Molecular design of highly efficient extractants for separation of lanthanides and actinides by computational chemistry

Kazuya Uezu, Jun Ichiro Yamagawa, Masahiro Goto

Research output: Contribution to journalArticlepeer-review

3 Citations (Scopus)

Abstract

Novel organophosphorus extrctants, which have two functional moieties in the molecular structure, were developed for the recycle system of transuranium elements using liquid-liquid extraction. The synthesized extratants showed extremely high extractability to lanthanides elements compared to those of commercially available extractants. The results of extraction equilibrium suggested that the structural effect of extratants is one of the key factors to enhance the selectivity and extractability in lanthanides extractions. Furthermore, molecular modeling was carried out to evaluate the extraction properties for extraction of lanthanides by the synthesized extratants. Molecular modeling was shown to be very useful for designing new extratants. The new concept to connect some functional moieties with a spacer is very useful and is a promising method to develop novel extratants for treatment of nuclear fuel.

Original languageEnglish
Pages (from-to)1-5
Number of pages5
JournalKagaku Kogaku Ronbunshu
Volume32
Issue number1
DOIs
Publication statusPublished - Mar 13 2006

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Chemical Engineering(all)

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