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Original Articles

Modeling of Liquid-Liquid Extraction (LLE) Equilibria Using Gibbs Energy Minimization (GEM) for the System TBP–HNO3–UO2–H2O–Diluent

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Pages 634-651 | Published online: 05 Sep 2013

REFERENCES

  • Rozen , A.M. and Khorkhorina , L.P. 1957 . K termodinamike ekstraktsii tributilfosfatom . Zhurnal Neorganicheskoi Khimii , 2 ( 8 ) : 1956 – 1969 .
  • Rozen , A.M. , Gindin , L.M. and Kopp , N.F. 1960 . The thermodynamics of extraction equilibria of strong electrolytes dissociated in the organic phase: Extraction of hydrochloric acid, cobalt, chloride and calcium chloride with isoamyl alcohol . Doklady Akademii Nauk SSSR , 131 ( 4 ) : 883 – 886 .
  • Rozen , A.M. , Khorkhorina , L.P. , Iurkin , V.G. and Novikova , N.M. 1963 . Interaction of tributyl phosphate and Tributyl phosphate solvate with diluents . Doklady Akademii Nauk SSSR , 153 ( 6 ) : 1387
  • Davis , W. 1962 . Thermodynamics of extraction of nitric acid by tri-n-butyl phosphate-hydrocarbon diluent solutions.1. Distribution studies with TBP in Amsco 125-82 at intermediate and low acidities . Nucl. Sci. Eng , 14 ( 2 ) : 159 – 168 .
  • Rozen , A.M. and Zelvenskii , M.Y. 1976 . Mathematical simulation of processes in extractive reprocessing of nuclear-fuel .5. Separation of uranium and plutonium by method of re-extraction with a weak acid . Soviet Atomic Energy , 41 ( 2 ) : 708 – 710 .
  • Petković , D.M. , Ruvarac , A.L. , Konstant , Jm. and Trujic , V.K. 1973 . Thermodynamics of extraction equilibria .2. Extraction of uranyl nitrate and chloride with trioctylphosphine oxide. J. Chemi. Soc.-Dalton Trans , : 1649 – 1653 .
  • Kopečni , M.M. and Petković , D.M. 1994 . A chemical-model of the solvent-extraction system - Water-uranyl nitrate nitric-acid tri-n-butyl phosphate diluent. J. Chem . Soc-Dalton Trans , : 2209 – 2212 .
  • Čomor , J.J. , Kopečni , M.M. and Petković , D.M. 1997 . A chemical model of the solvent extraction system: water-uranyl nitrate-nitric acid-tri-n-butyl phosphate-diluent . Solvent Extr. Ion Exch , 15 ( 6 ) : 991 – 1006 .
  • Chaiko , D.J. and Vandegrift , G.F. 1988 . A thermodynamic model of nitric-acid extraction by tri-normal-butyl phosphate . Nucl. Technol , 82 ( 1 ) : 52 – 59 .
  • Renard , E.V. , Chizhov , A.A. and Vlasov , V.S. 1995 . The Purex thermodynamics of plutonium (IV) and Uranium (VI) macroconcentrations coextraction into tri-n butylphosphate: New data and new models . J. Nucl. Mater , 223 ( 1 ) : 90 – 93 .
  • Čomor , J.J. , Tolić , A.Š. , Kopečni , M.M. and Petković , D.M. 1999 . Modeling of the simultaneous extraction of nitric acid and uranyl nitrate with tri-n-butyl phosphate. application to extraction operation. Sep. Sci. Technol. , 34 ( 1 ) : 115 – 122 .
  • Choppin , G.R. and Morgenstern , A. 2000 . Thermodynamics of solvent extraction . Solvent Extr. Ion Exch , 18 ( 6 ) : 1029 – 1049 .
  • Rydberg , J. , Cox , M. , Musikas , C. and Choppin , G.R. 2004 . Solvent Extraction Principles and Practice , New York : Marcel Dekker . Eds.2nd Ed.; (Revised and Expanded
  • Liddell , K. 2005 . Thermodynamic models for liquid-liquid extraction of electrolytes . Hydrometallurgy , 76 ( 3–4 ) : 181 – 192 .
  • Baes , C.F. and Moyer , B.A. 2000 . Detailed SXLSQI modeling of the extraction of U(VI) from aqueous nitrate solutions by di(2-ethylhexyl)sulfoxide (DEHSO) in dodecane . Abs. Papers Am. Chem. Soc. , 219 U758–U758
  • Rozen , A.M. , Andrutskii , L.G. and Vlasov , V.S. 1987 . Improved mathematical-models of actinide extraction by 30-percent solutions of the tri-normal-butylphosphate in diluents . Soviet Atom. Energy , 62 ( 4 ) : 264 – 271 .
