Theoretical prediction of selectivity in solvent extraction of La(III) and Ce(III) from aqueous solutions using β-diketones as extractants and kerosene and two imidazolium-based ionic liquids as diluents via quantum chemistry and COSMO-RS calculations

Olea, Felipe; Rosales, Gonzalo; Quintriqueo, Angelica; Romero, Julio; Pìzarro, Jaime; Ortiz, Claudia; Quijada‐Maldonado, E.

doi:10.1016/j.molliq.2020.114655

Cited by 10 publications

(11 citation statements)

References 67 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…This is because the major constituent of the extracting solution is the diluent [omim][Tf 2 N], which is a highly hydrophobic IL. Results in Table 3 are very important for a possible industrial application because the SX process requires a hydrophobic extracting phase for two main reasons: first, to ensure its recirculation in the SX plant; and second, to keep the nonpolar character of this extracting phase, allowing a good dissolution of the complex assuring high extraction percentages in every cycle 27 . It is worth noting that, concentrations from 3% to 10% v/v of [TOMA][BA] were used to promote the water co‐extraction and observe how hydrophobic the extracting phase remains.…”

Section: Resultsmentioning

confidence: 99%

Rhenium(VII) extraction from sulfuric aqueous solutions using ionic liquids as diluent and extractant: insights on the extraction stoichiometry and process parameters

Quijada‐Maldonado

Román

Merlet

et al. 2022

J of Chemical Tech & Biotech

Self Cite

View full text Add to dashboard Cite

BACKGROUND Rhenium(Re) is a highly valuable metal recovered from molybdenite leach liquors by solvent extraction (SX) using toxic organic solvents. This work proposes an extracting phase free of volatile organics composed by the ionic liquid (IL) trioctylmethylammonium benzoate [TOMA][BA] as the extractant, due to its ability to extract Re(VII), and the IL 1‐octyl‐3‐methylimidazolium bis(trifluoromethylsulfonyl)imide [omim][Tf2N] as the diluent, due to its high hydrophobicity where the extraction stoichiometry and process parameters such as the initial pH, the extractant concentration in the diluent and stripping using ammonium hydroxide (boldNH4boldOH) and sodium hydroxide (boldNaOH) were assessed. RESULTS This extracting phase yielded high extraction percentages: 95% with only 3% (v/v) of [TOMA][BA] in [omim][Tf2N]. A detailed study of the SX stoichiometry was carried out through slope analysis, showing that the SX occurs in two steps: first, the extraction of acid; then, the extraction of the metal ion via anion exchange with the transfer of IL‐diluent anion to the aqueous phase. Additionally, the extracting phase was tested in a synthetic molybdenite leached pregnant leach solution, showing selectivity towards Re(VII) over Cu(II) and Fe(III) at very low extractant concentration. The stripping of Re(VII) from the loaded phase was also studied achieving 60% stripping in only one equilibrium step when using boldNH4boldOH. CONCLUSION This novel extracting phase, free of volatile organic, shows promising Re(VII) extraction for future industrial applications. © 2021 Society of Chemical Industry (SCI).

show abstract

Section: Resultsmentioning

confidence: 99%

Rhenium(VII) extraction from sulfuric aqueous solutions using ionic liquids as diluent and extractant: insights on the extraction stoichiometry and process parameters

Quijada‐Maldonado

Román

Merlet

et al. 2022

J of Chemical Tech & Biotech

Self Cite

View full text Add to dashboard Cite

show abstract

“…According to our previous work [28], COSMO-RS is capable of calculating local equilibrium and the constants from the stoichiometry in the SX process. This allows for obtaining the theoretical selectivity between Li + and the other metals (Na + and Mg 2+ ) present in brines, considering an extracting phase composed of a synergistic agent and different hydrophobic ILs as extractants diluted in conventional organic solvents.…”

Section: Predictive Methods For Selectivity Calculationmentioning

confidence: 99%

“…However, studying each of these combinations would be time consuming and require high experimental costs. In this sense, a quick tool for exploring these combinations is COSMO-RS (Conductor-like Screening Model for Real Solvent) [24], which has succeeded in the prediction of metal extraction with conventional organics solvents [25][26][27] and also with ILs as diluents [28]. For instance, Zhao et al used COSMO-RS to predict the extraction of LiCl in different ILs [23].…”

