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TOWARD AN ACCURATE MODEL OF METAL SORPTION IN SOILS

机译:建立土壤中金属吸附的精确模型

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Radionuclide transport in soils and groundwaters is routinely evaluated in performanceassessment (PA) using simplified conceptual models (e.g., KD method) to describe radionuclidesorption. However, the KD approach with linear and reversible sorption of metal cations is rarelyobserved in the field. Inaccuracies of this model are typically addressed by conservativeness inthe use of the chemical partitioning parameters, and often result in failed transport predictions orin increased costs for the cleanup of a site. Realistic assessments of radionuclide transport over awide range of environmental conditions can proceed only from accurate and mechanistic modelsof the metal sorption process.Our research has recently examined the sorption mechanisms and partition coefficients for Ba2+(analog for 226Ra2+) onto soil minerals (iron oxides and clay phases) using a combination ofisothermal sorption/desorption measurements, synchrotron spectroscopic analyses of metalsorbed substrates, and computer molecular modeling simulations. Research goals include 1)evaluation and quantification of the critical mechanisms and geochemical parameters that controlthe retardation of radionuclides on the sorbing phases in near-field soils, 2) use of atomisticcomputer simulations to predict radionuclide KD values based on the partitioning of the metalcations between the solution and mineral surface, and 3) identification of the general trends inmetal plume length associated with field sites. Results should improve our ability to estimateradionuclide migration at contaminated sites.
机译:使用简化的概念模型(例如KD方法)在性能评估(PA)中对放射性核素在土壤和地下水中的运输进行常规评估,以描述放射性核素的吸附。但是,在现场很少观察到具有线性和可逆吸附金属阳离子的KD方法。该模型的不准确性通常通过使用化学分配参数的保守性来解决,并且通常会导致运输预测失败或清理场地的成本增加。对放射性核素在各种环境条件下的迁移的现实评估只能从金属吸附过程的准确和机理模型出发进行。我们的研究最近研究了土壤矿物(氧化铁和粘土)上Ba2 +(226Ra2 +的类似物)的吸附机理和分配系数。相)结合使用等温吸附/解吸测量,金属吸附基质的同步加速器光谱分析和计算机分子建模模拟。研究目标包括:1)对控制近场土壤中吸附相中放射性核素延迟的关键机理和地球化学参数进行评估和量化; 2)使用原子计算机模拟,根据金属离子之间的金属阳离子分配预测放射性核素的KD值。溶液和矿物表面,以及3)识别与田间场所相关的金属羽流长度的一般趋势。结果应提高我们估计受污染地点放射性核素迁移的能力。

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