.