Liquid-liquid equilibrium analysis in perspective. II. Complete model of water, nitric acid, and uranyl nitrate extraction by di-2-ethylhexyl sulfoxide in dodecane

B. A. Moyer; Jr Baes; F. I. Case; J. L. Driver

doi:10.1081/SEI-100107024

Liquid-liquid equilibrium analysis in perspective. II. Complete model of water, nitric acid, and uranyl nitrate extraction by di-2-ethylhexyl sulfoxide in dodecane

B. A. Moyer, Jr Baes, F. I. Case, J. L. Driver

Chemical Separations Group

Research output: Contribution to journal › Article › peer-review

18 Scopus citations

Abstract

New and previously reported data on the extraction of water (W), HNO₃ (HX), and UO₂(NO₃)₂ (MX₂) from aqueous mixtures by DEHSO (B) in dodecane are combined to develop a comprehensive model of U(VI) extraction from nitric acid by DEHSO. The computer program SXFIT used for this modeling estimates solute activity coefficients and solvent activities in the aqueous phase by the Pitzer treatment and in the nonaqueous phase by the Hildebrand-Scott treatment. Included is a critical evaluation of the Pitzer parameters needed and an estimate of the smaller effect of the solubility parameters assigned to the nonaqueous solutes. The resulting model indicates that: (1) The small amount of water extracted by dodecane alone is monomolecular (W). (2) The additional water extracted by B requires three hydrated species (BW, B₂W, and an aggregate assigned as B₂W₅). (3) The extraction of HX by B requires four species (BHX, B(HX)₂W₅, and two species of B₂HX, probably B₂HX, and B₂HXW₂). (4) Finally, the extraction of MX₂ yields two additional species (principally MB₂X₂ and a hydrate of MB₃X₂). To account adequately for all the data, no less than 11 nonaqueous solute species are required as well as the adjustment of two Pitzer parameters, rather than an artifact of over interpretation.

Original language	English
Pages (from-to)	757-790
Number of pages	34
Journal	Solvent Extraction and Ion Exchange
Volume	19
Issue number	5
DOIs	https://doi.org/10.1081/SEI-100107024
State	Published - 2001

Funding

The authors wish to thank Dr. Richard W. Carter for assistance with the ion chromatography measurements. We are indebted to the late W. J. McDowell for his initial interest in DEHSO and to the late G. N. Case for collecting much of the nitric acid and U(VI) extraction data. This research was sponsored by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy, under contract DE-AC05-00OR22725 with Oak Ridge National Laboratory, managed and operated by UT-Battelle, LLC.

Funders	Funder number
U.S. Department of Energy	DE-AC05-00OR22725
Basic Energy Sciences
Oak Ridge National Laboratory
Chemical Sciences, Geosciences, and Biosciences Division

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title = "Liquid-liquid equilibrium analysis in perspective. II. Complete model of water, nitric acid, and uranyl nitrate extraction by di-2-ethylhexyl sulfoxide in dodecane",

abstract = "New and previously reported data on the extraction of water (W), HNO3 (HX), and UO2(NO3)2 (MX2) from aqueous mixtures by DEHSO (B) in dodecane are combined to develop a comprehensive model of U(VI) extraction from nitric acid by DEHSO. The computer program SXFIT used for this modeling estimates solute activity coefficients and solvent activities in the aqueous phase by the Pitzer treatment and in the nonaqueous phase by the Hildebrand-Scott treatment. Included is a critical evaluation of the Pitzer parameters needed and an estimate of the smaller effect of the solubility parameters assigned to the nonaqueous solutes. The resulting model indicates that: (1) The small amount of water extracted by dodecane alone is monomolecular (W). (2) The additional water extracted by B requires three hydrated species (BW, B2W, and an aggregate assigned as B2W5). (3) The extraction of HX by B requires four species (BHX, B(HX)2W5, and two species of B2HX, probably B2HX, and B2HXW2). (4) Finally, the extraction of MX2 yields two additional species (principally MB2X2 and a hydrate of MB3X2). To account adequately for all the data, no less than 11 nonaqueous solute species are required as well as the adjustment of two Pitzer parameters, rather than an artifact of over interpretation.",

author = "Moyer, {B. A.} and Jr Baes and Case, {F. I.} and Driver, {J. L.}",

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AU - Baes, Jr

AU - Case, F. I.

AU - Driver, J. L.

PY - 2001

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N2 - New and previously reported data on the extraction of water (W), HNO3 (HX), and UO2(NO3)2 (MX2) from aqueous mixtures by DEHSO (B) in dodecane are combined to develop a comprehensive model of U(VI) extraction from nitric acid by DEHSO. The computer program SXFIT used for this modeling estimates solute activity coefficients and solvent activities in the aqueous phase by the Pitzer treatment and in the nonaqueous phase by the Hildebrand-Scott treatment. Included is a critical evaluation of the Pitzer parameters needed and an estimate of the smaller effect of the solubility parameters assigned to the nonaqueous solutes. The resulting model indicates that: (1) The small amount of water extracted by dodecane alone is monomolecular (W). (2) The additional water extracted by B requires three hydrated species (BW, B2W, and an aggregate assigned as B2W5). (3) The extraction of HX by B requires four species (BHX, B(HX)2W5, and two species of B2HX, probably B2HX, and B2HXW2). (4) Finally, the extraction of MX2 yields two additional species (principally MB2X2 and a hydrate of MB3X2). To account adequately for all the data, no less than 11 nonaqueous solute species are required as well as the adjustment of two Pitzer parameters, rather than an artifact of over interpretation.

AB - New and previously reported data on the extraction of water (W), HNO3 (HX), and UO2(NO3)2 (MX2) from aqueous mixtures by DEHSO (B) in dodecane are combined to develop a comprehensive model of U(VI) extraction from nitric acid by DEHSO. The computer program SXFIT used for this modeling estimates solute activity coefficients and solvent activities in the aqueous phase by the Pitzer treatment and in the nonaqueous phase by the Hildebrand-Scott treatment. Included is a critical evaluation of the Pitzer parameters needed and an estimate of the smaller effect of the solubility parameters assigned to the nonaqueous solutes. The resulting model indicates that: (1) The small amount of water extracted by dodecane alone is monomolecular (W). (2) The additional water extracted by B requires three hydrated species (BW, B2W, and an aggregate assigned as B2W5). (3) The extraction of HX by B requires four species (BHX, B(HX)2W5, and two species of B2HX, probably B2HX, and B2HXW2). (4) Finally, the extraction of MX2 yields two additional species (principally MB2X2 and a hydrate of MB3X2). To account adequately for all the data, no less than 11 nonaqueous solute species are required as well as the adjustment of two Pitzer parameters, rather than an artifact of over interpretation.

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Liquid-liquid equilibrium analysis in perspective. II. Complete model of water, nitric acid, and uranyl nitrate extraction by di-2-ethylhexyl sulfoxide in dodecane

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