Gamma Radiation-Induced Degradation of Acetohydroxamic Acid (AHA) in Aqueous Nitrate and Nitric Acid Solutions Evaluated by Multiscale Modelling.
Gamma radiolysis
acetohydroxamic acid
electron pulse radiolysis
multiscale computer modelling
radical-induced kinetics
Journal
Chemphyschem : a European journal of chemical physics and physical chemistry
ISSN: 1439-7641
Titre abrégé: Chemphyschem
Pays: Germany
ID NLM: 100954211
Informations de publication
Date de publication:
01 Mar 2023
01 Mar 2023
Historique:
revised:
11
11
2022
received:
10
10
2022
pubmed:
6
12
2022
medline:
6
12
2022
entrez:
5
12
2022
Statut:
ppublish
Résumé
Acetohydroxamic acid (AHA) has been proposed for inclusion in advanced, single-cycle, used nuclear fuel reprocessing solvent systems for the reduction and complexation of plutonium and neptunium ions. For this application, a detailed description of the fundamental degradation of AHA in dilute aqueous nitric acid is required. To this end, we present a comprehensive, multiscale computer model for the coupled radiolytic and hydrolytic degradation of AHA in aqueous sodium nitrate and nitric acid solutions. Rate coefficients for the reactions of AHA and hydroxylamine (HA) with the oxidizing nitrate radical were measured for the first time using electron pulse radiolysis and used as inputs for the kinetic model. The computer model results are validated by comparison to experimental data from steady-state gamma ray irradiations, for which the agreement is excellent. The presented model accurately predicts the yields of the major degradation products of AHA: acetic acid, HA, nitrous oxide, and molecular hydrogen.
Identifiants
pubmed: 36470592
doi: 10.1002/cphc.202200749
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
e202200749Subventions
Organisme : U.S. Department of Energy (DOE) Assistant Secretary for Nuclear Energy
ID : DE-AC07-05ID14517
Organisme : US-DOE Office of Basic Energy Sciences
Organisme : Division of Chemical Sciences, Geosciences, and Biosciences
ID : DE-SC0012704
Organisme : The University of Manchester's Dalton Cumbrian Facility (DCF)
Organisme : National Nuclear User Facility
Organisme : Engineerind and Physical Sciences Research Council (EPSRC) UK National Ion Beam Centre
Organisme : Henry Royce Institute
Organisme : Advanced Fuel Cycle Programme
Organisme : UK Department for Business, Energy and Industrial Strategy's (BEIS) Energy Innovation Programme
Informations de copyright
© 2022 Wiley-VCH GmbH.
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