Mathematical Modeling of the Extraction Isotherms of La(NO3)3 with a Mixture of 0.3 M Methyltri-n-octylammonium Nitrate and 0.7 M Tri-n-butyl Phosphate in Toluene

IF 0.7 4区化学 Q4 CHEMISTRY, PHYSICAL

Russian Journal of Physical Chemistry A Pub Date : 2026-10-05 DOI:10.1134/S0036024426701827

S. I. Stepanov, K. A. Slavinsky, Nguyen Thi Yen Hoa, E. V. Boiarintseva

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引用次数: 0

Abstract

Mathematical modeling of the extraction isotherm of La(NO₃)₃ with a mixture of 0.3 M methyltri-n-octylammonium nitrate (MTOAN) and 0.7 M tri-n-butyl phosphate (TBP) in toluene was carried out using the EXTREQ‑2 software package. An adequate description with a minimum relative error of 1.88% is achieved for the stoichiometric model including the formation of two mixed complexes (R₄N)₄[La(NO₃)₇⋅14TBP] and (R₄N)₃[La(NO₃)₆⋅6TBP] and two complexes with each of the extractants (R₄N)₃[La(NO₃)₆ and [La(NO₃)₃⋅TBP]. For models including the formation of nonstoichiometric mixed complexes, an adequate description with a relative error of 3.21% is achieved using the model with a mixed complex [La(NO₃)₃⋅7R₄NNO₃⋅7TBP] and nonstoichiometric complexes of [La(NO₃)₃⋅6.77R₄NNO₃] and [La(NO₃)₃⋅4.3TBP]. The thermodynamic extraction constants were calculated for all the established model complexes, the analytical equations of the extraction isotherm are presented, and the diagrams of distribution of each complex in the organic phase are given as a function of the equilibrium concentration of La(NO₃)₃ in the aqueous phase.

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0.3 M硝酸三辛基甲基铵和0.7 M磷酸三正丁酯在甲苯中萃取La(NO3)3等温线的数学建模

利用EXTREQ‑2软件包对0.3 M甲基三正辛硝酸铵（MTOAN）和0.7 M磷酸三正丁酯（TBP）在甲苯中的萃取等温线进行了数学建模。该化学计量模型包括两种混合配合物（R4N）4[La(NO3)7·14TBP]和（R4N）3[La(NO3)6·6TBP]的形成，以及两种萃取剂（R4N）3[La(NO3)6和[La(NO3)3·TBP]的形成，得到了充分的描述，相对误差最小为1.88%。对于包含非化学计量混合配合物形成的模型，采用混合配合物[La(NO3)3⋅7R4NNO3⋅7TBP]和非化学计量配合物[La(NO3)3⋅6.77R4NNO3]和[La(NO3)3⋅4.3TBP]的模型，获得了充分的描述，相对误差为3.21%。计算了所有模型配合物的萃取热力学常数，给出了萃取等温线的解析方程，并给出了各配合物在有机相中随La(NO3)3在水相中平衡浓度的分布图。

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来源期刊

Russian Journal of Physical Chemistry A 化学-物理化学

CiteScore

1.20

自引率

14.30%

发文量

376

审稿时长

5.1 months

期刊介绍： Russian Journal of Physical Chemistry A. Focus on Chemistry (Zhurnal Fizicheskoi Khimii), founded in 1930, offers a comprehensive review of theoretical and experimental research from the Russian Academy of Sciences, leading research and academic centers from Russia and from all over the world. Articles are devoted to chemical thermodynamics and thermochemistry, biophysical chemistry, photochemistry and magnetochemistry, materials structure, quantum chemistry, physical chemistry of nanomaterials and solutions, surface phenomena and adsorption, and methods and techniques of physicochemical studies.