  • Baes , C.F. 2001 . Modeling solvent extraction systems with SXFIT . Solvent Extr. Ion Exch , 19 ( 2 ) : 193 – 213 .
  • Delmau , L.H. , Baes , C.F. , Bostick , D.A. , Haverlock , T.J. and Moyer , B.A. 2003 . Solvent extraction system modeling using the program SXFIT. Hydrometall. Proceed , : 969 – 981 .
  • Moyer , B.A. , Baes , C.F. , Case , F.I. and Driver , J.L. 2001 . Liquid-liquid equilibrium analysis in perspective. II. Complete model of water, nitric acid, and uranyl nitrate extraction by di-2-ethylhexyl sulfoxide in dodecane . Solvent Extr. Ion Exch. , 19 ( 5 ) : 757 – 790 .
  • Mitchell , A.D. 1981 . Use of the Sephis-Mod4 Program for modeling the purex and thorex solvent-extraction processes . Sep. Sci. Technol , 16 ( 10 ) : 1299 – 1319 .
  • Moffat , H.K. and Jove Colon , C.F. 2009 . Implementation of Equilibrium Aqueous Speciation and Solubility (EQ3 type) Calculations into Cantera for Electrolyte Solutions - SAND2009-3115; Sandia National Laboratories, Albuquerque, NM ,
  • Marcus , Y. 1961 . Extraction of tracer quantities of uranium(VI) from nitric acid by tri-n-butyl phosphate . J. Phys. Chem , 65 ( 9 ) : 1647 – 1648 .
  • Marcus , Y. 1963 . Solvent extraction of inorganic species . Chem. Rev , 63 ( 2 ) : 139 170.
  • Marcus , Y. 1975 . Some thermodynamic data concerning dioxouranium(VI) ion and its compounds and reactions . J. Inorg. Nucl. Chem , 37 ( 2 ) : 493 – 501 .
  • Marcus , Y. and Kolarik , Z. 1973 . Thermodynamics of liquid-liquid distribution reactions .1. dioxouranium(VI) nitrate-water-tri-n-butyl phosphate-n-dodecane system. J. Chem. Eng. Data , 18 ( 2 ) : 155 – 163 .
  • Wright , A. and Paviet-Hartmann , P. 2010 . Review of physical and chemical properties of tributyl phosphate/diluent/nitric acid systems . Sep. Sci. Technol. , 45 ( 12–13 ) : 1753 – 1762 .
  • Kolarik , Z. 1982 . Critical-evaluation of some equilibrium-constants involving acidic organo-phosphorus extractants.Pure Appl. Chem , 54 ( 12 ) : 2593 – 2674 .
  • Schulz , W.W. , Navratil , G. and Talbot , A.E. 1984 . Science and Technology of Tributyl Phosphate , Vol. 1 , 335 CRC Press : Boca Raton, FL . Eds.Vol.p
  • Hlushak , S.P. , Simonin , J.P. , Caniffi , B. , Moisy , P. , Sorel , C. and Bernard , O. 2011 . Description of partition equilibria for uranyl nitrate, nitric acid and water extracted by tributyl phosphate in dodecane . Hydrometallurgy , 109 : 97 – 105 .
  • Smith , W.R. and Missen , R.W. 1982 . Chemical Reaction Equilibrium Analysis: Theory and Algorithms , 364 New York : Wiley . p
  • Eriksson , G. and Hack , K. 1990 . Chemsage: A computer-program for the calculation of complex Chemical-equilibria . Metall. Trans. B-Process Metall , 21 ( 6 ) : 1013 – 1023 .
  • Weber , C.F. 1998 . Convergence of the equilibrium code SOLGASMIX . J. Comput. Phys , 145 ( 2 ) : 655 – 670 .
  • Teng , T. , Zhang , L.P. and Li , Y.G. 1982 . An investigation of the thermodynamics of solvent-extraction of metals .1. calculation of the activity-coefficients of non-electrolytes in the Uo2cl2-Tbp system. Hydrometallurgy , 8 ( 3 ) : 261 – 272 .
  • Kolker , A.R. 1991 . Thermodynamic modeling of concentrated aqueous-electrolyte and nonaqueous systems . Fluid Phase Equilib , 69 : 155 – 169 .
