399
Views
14
CrossRef citations to date
0
Altmetric
Original Articles

Insight into nitric acid extraction and aggregation of N, N, N’, N’-Tetraoctyl diglycolamide (TODGA) in organic solutions by molecular dynamics simulation

, , &
Pages 1361-1371 | Received 05 Apr 2016, Accepted 21 Feb 2018, Published online: 05 Mar 2018

References

  • Choppin, G.R.; Khankhasayev, M.K. (1999) Chemical Separation Technologies and Related Methods of Nuclear Waste Management, Springer: Netherlands.
  • Nash, K.L.;. (1993) A review of the basic chemistry and recent developments separations. Solvent Extraction and Ion Exchange, 11 (4): 729–768. doi:10.1080/07366299308918184
  • Tachimori, S.; Suzuki, S.; Sasaki, Y. (2001) A process of spent nuclear fuel treatment with the interim storage of TRU by use of amidic extractants. Journal Atomic Energy Social Japan/At Energy Social Japan, 43 (12): 1235–1241. doi:10.3327/jaesj.43.1235
  • Horwitz, E.P.; Kalina, D.C.; Diamond, H.; Vandegrift, G.F.; Schulz, W.W. (1985) The TRUEX process - A process for the extraction of the transuranic elements from nitric acid wastes utilizing modified PUREX solvent. Solvent Extraction and Ion Exchange, 3 (1–2): 75–109. doi:10.1080/07366298508918504
  • Madic, C.; Blanc, P.; Condamines, N.; Baron, P.; Berthon, L.; Nicol, C.;, et al. Actinide partitining from high level liquid waste using the DIAMEX process. In: The Fourth International Conference on Nuclear Fuel Reprocessing and Waste Management, RECOD’94. Proceedings. London, UK: CEA-CONF-12297; 1994.
  • Nash, K.L.; Madic, C.; Mathur, J.N. (2006) Actinide separation science and technology. In: Morss, L.R.; Edelstein, N.M.; Fuger, J.; Katz, J.J., editors. The Chemistry of the Actinide and Transactinide Elements. Springer: Netherlands. 2622–2798.
  • Madie, C.; Hudson, M.J. (1998) High-Level Liquid Waste Partitioning by Means of Completely Incinerable Extractants. EUR 18038, European Commission: Luxembourg.
  • Musikas, C.;. (1987) Solvent extraction for the chemical separations of the 5f elements. Inorganica Chimica Acta, 140: 197–206. doi:10.1016/S0020-1693(00)81087-7
  • Sasaki, Y.; Sugo, Y.; Suzuki, S.; Tachimori, S. (2001) The novel extractants, diglycolamides, for the extraction of lanthanides and actinides in HNO3–n-dodecane system. Solvent Extraction and Ion Exchange, 19 (1): 91–103. doi:10.1081/SEI-100001376
  • Zhu, Z.; Sasaki, Y.; Suzuki, H.; Suzuki, S.; Kimura, T. (2004) Cumulative study on solvent extraction of elements by N,N,N′,N′-tetraoctyl-3-oxapentanediamide (TODGA) from nitric acid into n-dodecane. Analytica Chimica Acta, 527 (2): 163–168. doi:10.1016/j.aca.2004.09.023
  • Stephan, H.; Gloe, K.; Beger, J.; Mühl, P. (1991) Liquid-liquid extraction of strontium with amido podands. Solvent Extraction and Ion Exchange, 9 (3): 435–458. doi:10.1080/07366299108918063
  • Stephan, H.; Gloe, K.; Beger, J.; Mühl, P. (1991) Liquid-liquid extraction of metal ions with amido podands. Solvent Extraction and Ion Exchange, 9 (3): 459–469. doi:10.1080/07366299108918064
  • Sasaki, Y.; Choppin, G.R. (1996) Solvent extraction of Eu, Th, U, Np and Am with N, N’-Dimethyl-N,N’-dihexyl-3-oxapentanediamide ans its analogous compounds. Analytical Sciences, 12 (2): 225–230. doi:10.2116/analsci.12.225
