Extraction Behaviors of Heavy Rare Earths with Organophosphoric Extractants: The Contribution of Extractant Dimer Dissociation, Acid Ionization, and Complexation. A Quantum Chemistry Study.

作者: Yu Jing , Ji Chen , Li Chen , Wenrou Su , Yu Liu

DOI: 10.1021/ACS.JPCA.7B01444

关键词:

摘要: Heavy rare earths (HREs), namely Ho3+, Er3+, Tm3+, Yb3+ and Lu3+, are rarer more exceptional than light earths, due to the stronger extraction capacity for 100 000 extractions. Therefore, their incomplete stripping high acidity of become problems HRE separation by organophosphoric extractants. However, theories extractant structure–performance relationship molecular design method novel extractants still not perfect. Beyond coordination chemistry HRE-extracted complex, dimer dissociation, acid ionization, complexation behaviors can be crucial reactivity ionic species understanding further improving performance. To address above issues, three primary fundamental processes, including complexation, were identified investigated systematically. The intrinsic performances cations with four acidic organophos...

参考文章(43)
Donald M. Camaioni, Christine A. Schwerdtfeger, Comment on "Accurate experimental values for the free energies of hydration of H+, OH-, and H3O+". Journal of Physical Chemistry A. ,vol. 109, pp. 10795- 10797 ,(2005) , 10.1021/JP054088K
Xiaoyan Cao, Jun Zhang, Daniel Weissmann, Michael Dolg, Xuebo Chen, Accurate quantum chemical modelling of the separation of Eu3+ from Am3+/Cm3+ by liquid–liquid extraction with Cyanex272 Physical Chemistry Chemical Physics. ,vol. 17, pp. 20605- 20616 ,(2015) , 10.1039/C5CP03100A
Colin G. Pitt, Hyperconjugation and its role in group IV chemistry Journal of Organometallic Chemistry. ,vol. 61, pp. 49- 70 ,(1973) , 10.1016/S0022-328X(00)86535-3
Feng Xie, Ting An Zhang, David Dreisinger, Fiona Doyle, A critical review on solvent extraction of rare earths from aqueous solutions Minerals Engineering. ,vol. 56, pp. 10- 28 ,(2014) , 10.1016/J.MINENG.2013.10.021
Florian Weigend, Reinhart Ahlrichs, Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy Physical Chemistry Chemical Physics. ,vol. 7, pp. 3297- 3305 ,(2005) , 10.1039/B508541A
Dongbei Wu, Ying Xiong, Deqian Li, Shulan Meng, Interfacial behavior of Cyanex 302 and kinetics of lanthanum extraction. Journal of Colloid and Interface Science. ,vol. 290, pp. 235- 240 ,(2005) , 10.1016/J.JCIS.2005.04.003
F. Berny, N. Muzet, L. Troxler, A. Dedieu, G. Wipff, Interaction of M(3+) Lanthanide Cations with Amide, Pyridine, and Phosphoryl O=PPh(3) Ligands: A Quantum Mechanics Study. Inorganic Chemistry. ,vol. 38, pp. 1244- 1252 ,(1999) , 10.1021/IC980788A
Michael D. Tissandier, Kenneth A. Cowen, Wan Yong Feng, Ellen Gundlach, Michael H. Cohen, Alan D. Earhart, James V. Coe, Thomas R. Tuttle, The Proton's Absolute Aqueous Enthalpy and Gibbs Free Energy of Solvation from Cluster-Ion Solvation Data Journal of Physical Chemistry A. ,vol. 102, pp. 7787- 7794 ,(1998) , 10.1021/JP982638R
M. del C. Fernández-Fernández, R. Bastida, A. Macías, P. Pérez-Lourido, C. Platas-Iglesias, L. Valencia, Lanthanide(III) complexes with a tetrapyridine pendant-armed macrocyclic ligand: 1H NMR structural determination in solution, X-ray diffraction, and density-functional theory calculations. Inorganic Chemistry. ,vol. 45, pp. 4484- 4496 ,(2006) , 10.1021/IC0603508