  • Bochove , van , Krooshof , G.H. and de Loos , G.J.P. 2000 . Modelling of liquid-liquid equilibria of mixed solvent electrolyte systems using the extended electrolyte NRTL . Fluid Phase Equilib , 171 ( 1–2 ) : 45 – 58 . T.W.
  • Prausnitz , J.M. , Lichtenthaler , R. N. and Gomes de Azevedo , E. 1998 . Molecular Thermodynamics of Fluid-Phase Equilibria , 3rd Ed.; Prentice Hall : New Jersey .
  • Karpov , I.K. , Chudnenko , K.V. and Kulik , D.A. 1997 . Modeling chemical mass transfer in geochemical processes: Thermodynamic relations, conditions of equilibria, and numerical algorithms . Am. J. Sci , 297 ( 8 ) : 767 – 806 .
  • Kulik , D.A. , Sinitsyn , V.A. and Karpov , I.K. 1998 . Prediction of solid-aqueous equilibria in cementitious systems using Gibbs energy minimization: II . Dual thermodynamic approach to estimation of the non-ideality and end-member parameters. Sci. Basis Nucl. Waste Manag. XXI.; , 506 : 983 – 990 .
  • Wolery , T.J. and Jarek , R.L. EQ3/6, Version 8.0: Software User's Manual, 2003; Sandia National Laboratories , Albuquerque, NM .
  • Pitzer , K.S. 1991 . Ion Interaction Approach: Theory and Data Correlation, in Activity Coefficients in Electrolyte Solutions , CRC Press : Boca Raton, FL .
  • Mariner , P.E. In-Drift Precipitates/Salts Model, 2007, Sandia National Laboratories, OCRWM Lead Laboratory for Repository Systems: Albuquerque , 235 – 338 . pp
  • Shock , E.L. , Helgeson , H.C. and Sverjensky , D.A. 1989 . Calculation of the thermodynamic and transport-properties of aqueous species at high-pressures and temperatures: Standard partial molal properties of inorganic neutral species . Geochim. Cosmochim. Acta , 53 ( 9 ) : 2157 – 2183 .
  • Garrels , R.M. and Christ , C.L. 1965 . “ Harper's Geoscience Series ” . In Solutions, Minerals, and Equilibria; , Vol. 13 , New York : Harper & Row . Vol.
  • Marion , G.M. 2002 . A molal-based model for strong acid chemistry at low temperatures (< 200 to 298 K) . Geochim. Cosmochim. Acta , 66 ( 14 ) : 2499 – 2516 .
  • Kim , H.T. and Frederick, Jr , W.J. 1988 . Evalution of Pitzer ion interaction parameters of aqueous electrolytes at 25°C. 1. Single salt parameters . J. Chem. Eng. Data , 33 : 177 – 184 .
  • Shock , E.L. , Sassani , D.C. and Betz , H. 1997 . Uranium in geologic fluids: Estimates of standard partial molal properties, oxidation potentials, and hydrolysis constants at high temperatures and pressures . Geochim. Cosmochim. Acta , 61 ( 20 ) : 4245 – 4266 .
  • Wagner , W. and Pruβ , A. 1995 . A. The IAPWS formulation 1995 for the thermodynamic properties of ordinary water substance for general and scientific use. J. Phys . Chem. Ref. Data , 31 : 387 – 442 .
  • Hamer , W.J. and Wu , Y.-C. 1972 . Osmotic coefficients and mean activity coefficients of uni-univalent electrolytes in water at 25°C . J. Phys. Chem. Ref. Data , 1 ( 4 ) : 1047 – 1099 .
  • Tang , I.N. , Munkelwitz , H.R. and Lee , J.H. 1988 . Vapor liquid equilibrium measurements for dilute nitric-acid solutions . Atmosph. Environ , 22 ( 11 ) : 2579 – 2585 .
  • Davis , W. and De Bruin , H.J. 1964 . New activity coefficients of 0-100 percent aqueous nitric acid . J. Inorg. Nucl. Chem , 26 ( 6 ) : 1069 – 1083 .
  • Baes , C.F. and Moyer , B.A. 1988 . Estimating activity and osmotic coefficients in UO2(NO3)2-HNO3-NaNO3 mixtures . Solvent Extrac. Ion Exch , 6 ( 4 ) : 675 – 697 .
