Chem-UNIFAC model application for intermolecular compounds identification in solvent extraction systems organic phase

被引：0
|
作者：
Rozen, A.M. [1 ]
Yurkin, V.G. [1 ]
Konovalov, Yu.V. [1 ]
Shapovalov, M.P. [1 ]
Krupkov, B.V. [1 ]
机构：
[1] VNII Neorganicheskikh Materialov im., A.A. Bochvara, Moscow, Russia
来源：
Doklady Akademii nauk SSSR | 1994年 / 338卷 / 04期
关键词：
Calculations - Extraction - Mathematical models - Solutions - Solvent extraction - Solvents;
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摘要：
The group model UNIFAC is widely used for the prediction of phase equilibrium state of nonelectrolytes. It has been established that the correctness of data description by UNIFAC model depended on intermolecular interactions intensity. This limitation of the method is eliminated in the version proposed using the description of weak interactions in the frame of Prigogone model of nonideal associated solution. The new model Chem-UNIFAC makes it possible to describe 16 extraction systems of high-polar compounds (tributylphosphate, di-2-ethylhexylphosphoric acid and their uranyl complexes). The validity of model calculations is proposed using IR spectroscopy data, calorimetry and viscosity measurements, as well as quantum-chemical calculations.
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页码：492 / 496
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