Section: Introductionmentioning

confidence: 99%

“…In fact, ILs are known to participate in the extraction of metal [12,29,30], including the transfer of the IL ions from the organic phase to the aqueous phase. Therefore, to obtain good trends between experimental and theoretical results, the extraction stoichiometry and all the local thermodynamic equilibrium of the species involved in the complexation should be considered [28].…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Ionic Liquids for the Selective Solvent Extraction of Lithium from Aqueous Solutions: A Theoretical Selection Using COSMO-RS

et al. 2022

Self Cite

View full text Add to dashboard Cite

In this study, the theoretical design of ionic liquids (ILs) for predicting selective extraction of lithium from brines has been conducted using COSMO-RS. A theoretical model for the solvent extraction (SX) of the metal species present in brines was established considering extraction stoichiometry, the distribution of the extractants between aqueous and IL phases, and IL dissociation in the aqueous phase. Theoretical results were validated using experimental extraction percentages from previous works. Results indicate that, in general, the theoretical results for lithium extraction follow experimental trends, except from magnesium extraction. Finally, based on the model, an IL was proposed that was based on the phosphonium cation as the extractant, along with the phase modifier tributylphosphate (TBP) in an organic diluent in order to improve selectivity for lithium extraction over sodium. These results provide an insight for the application of ILs in lithium processing, avoiding the long purification times reported in the conventional process.

show abstract

“…Among them, solvent extraction is the most versatile commercial method for separating Ce (III) because it can handle many diluent pregnant liquors 11 , 12 . For this purpose, different solvents such as acidic organophosphorus extractants 13 , 14 , neutral organophosphorus extractants 15 , high molecular weight amines 16 , 17 , and others 18 , 19 have been used for the extraction of cerium from aqueous solutions.…”

Section: Introductionmentioning

confidence: 99%

Predictive capability evaluation and mechanism of Ce (III) extraction using solvent extraction with Cyanex 572

Allahkarami

Rezai

Karri

et al. 2022

Sci Rep

View full text Add to dashboard Cite

Owing to the high toxicity of cerium toward living organisms, it is necessary to remove cerium from aqueous solutions. In this regard, the extraction of cerium (Ce (III)) from nitrate media by Cyanex 572 under different operating conditions was examined in this study. The effect of contact time, pH, extractant concentration, and nitrate ion concentration were investigated to characterize the extraction behavior of cerium and based on these outcomes, an extraction mechanism was suggested. The analysis of infrared spectra of Cyanex 572 before and after the extraction of cerium indicated that cerium extraction was performed via a cation-exchange mechanism. Then, the predictive models based on intelligent techniques [artificial neural network (ANN) and hybrid neural-genetic algorithm (GA-ANN)] were developed to predict the cerium extraction efficiency. The GA-ANN model provided better predictions that resulted higher R2 and lower MSE compared to ANN model for predicting the extraction efficiency of cerium by Cyanex 572. The interactive effects of each process variable on cerium extraction were also investigated systematically. pH was the most influential parameter on cerium extraction, followed by extractant concentration, nitrate ion concentration and contact time. Finally, the separation of cerium from other rare earth elements like La (III), Nd (III), Pr (III), and Y (III) was conducted and observed that the present system provides a better separation of cerium from rare heavy earth than light rare earths.

show abstract

Theoretical prediction of selectivity in solvent extraction of La(III) and Ce(III) from aqueous solutions using β-diketones as extractants and kerosene and two imidazolium-based ionic liquids as diluents via quantum chemistry and COSMO-RS calculations

Cited by 10 publications

References 67 publications

Rhenium(VII) extraction from sulfuric aqueous solutions using ionic liquids as diluent and extractant: insights on the extraction stoichiometry and process parameters

Rhenium(VII) extraction from sulfuric aqueous solutions using ionic liquids as diluent and extractant: insights on the extraction stoichiometry and process parameters

Ionic Liquids for the Selective Solvent Extraction of Lithium from Aqueous Solutions: A Theoretical Selection Using COSMO-RS

Predictive capability evaluation and mechanism of Ce (III) extraction using solvent extraction with Cyanex 572

Contact Info

Product

Resources

About