  • Goldberg , R.N. 1979 . Evaluated activity and osmotic coefficients for aqueous solutions: Bi-univalent compounds of lead, copper, manganese, and uranium . J. Phys. Chem. Ref. Data , 8 ( 4 ) : 1005 – 1050 .
  • Apelblat , A. and Korin , E. 1998 . Vapour pressures of saturated aqueous solutions of ammonium iodide, potassium iodide, potassium nitrate, strontium chloride, lithium sulphate, sodium thiosulphate, magnesium nitrate, and uranyl nitrate from T = 278 to 323 K . J. Chem. Thermodynam , 30 : 459 – 471 .
  • Robinson , R.A. , Wilson , J.M. and Ayling , H.S. 1942 . The activity coefficients of some bivalent metal nitrates in aqueous solution at 25°C from isopiestic vapor pressure measurements . J. Am. Chem. Soc , 64 ( 6 ) : 1469 – 1471 .
  • Robinson , R.A. and Lim , C.K. 1951 . The osmotic and activity coefficients of uranyl nitrate, chloride, and perchlorate at 25°C . J. Chem. Soc , 7 : 1840 – 1843 .
  • Yu , Y.X. , Zhang , Q.Y. and Gao , G.H. 2000 . Thermodynamics of the system HNO3-UO2 (NO3)2-H2O at 298.15 K. J. Radioanal. Nucl. Chem , 245 ( 3 ) : 581 – 587 .
  • Clegg , S.L. and Pitzer , K.S. 1992 . Thermodynamics of multicomponent, miscible, ionic-solutions: Generalized equations for symmetrical electrolytes . J. Physic. Chem , 96 ( 8 ) : 3513 – 3520 .
  • Naganawa , H. and Tachimori , S. 1994 . Highly hydrated associate of tributyl-phosphate in dodecane . Anal. Sci , 10 ( 4 ) : 607 – 613 .
  • Naganawa , H. and Tachimori , S. 1997 . Complex formation between tributyl phosphate and nitric acid and the hydration of the complexes in dodecane . Bull. Chem. Soc. Japan , 70 ( 4 ) : 809 – 819 .
  • Davis , W. , Mrochek , J. and Judkins , R.R. 1970 . Thermodynamics of the two-phase system: Water-uranyl nitrate-tributyl phosphate-amsco 125-82 . J. Inorg. Nucl. Chem , 32 ( 5 ) : 1689 – 1702 .
  • Roddy , J.W. 1978 . Interactions in tri-n-butyl phosphate water diluent system . J. Inorg. Nucl. Chem , 40 ( 10 ) : 1787 – 1791 .
  • Roddy , J.W. and Mrochek , J. 1966 . Activities and interactions in tri-n-butyl phosphate-water system . J. Inorg. Nucl. Chem , 28 ( 12 ) : 3019 – 3026 .
  • Gladilov , D.Y. , Nekhaevskii , S.Y. and Ochkin , A.V. 2006 . A thermodynamic description of the distribution of water in H2O-tributyl phosphate and H2O-tributyl phosphate-solvent systems . Russian J. Physic. Chem , 80 ( 12 ) : 1934 – 1939 .
  • Goral , M. , Shaw , D.G. , Maczynski , A. and Wisniewska-Goclowska , B. 2010 . IUPAC-NIST solubility data series. 88. Esters with water-revised and updated. Part 4. C(10) to C(32) esters . J. Phys. Chem. Ref. Data , 39 ( 3 ) 1–38.
  • Hildebrand , J.H. and Scott , R.L. The Solubility of Nonelectrolytes , 3rd , New York : Dover Publications; 1964 . Ed
  • Healy , T.V. 1961 . Synergism in the solvent extraction of di-valent, tri valent and tetravalent metal ions: Synergic effects in so-called inert diluents . J. Inorg. Nucl. Chem , 19 ( 3–4 ) : 328 – 339 .
  • Starostin , A.D. , Nikolaev , A.V. and Afanasev , Y.A. 1966, 15 . Standard heats of formation of certain oganophosphorus compounds. Izves. Akad. Nauk SSSR, Ser. Khim , : 1255 – 1258 .
  • Glasser , L. and Jenkins , H.D.B. 2004 . Standard absolute entropies, S° (298): From volume or density - Part II . Organic liquids and solids. Thermochim. Acta , 414 ( 2 ) : 125 – 130 .
  • Wolery , T.J. and Jové-Colón , C.F.Qualification . 2007 . of thermodynamic data for geochemical modeling of mineral–water interactions in dilute systems , Sandia National Laboratories : Albuquerque, NM .
