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基于萃取平衡计算的计算机模拟是研究稀土分离工艺的重要手段,在实践中获得了成功应用。在实际稀土萃取分离过程中,除三价稀土离子外还存在着不同价态的其他离子,如Na+,Ca2+,Mg2+,Eu2+,Fe3+,Al3+,Ce4+,Th4+等。研究不同价态离子共存条件下的萃取平衡计算方法,对于研究实际萃取分离体系中非稀土元素及变价稀土元素的行为具有重要意义。本文从酸性萃取剂体系中n价阳离子的萃取平衡关系出发,推导出萃取平衡计算的多元方程组,并将其简化为一元方程后给出了抛物线逼近的数值求解方法。通过对数据实例的计算表明,算法收敛快速稳定,适用于含不同价态多组份体系的萃取平衡计算。
Computer simulation based on extraction balance calculation is an important method to study rare earth separation process and has been successfully applied in practice. In addition to the trivalent rare earth ions, other ions with different valences, such as Na +, Ca2 +, Mg2 +, Eu2 +, Fe3 +, Al3 +, Ce4 +, Th4 + etc., are present in the actual rare earth extraction and separation process. It is of great significance to study the extraction balance calculation under the condition of coexistence of different valence ions for studying the behavior of non-rare earth elements and the price of rare earth elements in the actual extraction separation system. In this paper, based on the extraction equilibrium of n-valent cations in acid extractant system, a multivariate equation of extraction equilibrium is deduced and the numerical solution of parabolic approximation is given after it is reduced to a univariate equation. The numerical example shows that the algorithm converges rapidly and stably and is suitable for the extraction equilibrium calculation of multi-component systems with different valences.