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Modeling Selenate Adsorption Behavior on Oxides, Clay Minerals, and Soils Using the Triple Layer Model

机译:使用三层模型模拟硒酸盐在氧化物,粘土矿物和土壤上的吸附行为

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Selenate adsorption behavior was investigated on amorphous aluminum oxide; amorphous iron oxide; clay minerals kaolinites, montmorillonites, and illite; and 18 soil samples from Hawaii and the Southwestern and Midwestern regions of the United States as a function of solution pH. Selenate adsorption decreased with increasing solution pH. The triple layer model, a chemical surface complexation model, was able to describe Se (VI) adsorption as a function of solution pH by simultaneously optimizing either two outer-sphere Se(VI) surface complexation constants or one inner-sphere and one outer-sphere Se(VI) surface complexation constant. The fit of the triple layer model to Se(VI) adsorption by oxides, clay minerals, and soils was excellent, as evidenced by very low values of the model variance goodness-of-fit criterion. The predominantly outer-sphere Se(VI) surface speciation predicted using the triple layer model was in agreement with the weak adsorption behavior previously observed for Se(VI) using electrophoretic mobility measurements and ionic strength dependence of adsorption. Direct spectroscopic investigations of Se(VI) surface configurations are needed to corroborate the species predicted by the triple layer modeling approach.
机译:研究了硒酸盐在非晶态氧化铝上的吸附行为。无定形氧化铁;粘土矿物高岭石,蒙脱石和伊利石;和18个来自夏威夷以及美国西南和中西部地区的土壤样品,它们与溶液pH值有关。硒酸盐的吸附随着溶液pH值的增加而降低。三层模型是一种化学表面络合模型,通过同时优化两个外球面Se(VI)表面络合常数或一个内球面和一个外球面,可以描述Se(VI)吸附与溶液pH的关系。 Se(VI)球表面络合常数。三层模型对氧化物,粘土矿物和土壤对Se(VI)的吸附的拟合度极好,这由模型方差拟合优度标准的极低值证明。使用三层模型预测的主要外层Se(VI)表面形态与先前使用电泳迁移率测量和吸附的离子强度相关性观察到的Se(VI)的弱吸附行为是一致的。需要对Se(VI)表面构型进行直接光谱研究,以证实通过三层建模方法预测的物种。

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