  • Adams , B.M. , Dalbey , K.R. , Eldred , M.S. , Swiler , L.P. , Bohnhoff , W.J. , Eddy , J.P. , Vigil , D.M. , Hough , P. D. and Lefantzi , S. 2012 . DAKOTA: A multilevel parallel object-oriented framework for design optimization, parameter estimation, uncertainty quantification, and sensitivity analysis: Version 5.2+ User's Manual , Sandia National Laboratories : Albuquerque, NM . SAND2010-2183
  • Chase , M.W. 1998 . NIST-JANAF Thermochemical tables , 9 J. Physi.Chem. Ref. Data, Monograph No
  • Screttas , C.G. and Heropoulos , G. A. 1993 . Transferability additivity of molar volumes of organic liquids and their relation to normal boiling points . J. Org. Chem , 58 ( 14 ) : 3654 – 3659 .
  • Partington , J.R. 1949 . An Advanced Treatise on Physical Chemistry; , Vol. II , London : Longmans . Vol.
  • Bullock , E. and Tuck , D.G. 1963 . Interaction of tri-n-butyl phosphate with water . Trans. Faraday Society , 59 ( 486 ) : 1293 – 1298 .
  • Schatzberg , P. 1963 . Solubilities of water in several normal alkanes from C7 to C16 . J. Phys. Chem , 67 ( 4 ) : 776 – 779 .
  • Shaw , D.G. , Maczynski , A. , Goral , M. , Wisniewska-Goclowska , B. , Skrzecz , A. , Owczarek , I. , Blazej , K. , Haulait-Pirson , M.C. , Hefter , G.T. , Kapuku , F. , Maczynska , Z. and Szafranski , A. 2006 . IUPAC-NIST solubility data series. 81. Hydrocarbons with water and seawater-revised and updated. Part 10. C-11 and C-12 hydrocarbons with water . J. Phys. Chem. Ref. Data. , 35 ( 1 ) : 153 – 203 .
  • Blaylock , C.R. and Tedder , D.W. 1989 . Competitive equilibria in the system: Water, nitric-acid, tri-normal-butyl phosphate, and AMSCO-125-82 . Solvent Extrac. Ion Exch , 7 ( 2 ) : 249 – 271 .
  • Hardy , C.J. , Fairhurst , D. , Willson , A.M. and Mckay , H.A.C. 1964 . Extraction of water by tri-n-butyl phosphate . Trans. Faraday Soc , 60 ( 5019 ) : 1626 – 1636 .
  • Davis , W. 1962 . Thermodynamics of extraction of nitric acid by tri-n-butyl phosphate-hydrocarbon diluent solutions. 2. Densities, molar volumes, and water solubilities of TBP-Amsco 125-82-HNO3-H2O solutions . Sci.Eng , 14 ( 2 ) : 169 – 173 . Nucl
  • Clegg , S.L. and Wexler , A.S. 2011 . Densities and apparent molar volumes of atmospherically important electrolyte solutions. 1. The solutes H2SO4, HNO3, HCl, Na2SO4, NaNO3, NaCl, (NH4)2SO4, NH4NO3, and NH4Cl from 0 to 50°C, including extrapolations to very low temperature and to the pure liquid state, and NaHSO4, NaOH, and NH3 at 25°C . J. Phys. Chem.A , 115 ( 15 ) : 3393 – 3460 .
  • Shock , E.L. , Sassani , D.C. , Willis , M. and Sverjensky , D.A. 1997 . Inorganic species in geologic fluids: Correlations among standard molal thermodynamic properties of aqueous ions and hydroxide complexes . Geochim. Cosmochim. Acta , 61 ( 5 ) : 907 – 950 .
  • Manzurola , E. and Apelblat , A. 1985 . Apparent molar volumes of uranyl-nitrate, uranyl chloride, and uranyl sulfate in water at 298.15 K. J. Chem . Thermo , 17 ( 6 ) : 575 – 578 .
  • Hovey , J.K. , Nguyentrung , C. and Tremaine , P.R. 1989 . Thermodynamics of aqueous uranyl ion: Apparent and partial molar heat-capacities and volumes of aqueous uranyl perchlorate from 10°C to 55°C . Geochim.Cosmochim. Acta , 53 ( 7 ) : 1503 – 1509 .
  • Haynes , W.M. 2012 . CRC Handbook of Chemistry and Physics , 92nd , CRC Press : Boca Raton, FL . Ed.Ed (Internet Version)

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