Speciation analysis the complexation of uranyl nitrate with tri-n-butyl phosphate in supercritical CO₂.

ABSTRACT: The complexation of solid uranyl nitrate with tri-n-butyl phosphate (TBP) in supercritical CO₂ is quite different from that of a liquid-liquid extraction system because fewer water molecules are involved. Here, the complexation mechanism was investigated by molecular dynamics simulation, emphasising on speciation distribution analysis. In the anhydrous uranyl nitrate system, poly-core uranyl-TBP species [UO₂(NO₃)₂]₂·3TBP and [UO₂(NO₃)₂]₃·3TBP were formed in addition to the predominant [UO₂(NO₃)₂]·1TBP and [UO₂(NO₃)₂]·2TBP species. The poly-core species was mainly constructed via the linkage of U[double bond, lengt

SUBMITTER: Zhu L 

PROVIDER: S-EPMC9043467 | biostudies-literature | 2021 Nov

REPOSITORIES: biostudies-literature