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Thermodynamic modeling of neodymium and cerium oxalates reactive precipitation in concentrated nitric acid media
Chemical Engineering Science ( IF 4.7 ) Pub Date : 2018-06-01 , DOI: 10.1016/j.ces.2018.03.007
Isaac Rodríguez-Ruiz , Sébastien Teychené , Youen Vitry , Béatrice Biscans , Sophie Charton

Rare earth oxalates precipitation is extendedly used in hydrometallurgical processes related to rare earth recycling methods and treatment of radioactive liquid wastes, where rare earth elements are separated from other fission products. For a deeper comprehension of this reactive precipitation process, the thermodynamic modeling of the oxalate-rare earth systems in nitric acid aqueous media is presented for neodymium and cerium systems, due to their distinctive relevance among the rare earth elements. A Pitzer model was selected for the modeling, which was developed using the implementation present within PHREEQC software. Calculations were launched through a COM interface with Matlab® and PHREEQC database was complemented by adjustment of the individual Pitzer coefficients for each species interaction to experimental data reported in literature and own experimental water activity measurements required to complete the study. The implemented model is able to accurately predict oxalate-rare earth solubility in a wide range of rare earth and nitric acid concentrations up to >10 m.

中文翻译:

钕和草酸铈在浓硝酸介质中反应沉淀的热力学模型

稀土草酸盐沉淀广泛用于与稀土回收方法和放射性液体废物处理相关的湿法冶金过程,其中稀土元素与其他裂变产物分离。为了更深入地理解这种反应性沉淀过程,由于钕和铈系统在稀土元素之间具有独特的相关性,因此提供了硝酸水性介质中草酸 - 稀土系统的热力学模型。为建模选择了 Pitzer 模型,该模型是使用 PHREEQC 软件中的实现开发的。计算是通过带有 Matlab® 的 COM 接口启动的,PHREEQC 数据库通过将每个物种相互作用的个体 Pitzer 系数调整到文献中报告的实验数据和完成研究所需的自己的实验水分活度测量来补充。实施的模型能够准确预测草酸盐 - 稀土在各种稀土和硝酸浓度高达 > 10 m 的溶解度。
更新日期:2018-06-01
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