  • Sasaki, B.Y.; Choppin, G.R. (1998) Extraction of Np (V) by Af, Af â€TM -dimethyl-N, Af â€TM -dihexyl-3-oxapentanediamide. Radiochim Acta, 80: 85–88. doi:10.1524/ract.1998.80.2.85
  • Narita, H.; Yaita, T.; Tamura, K.; Tachimori, S. (1998) Solvent extraction of trivalent lanthanoid ions with N,N’-Dimethyl-N,N’-Diphenyl-3-Oxapentanediamide. Radiochim Acta, 81 (4): 223–226. doi:10.1524/ract.1998.81.4.223
  • Sasaki, Y.; Suzuki, H.; Sugo, Y.; Kimura, T.; Choppin, G.R. (2006) New water-soluble organic ligands for actinide cations complexation. Chemistry Letters, 35 (3): 256–257. doi:10.1246/cl.2006.256
  • Sasaki, Y.; Sugo, Y.; Suzuki, S.; Kimura, T. (2005) A method for the determination of extraction capacity and its application to N,N,N’,N’-tetraalkylderivatives of diglycolamide-monoamide-n-dodecane media. Analytica Chimica Acta, 543 (1–2): 31–37. doi:10.1016/j.aca.2005.04.061
  • Sasaki, Y.; Tachimori, S. (2002) Extraction of Actinides (III), (IV), (V), (VI), and Lanthanides (III) by structurally tailored diamides. Solvent Extraction and Ion Exchange, 20 (1(October2013)): 21–34. doi:10.1081/SEI-100108822
  • Modolo, G.; Vijgen, H.; Baron, P.; Dinh, B. (2003) Demonstration of the TODGA process for partitioning of actinides (III) from high level liquid waste. In: Proc. Intern. Conf. On P&T and ADS Development. SCK-CEN: Mol, Belgium: 6–8.
  • Modolo, G.; Vijgen, H.; Schreinemachers, C.; Baron, P.; Dinh, B. TODGA process development for partitioning of actinides (III) from PUREX raffinate. In: Proceedings of GLOBAL 2003 Conference. New Orleans, USA: 2003. 16–20.
  • Tachimori, S.; Suzuki, S.; Ami, N. (1993) Study of the third phase in U (IV)–HNO 3 and tri-n-butylphosphate–dodecane extraction system. In: Logsdail, D.H.; Slater, M.J., editors. Solvent Extraction in the Process Industries. London & New York: Proceeding of ISEC’93, York UK; Vol. 3, 1546–1553.
  • Osseo-Asare, K.;. (1991) Aggregation, reversed micelles, and microemulsions in liquid–liquid extraction- the tri-n-butylphosphate–diluent–water–electrolyte system. Advances in Colloid and Interface Science, 37: 123–173. doi:10.1016/0001-8686(91)80041-H
  • Jensen, M.P.; Chiarizia, R.; Urban, V. (2001) Investigation of the aggregation of the neodymium complexes of Dialkylphosphoric, -Oxothiophosphinic, and -Dithiophosphinic acids in Toluene. Solvent Extraction and Ion Exchange, 19 (5): 865–884. doi:10.1081/SEI-100107027
  • Chiarizia, R.; Urban, V.; Thiyagarajan, P.; Bond, A.H.; Dietz, M.L. (2000) Small angle neutron scattering investigation of the species formed in the extraction of Sr(II) by mixtures of di-n-octylphosphoric acid and dicyclohexano-18-crown-6. Solvent Extraction and Ion Exchange, 18 (3): 451–478. doi:10.1080/07366290008934692
  • Barrans, R.E.J.; McAlister, D.R.; Herlinger, A.W.; Chiarizia, R.; Ferraro, J.R. (1999) Hydrogen bonding in aggregates of dialkyl-substituted diphosphonic acids and monofunctional analogues. Solvent Extraction and Ion Exchange, 7 (5): 1195–1217. doi:10.1080/07366299908934643
