| 薛沁,李焱,郁何敏,王玉军.基于恒电容表面络合模型预测土壤中As（Ⅴ）吸附行为研究[J].农业环境科学学报,2024,43(2):278-284. |
| 基于恒电容表面络合模型预测土壤中As（Ⅴ）吸附行为研究 |
| Predicting the adsorption of arsenate on soils based on the constant capacitance model |
| 投稿时间：2023-03-22 |
| DOI：10.11654/jaes.2023-0220 |
| 中文关键词: 表面络合模型 As（Ⅴ） 吸附 恒电容模型 广义复合模式 |
| 英文关键词: surface complexation model As（Ⅴ） adsorption constant capacitance model generalized composite |
| 基金项目:国家重点研发计划项目（2021YFC1809102）；国家自然科学基金项目（42225701） |
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| 中文摘要: |
| 吸附是控制As在土壤中迁移的重要过程之一，为了预测As（Ⅴ）在土壤中的吸附过程，使用恒电容表面络合模型（CCM）模拟As （Ⅴ）在土壤中的吸附行为，获取As （Ⅴ）在土壤上吸附的表面络合常数，建立土壤基本理化性质（pH、有机质、碳酸钙、无定形铁/铝/锰、总铁）与As （Ⅴ）表面络合参数的线性回归模型，以阐明As在土壤中吸附的主控因子。结果显示，As （Ⅴ）在不同类型的土壤中表现出不同的吸附特征，恒电容模型能够很好地模拟As（Ⅴ）在不同pH下的吸附特性（R2为0.71~0.96），通过CCM模型拟合得到As（Ⅴ）在土壤表面的3个表面络合常数，绝大部分土壤lg K1比lg K2和lg K3的值要大，说明As（Ⅴ）在土壤中的吸附相较于单齿络合物更偏向于形成双齿双核的络合物。As （Ⅴ）表面络合常数与土壤性质间的回归分析结果表明，As （Ⅴ）表面络合常数主要受土壤pH和无定形铁、无定形锰含量的影响。为了进一步验证上述线性模型的普适性，利用文献数据中土壤性质数据预测不同土壤上As（Ⅴ）的表面络合常数，并结合CCM模型预测了As（Ⅴ）在文献土壤中的吸附量，预测值和实测值具有很好的相关性，说明该模型具有一定的普适性。 |
| 英文摘要: |
| Adsorption is one of the important processes to control the migration of As in soil. In this study, the constant capacitance surface complexation model （CCM）was used to simulate the adsorption behavior of As（Ⅴ）in soil, and the surface complexation constant of As（Ⅴ） was obtained based on the CCM model. A linear regression model was established for the basic physical and chemical properties of soil（pH, organic matter, calcium carbonate, amorphous iron/aluminum/manganese, and total iron）and the surface complexation constant of As （Ⅴ）to elucidate the main controlling factors of adsorption of As in soil. The results revealed that As （Ⅴ）exhibited different adsorption characteristics in different types of soil at varying pH levels, and the constant capacitance model could simulate the adsorption edge of As（Ⅴ）at different pH values（R2 ranged from 0.71 to 0.96）. Three surface complexation constants of As（Ⅴ）on the soil surface were obtained by fitting the CCM model. The values of lg K1 in most soils were larger than those of lg K2 and lg K3, indicating that the adsorption of As（Ⅴ）in soil was more inclined to form bidentate rather than monodentate complexes. The regression analysis of As（Ⅴ）surface complexation constants and soil properties demonstrated that the As（Ⅴ） surface complexation constants were mainly affected by soil pH and the contents of amorphous Fe and amorphous Mn. To further verify the universality of the above linear model, the surface complexation constants of As（Ⅴ）on different soils was predicted from the soil property data in the literature, and the adsorption capacity of As（Ⅴ）in the literature soil was also predicted using the CCM model. The predicted and measured values in the literature exhibited a good correlation（R2 = 0.71）, indicating that the model had a certain universality. In this study, based on the adsorption behavior of As（Ⅴ）in soils with different properties, the generalized complex method was used to establish a CCM model to describe the adsorption and distribution process of As （Ⅴ）in non-calcareous soils, providing theoretical support for regional soil heavy metal environmental risk prediction. |
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