Plutonium(IV) quantification in acidic process solutions using partial least-squares regression applied to UV–Vis spectrophotometry

Bailly, Guillaume; Maloubier, Didier; Legay, Guillaume

doi:10.1007/s10967-022-08205-4

Cited by 4 publications

(3 citation statements)

References 27 publications

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“…Specifically, the use of ultraviolet–visible (UV–vis) absorbance and Raman spectroscopy is discussed for the characterization of uranium behavior within chloride-based melts. UV–vis and Raman are well-known techniques for characterizing actinides and lanthanides in a wide range of chemical systems. ,− Furthermore, the integration of these techniques into the harsh molten salt environment has been well demonstrated on the small scale. ,− However, this work aims to explore the poorly understood realm of U behavior under complex conditions. Particularly, in chloride-based salts without active redox control, the dynamic speciation and redox behavior of U is unknown.…”

Section: Introductionmentioning

confidence: 99%

Exploring the Complex Chemistry of Uranium within Molten Chloride Salts

Branch,

Felmy,

Schafer Medina

et al. 2023

Ind. Eng. Chem. Res.

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Harsh environments represent a unique opportunity to explore new frontiers in chemistry while developing novel tools to meet global needs. Exploring the chemistry of uranium within molten salts is a key example. Actinide chemistry within the highly ionic environment of a molten salt is poorly understood, particularly in the presence of common salt impurities or without active oxidation state control. Delving into this chemistry can provide new insight into actinide and f-electron interactions. Furthermore, expanding our chemical knowledge can also enable advances in the deployment of molten salt reactors or molten salt recycle schemes. Both molten salt applications aim toward providing green and reliable energy as well as critical materials for the world. Here, the utilization of visible absorbance and Raman spectroscopies to understand and quantify U within chloride-based salt eutectics is discussed. Furthermore, machine learning techniques in the form of chemometric modeling are developed and described, providing advanced analytical tools to quantify and characterize the U present. These tools are then leveraged to monitor and explore the dynamic fundamental chemistry of U within chloride-based salt melts without active oxidation state control.

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Section: Introductionmentioning

confidence: 99%

Exploring the Complex Chemistry of Uranium within Molten Chloride Salts

Branch,

Felmy,

Schafer Medina

et al. 2023

Ind. Eng. Chem. Res.

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“…Bailly et al 15 used partial least squares regression (PLSR) algorithm to determine plutonium(IV) in acid process solution. To increase the solution concentration prediction accuracy in the visible band, both of them applied the PLS algorithm.…”

Section: Introductionmentioning

confidence: 99%

Segmented modelling and analysis of disperse dye concentration based on multidimensional spectrum

Zhang

Huang

Zheng

et al. 2023

Coloration Technology

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Since the water‐ insoluble dispersing dye has both absorption and scattering characteristics, a spatial resolution hyperspectral measurement approach and experimental testing was proposed in this paper, which can collect spectral and spatial data from samples simultaneously. The concentration of 81 groups of three‐component disperse dye samples were measured. However, the hyperspectral data of dye solutions in the 420‐800 nm band is saturated, resulting in the inability for multispectral data processing. A segmented concentration quantitative analysis model was developed. For the unsaturated band (420‐510 nm), the PLS, NPLS, and SVM models using the data points on X axis of Two‐dimensional light intensity distribution map were established. The predicted performance of PLS model was worse slightly than that of the other two models, The R2 values of concentrations for red, orange and blue disperse dye were 0.888, 0.796 and 0.959, respectively. For saturated band (520–670 nm), the NPLS and SVM models using the data points on X and Y axis were established. Results shows that the prediction accuracy of concentrations of the three‐component disperse dye was increased by adding additional data points on Y axis, with R2 values of 0.944, 0.807, and 0.912, respectively. For the strong scattering band (680–800 nm), a SVM model were established, and R2 of concentration of the three dyes reached 0.974, 0.933 and 0.995, respectively. The results showed that multi‐dimensional spectroscopy method can improve the prediction accuracy of component concentration of disperse dye solution, by using more spectral information from X and Y directions.This article is protected by copyright. All rights reserved.

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“…An analysis of the crystalline material by UV–vis–NIR spectroscopy was performed in both the solution and solid state, where both spectra contained bands that are consistent with those typically observed for f – f transitions in 5 f 5 Pu 3+ species ( Figure 1 ; Figures S2 and S3 ); notably, the spectra lacked features attributable to simple ions of Pu 4+ . 19 − 22 [PuCl 2 (dme) 3 ][GaCl 4 ] displayed poor solubility in DME once crystallized, and only approximate concentrations for solution UV–vis–NIR were obtained.…”

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confidence: 99%

Chlorination of Pu and U Metal Using GaCl₃

et al. 2023

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The oxidative chlorination of the plutonium metal was achieved through a reaction with gallium(III) chloride (GaCl 3 ). In DME (DME = 1,2-dimethoxyethane) as the solvent, substoichiometric (2.8 equiv) amounts of GaCl 3 were added, which consumed roughly 60% of the plutonium metal over the course of 10 days. The salt species [PuCl 2 (dme) 3 ][GaCl 4 ] was isolated as pale-purple crystals, and both solid-state and solution UV−vis−NIR spectroscopies were consistent with the formation of a trivalent plutonium complex. The analogous reaction was performed with uranium metal, generating a dicationic trivalent uranium complex crystallized as the [UCl(dme) 3 ][GaCl 4 ] 2 salt. The extraction of [UCl(dme) 3 ][GaCl 4 ] 2 in DME at 70 °C followed by crystallization produced [{U(dme) 3 } 2 (μ-Cl 3 )]-[GaCl 4 ] 3 , a product arising from the loss of GaCl 3 . This method of halogenation worked on a small scale for plutonium and uranium, providing a route to cationic Pu 3+ and dicationic U 3+ complexes using GaCl 3 in DME.

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Plutonium(IV) quantification in acidic process solutions using partial least-squares regression applied to UV–Vis spectrophotometry

Cited by 4 publications

References 27 publications

Exploring the Complex Chemistry of Uranium within Molten Chloride Salts

Exploring the Complex Chemistry of Uranium within Molten Chloride Salts

Segmented modelling and analysis of disperse dye concentration based on multidimensional spectrum

Chlorination of Pu and U Metal Using GaCl₃

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Plutonium(IV) quantification in acidic process solutions using partial least-squares regression applied to UV–Vis spectrophotometry

Cited by 4 publications

References 27 publications

Exploring the Complex Chemistry of Uranium within Molten Chloride Salts

Exploring the Complex Chemistry of Uranium within Molten Chloride Salts

Segmented modelling and analysis of disperse dye concentration based on multidimensional spectrum

Chlorination of Pu and U Metal Using GaCl3

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Chlorination of Pu and U Metal Using GaCl₃