  • Tachimori, S.; Sasaki, Y.; Suzuki, S. (2002) Modification of TODGA-n-dodecane solvent with a monoamide for high loading of lanthanides (III) and actinides (III). Solvent Extraction and Ion Exchange, 20 (6): 37–41. doi:10.1081/SEI-120016073
  • Erlinger, C.; Belloni, L.; Zemb, T.; Madic, C. (1999) Attractive interactions between reverse aggregates and phase separation in concentrated malonamide extractant solutions. Langmuir, 15 (7): 2290–2300. doi:10.1021/la980313w
  • Yaita, T.; Herlinger, A.W.; Thiyagarajan, P.; Jensen, M.P. (2004) Influence of extractant aggregation on the extraction of trivalent f-element cations by a Tetraalkyldiglycolamide. Solvent Extraction and Ion Exchange, 22 (4): 553–571. doi:10.1081/SEI-120039640
  • Shimada, A.; Yaita, T.; Narita, H.; Tachimori, S.; Okuno, K. (2004) Extraction studies of Lanthanide(III) Ions with N, N ′-Dimethyl-N, N ′-diphenylpyridine-2,6-dicarboxyamide (DMDPhPDA) from Nitric Acid Solutions. Solvent Extraction and Ion Exchange, 22 (2): 147–161. doi:10.1081/SEI-120030392
  • Sasaki, Y.; Rapold, P.; Arisaka, M.; Hirata, M.; Kimura, T.; Hill, C.;; et al. (2007) An additional insight into the correlation between the distribution ratios and the aqueous acidity of the TODGA system. Solvent Extraction and Ion Exchange, 25 (2): 187–204. doi:10.1080/07366290601169345
  • Nave, S.; Modolo, G.; Madic, C.; Testard, F. (2004) Aggregation Properties of N, N, N ′, N ′-Tetraoctyl-3-oxapentanediamide (TODGA) in n-Dodecane. Solvent Extraction and Ion Exchange, 22 (4): 527–551. doi:10.1081/SEI-120039721
  • Bell, K.; Geist, A.; McLachlan, F.; Modolo, G.; Taylor, R.; Wilden, A. (2012) Nitric Acid Extraction into TODGA. Procedia Chem [Internet], 7: 152–159. doi:10.1016/j.proche.2012.10.026
  • Allen, M.P.; Tildesley, D.J. (1989) Computer Simulation of Liquids; Clarendon Press: New York, NY.
  • Shamay, E.S.; Buch, V.; Parrinello, M.; Richmond, G.L. (2007) At the water’s edge: nitric acid as a weak acid. Journal of the American Chemical Society, 129 (43): 12910–12911. doi:10.1021/ja074811f
  • Siu, S.W.I.; Pluhackova, K.; Bockmann, R.A. (2012) Optimization of the OPLS-AA force field for long hydrocarbons. Journal of Chemical Theory and Computation, 8: 1459–1470. doi:10.1021/ct200908r
  • Baaden, M.; Burgard, M.; Wipff, G. (2001) TBP at the water−oil interface: the effect of tbp concentration and water acidity investigated by molecular dynamics simulations. Journal Physical Chemical B [Internet], 105: 11131–11141. doi:10.1021/jp011890n
  • Frisch, M.J.; Trucks, G.W.; Schlege, H.B.; Scuseria, G.E.; Robb, M.A.; Cheeseman, J.R.;, et al. (2009) Gaussian 09, Revision E.01. Gaussian, Inc.,: Wallingford, CT.
  • Jorgensen, W.L.; Madura, J.D.; Swenson, C.J. (1984) Optimized intermolecular potential functions for liquid hydrocarbons. Journal of the American Chemical Society, 106 (22): 6638–6646. doi:10.1021/ja00334a030
  • Martin, M.G.; Siepmann, J.I. (1998) Transferable potentials for phase equilibria. 1. United-atom description of n -Alkanes. The Journal of Physical Chemistry. B, 102 (97): 2569–2577.
  • Berendsen, H.D.C.; Postma, J.P.M.; Van Gunsteren, W.F.; Hermans, J. (1981) Interaction models for water in relation to protein hydration. Intermol Forces, (14): 331–342.
