Startseite Exploring the solvation of water molecules around radioactive elements in nuclear waste water treatment
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Exploring the solvation of water molecules around radioactive elements in nuclear waste water treatment

  • Cheriyan Ebenezer und Rajadurai Vijay Solomon EMAIL logo
Veröffentlicht/Copyright: 1. März 2023
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Physical Sciences Reviews
Aus der Zeitschrift Physical Sciences Reviews Band 9 Heft 3

Abstract

Nuclear waste water contains many actinides which coordinate with water molecules to form complexes. The hydration of water molecules with varying coordination numbers and modes makes it interesting and intriguing in understanding the extraction process of these radioactive ions. In order to separate these complexes from the nuclear waste water, many organic ligands are being used. However, prior knowledge on the nature of electronic environment of these hydration patterns will help us to understand the extraction mechanism. Therefore, a series of complexes such as [Np(H2O)9]4+, [Cm(H2O)9]3+, [Am(H2O)9]3+, [Pu(H2O)9]4+, [Pu(H2O)9]3+, [U(H2O)9]3+, [NpO2(H2O)5]+, [UO2(H2O)5]2+ and [PuO2(H2O)5]2+ have been calculated by means of relativistic DFT. Bond length analysis and energy decomposition analysis are executed with the intention to comprehend the bonding situation of these complexes. To account for the stabilizing interactions amid the radioactive ion and the water molecules, a detailed QTAIM investigation is done. It is seen that the metals having higher oxidation state readily complex with water molecules. Energy decomposition analysis throws light on the significant orbital interactions in the [M(H2O)9] n complexes, whereas in the metal oxide complexes significant contribution is resulted from electrostatic interactions. In summary, this investigation brings out the nuances of coordination modes of solvation in nuclear waste water which will help us to explore and design novel extraction techniques in near future.

Keywords: nuclear waste water; QTAIM; radioactive recovery; relativistic DFT; solvation
Corresponding author: Rajadurai Vijay Solomon, Department of Chemistry, Madras Christian College (Autonomous) [Affiliated to the University of Madras], Chennai, Tamil Nadu, 600 059, India, E-mail:

Acknowledgment

RVS is thankful to the Department of Science and Technology – Science and Engineering Research Board (DST-SERB) for the Early Career Research grant (Ref. No. ECR/2017/001147), and CE is grateful to DST-SERB for financial assistance from RVS’s ECR project.

  1. Author contributions: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.

  2. Research funding: None declared.

  3. Conflict of interest statement: The authors declare no conflicts of interest regarding this article.

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Supplementary Material

This article contains supplementary material (https://doi.org/10.1515/PSR-2022-0262).

Received: 2022-10-08
Accepted: 2023-02-08
Published Online: 2023-03-01

© 2023 Walter de Gruyter GmbH, Berlin/Boston

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https://doi.org/10.1515/psr-2022-0262
Schlagwörter für diesen Artikel
nuclear waste water; QTAIM; radioactive recovery; relativistic DFT; solvation

Artikel in diesem Heft

  1. Frontmatter
  2. Reviews
  3. Modern analytical approach in biopolymer characterization
  4. Development of nanocellulose fiber reinforced starch biopolymer composites: a review
  5. Recent developments in sago starch thermoplastic bio-composites
  6. Mechanical degradation of sugar palm crystalline nanocellulose reinforced thermoplastic sugar palm starch (TPS)/poly (lactic acid) (PLA) blend bionanocomposites in aqueous environments
  7. Computational design of the novel building blocks for the metal-organic frameworks based on the organic ligand protected Cu4 cluster
  8. Highly functional nanocellulose-reinforced thermoplastic starch-based nanocomposites
  9. Spectral peak areas do not vary according to spectral averaging scheme used in functional MRS experiments at 3 T with interleaved visual stimulation
  10. Triterpenoids of antibacterial extracts from the leaves of Bersama abyssinica Fresen (Francoaceae)
  11. Immediate effects of atrazine application on soil organic carbon and selected macronutrients and amelioration by sawdust biochar pretreatment
  12. Process configuration of combined ozonolysis and anaerobic digestion for wastewater treatment
  13. Concentration levels and risk assessment of organochlorine and organophosphate pesticide residue in selected cereals and legumes sold in Anambra State, south-eastern Nigeria
  14. XRD and cytotoxicity assay of submitted nanomaterial industrial samples in the Philippines
  15. Comparative study of the photocatalytic degradation of tetracycline under visible light irradiation using Bi24O31Br11-anchored carbonaceous and silicates catalyst support
  16. Xanthoangelol, geranilated chalcone compound, isolation from pudau leaves (Artocarpus kemando Miq.) as antibacterial and anticancer
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  18. Integration of chemo- and bio-catalysis to intensify bioprocesses
  19. Fabrication of starch-based packaging materials
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