Adsorption of Eu3+and Am3+ion towards hard donor-based diglycolamic acid-functionalised carbon nanotubes: density functional theory guided experimental verification
作者： AK Singha Deb , Sk M Ali , KT Shenoy , SK Ghosh , None
DOI: 10.1080/08927022.2014.977891
关键词:
摘要: Structure, bonding, energetic and thermodynamic parameters of trivalent Eu3+ Am3+ with diglycolamic acid-functionalised carbon nanotubes (CNT–DGA) in gas solvent phases are reported order to understand their complexation extraction behaviour. The calculation was performed generalised gradient approximated BP86 density functional hybrid B3LYP using SVP/TZVP basis set. free energy extraction, ΔGext, computed the Born–Haber cycle conjunction conductor-like screening model solvation approach. calculated found be exergonic an explicit cluster water for hydrating ions it higher ion over ion. From estimated distribution constant synthesised CNT–DGA, is indisputably established that preferentially extracted hence confirms acceptance ene...
sci-hub.se 参考文章(78)
G. Schaftenaar, J.H. Noordik, Molden: a pre- and post-processing program for molecular and electronic structures. Journal of Computer-aided Molecular Design. ,vol. 14, pp. 123- 134 ,(2000) , 10.1023/A:1008193805436
Sk. Musharaf Ali, Thermodynamical Criteria of the Higher Selectivity of Zirconium Oxycations over Hafnium Oxycations towards Organophosphorus Ligands: Density Functional Theoretical Investigation European Journal of Inorganic Chemistry. ,vol. 2014, pp. 1533- 1545 ,(2014) , 10.1002/EJIC.201301630
Kojiro Shimojo, Junji Noro, Yumi Sugo, Masahiro Goto, Hirochika Naganawa, Hisayoshi Mitamura, A new "green" extractant of the diglycol amic acid type for lanthanides Solvent Extraction Research and Development-japan. ,vol. 14, pp. 151- 159 ,(2007)
A Boda, JM Joshi, Sk M Ali, KT Shenoy, SK Ghosh, None, Density functional theoretical study on the preferential selectivity of macrocyclic dicyclohexano-18-crown-6 for Sr+2 ion over Th+4 ion during extraction from an aqueous phase to organic phases with different dielectric constants Journal of Molecular Modeling. ,vol. 19, pp. 5277- 5291 ,(2013) , 10.1007/S00894-013-2015-5
Shanshan Tong, Shujie Zhao, Weihong Zhou, Ruigang Li, Qiong Jia, Modification of multi-walled carbon nanotubes with tannic acid for the adsorption of La, Tb and Lu ions Mikrochimica Acta. ,vol. 174, pp. 257- 264 ,(2011) , 10.1007/S00604-011-0622-3
Christian Ekberg, Anna Fermvik, Teodora Retegan, Gunnar Skarnemark, M. R. S. Foreman, M. J. Hudson, Sofie Englund, Mikael Nilsson, An overview and historical look back at the solvent extraction using nitrogen donor ligands to extract and separate An(III) from Ln(III) Radiochimica Acta. ,vol. 96, pp. 225- 233 ,(2008) , 10.1524/RACT.2008.1483
Jan Ciupka, Xiaoyan Cao-Dolg, Jonas Wiebke, Michael Dolg, Computational study of lanthanide(III) hydration Physical Chemistry Chemical Physics. ,vol. 12, pp. 13215- 13223 ,(2010) , 10.1039/C0CP00639D
Kenneth L. Nash, A REVIEW OF THE BASIC CHEMISTRY AND RECENT DEVELOPMENTS IN TRIVALENT f-ELEMENTS SEPARATIONS Solvent Extraction and Ion Exchange. ,vol. 11, pp. 729- 768 ,(1993) , 10.1080/07366299308918184
Mingming Wang, Xingquan Tao, Xiaoping Song, Effect of pH, ionic strength and temperature on sorption characteristics of Th(IV) on oxidized multiwalled carbon nanotubes Journal of Radioanalytical and Nuclear Chemistry. ,vol. 288, pp. 859- 865 ,(2011) , 10.1007/S10967-011-1007-0
Kojiro SHIMOJO, Hirochika NAGANAWA, Junji NORO, Fukiko KUBOTA, Masahiro GOTO, Extraction behavior and separation of lanthanides with a diglycol amic acid derivative and a nitrogen-donor ligand. Analytical Sciences. ,vol. 23, pp. 1427- 1430 ,(2007) , 10.2116/ANALSCI.23.1427