Pure component thermodynamic models are developed for solvent extraction involving ionic reaction equilibrium for distribution of macro concentrations of zirconium and hafnium between an aqueous phase containing HNO₃ and an organic solvent phase containing diluted TBP. The concentration range considered is 10^-03 to 10⁰ M. A framework based on chemical speciation calculation is used for the purpose. Experimental procedures adopted to obtain the required solvent extraction data for modeling and validating these models are detailed. Measured equilibrium concentrations of total zirconium, total HNO₃, total nitrate in the aqueous phase and total zirconium in the organic phase are used to obtain the thermodynamic parameters such as equilibrium constants and activity coefficient model parameters for zirconium and hafnium extraction systems.

The novel framework is useful for computing equilibrium concentrations of all the species present in the respective systems. It is also demonstrated that the pure component models developed for extraction of zirconium and hafnium are effective over a wide range of concentrations. These pure component models can be used to simulate and optimize industrial scale zirconium – hafnium separation process.

开发了用于溶剂萃取的纯组分热力学模型，该模型涉及离子反应平衡，用于在含有HNO ₃的水相与含有稀释的TBP的有机溶剂相之间分配大量的锆和ha。考虑的浓度范围是10 ^-03到10 ⁰基于化学形态计算M.甲框架用于该目的。详细介绍了用于获取所需溶剂萃取数据以进行建模和验证的实验程序。总锆，总HNO _3的测得平衡浓度分别使用水相中的总硝酸盐和有机相中的总锆来获取锆和ha萃取系统的热力学参数，例如平衡常数和活度系数模型参数。

该新颖的框架可用于计算各个系统中存在的所有物质的平衡浓度。还证明了开发用于萃取锆和ha的纯组分模型在宽范围的浓度下均有效。这些纯组分模型可用于模拟和优化工业规模的锆–分离工艺。