  • Darden, T.; York, D.; Pedersen, L. (1993) Particle mesh Ewald: an W log(N) method for Ewald sums in large systems. The Journal of Chemical Physics, 98 (12): 10089–10092. doi:10.1063/1.464397
  • Huang, C.; Li, C.; Choi, P.Y.K.; Nandakumar, K.; Kostiuk, L.W. (2010) Effect of cut-off distance used in molecular dynamics simulations on fluid properties. Molecular Simulation, 36 (11): 856–864. doi:10.1080/08927022.2010.489556
  • Essmann, U.; Perera, L.; Berkowitz, M.L.; Darden, T.; Lee, H.; Pedersen, L.G. (1995) A smooth particle mesh Ewald method. The Journal of Chemical Physics, 103 (November): 8577–8593. doi:10.1063/1.470117
  • Singh, M.B.; Dalvi, V.H.; Gaikar, V.G. (2015) Investigations of clustering of ions and diffusivity in concentrated aqueous solutions of lithium chloride by molecular dynamic simulations. RSC Advances, 5 (20): 15328–15337. doi:10.1039/C4RA15124K
  • Erlinger, C.; Gazeau, D.; Zemb, T.; Madic, C.; Lefrançois, L.; Hebrant, M.;; et al. (1998) Effect of nitric acid extraction on phase behavior, microstructure and interactions between primary aggregates in the system Dimethyldibutyltetradecylmalonamide (DMDBTDMA)/n-Dodecane/Water: A phase analysis and small angle X-ray scattering (SAXS) char. Solvent Extraction and Ion Exchange, 16 (3): 707–738. doi:10.1080/07366299808934549
  • Ganguly, R.; Sharma, J.N.; Choudhury, N. (2012) Phase separation in the TODGA reverse micellar solutions in dodecane: identifying an upper consolute temperature and an associated critical behavior. Soft Matter, 8 (6): 1795. doi:10.1039/C2SM06030B
  • Mowafy, E.A.; Aly, H.F. (2007) Synthesis of some N,N,N′,N′ Tetraalkyl-3-Oxa-Pentane-1,5-Diamide and their applications in solvent extraction. Solvent Extraction and Ion Exchange, 25 (2): 205–224. doi:10.1080/07366290601169352
  • Ansari, S.A.; Pathak, P.N.; Manchanda, V.K.; Husain, M.; Prasad, A.K.; Parmar, V.S. (2005) N,N,N′,N′ Tetraoctyl Diglycolamide (TODGA): a promising extractant for Actinide Partitioning from High Level Waste (HLW). Solvent Extraction and Ion Exchange, 23 (4): 463–479. doi:10.1081/SEI-200066296
  • Modolo, G.; Asp, H.; Schreinemachers, C.; Vijgen, H. (2007) Development of a TODGA based process for partitioning of actinides from a PUREX Raffinate Part I: batch extraction optimization studies and stability tests. Solvent Extraction and Ion Exchange, 25 (6): 703–721. doi:10.1080/07366290701634578
  • Vernekar, P.V.; Jagdale, Y.D.; Sharma, A.D.; Patwardhan AWA, V.; Patwardhan AWA, V.; Ansari, S.A.;; et al. (2014) Simultaneous extraction of Neodymium and Uranium using hollow fiber supported liquid membrane. Separation Science and Technology, 49 (10): 1509–1520. doi:10.1080/01496395.2014.890628
  • Ohtaki, H.;. (2003) Effects of temperature and pressure on hydrogen bonds in water and in formamide. Journal of Molecular Liquids, 103–104 (SPEC.): 3–13. doi:10.1016/S0167-7322(02)00124-1
  • Tang, X.C.; Pikal, M.J.; Taylor, L.S. (2002) The effect of temperature on hydrogen bonding in crystalline and amorphous phases in dihydropyrine calcium channel blockers. Pharmaceutical Research, 19 (4): 484–490. doi:10.1023/A:1015199713635

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.