Huang Yuhong, Zhao Xiaopeng, Yang Boyi, Tang Yukai, Zhou Dongmei, Gu Xueyuan
State Key Laboratory of Water Pollution Control and Green Resource Recycling, School of Environment, Nanjing University, Nanjing 210023, PR China.
State Key Laboratory of Water Pollution Control and Green Resource Recycling, School of Environment, Nanjing University, Nanjing 210023, PR China.
J Hazard Mater. 2025 Sep 15;496:139191. doi: 10.1016/j.jhazmat.2025.139191. Epub 2025 Jul 9.
Predicting the partitioning behavior of Sb(V), a global environmental pollutant, at the solid-liquid interface in soils is crucial for understanding its environmental transport. However, existing geochemical models exhibit significant limitations. In this study, batch adsorption experiments integrated with reported microscopic surface species, were used to develop the surface complexation models for Sb(V) adsorption on goethite and ferrihydrite. Then, these two sub-models were integrated, along with consideration of the presence or absence of P(V) and soil organic matter (SOM), to construct the multi-surface speciation model (MSM) for Sb(V) partition in soils. The SCM depicted the presence of both bidentate and monodentate complexes for Sb(V) on iron oxides under various hydrochemical conditions. The constructed MSM performed well in predicting Sb(V) adsorption on all twelve studied soils, while the comparisons of four MSM scenarios indicated that considering the presence of both P(V) and SOM simultaneously yielded best model performance. In addition, the competitive effect of the reactive organic matter component (RO) could be quantitatively estimated by establishing the relationships between the RO and both SOM and iron oxide content. This study presents an advanced yet simple geochemical model approach for the qualitative and quantitative prediction of Sb(V) partition in complex soil environments.
预测全球环境污染物锑（V）在土壤固液界面的分配行为对于理解其环境迁移至关重要。然而，现有的地球化学模型存在显著局限性。在本研究中，结合已报道的微观表面物种进行的批量吸附实验，用于建立锑（V）在针铁矿和水铁矿上吸附的表面络合模型。然后，将这两个子模型整合，并考虑磷（V）和土壤有机质（SOM）的存在与否，构建土壤中锑（V）分配的多表面形态模型（MSM）。表面络合模型（SCM）描述了在各种水化学条件下，锑（V）在铁氧化物上存在双齿和单齿络合物。构建的MSM在预测锑（V）在所有十二种研究土壤上的吸附方面表现良好，而四种MSM情景的比较表明，同时考虑磷（V）和SOM的存在产生了最佳的模型性能。此外，通过建立反应性有机物组分（RO）与SOM和铁氧化物含量之间的关系，可以定量估计RO的竞争效应。本研究提出了一种先进而简单的地球化学模型方法，用于定性和定量预测复杂土壤环境中锑（V）的分配。
