Multiscale modeling of solvent extraction and the choice of reference state: Mesoscopic modeling as a bridge between nanoscale and chemical engineering

M Špadina, K Bohinc - Current opinion in colloid & interface science, 2020 - Elsevier
This article highlights current paradigms and challenges in modeling of lanthanides and
actinides solvent extraction by lipophilic extractants. Within the multiscale approach …

Molecular forces in liquid–liquid extraction

M Špadina, JF Dufrêche, S Pellet-Rostaing… - Langmuir, 2021 - ACS Publications
The phase transfer of ions is driven by gradients of chemical potentials rather than
concentrations alone (ie, by both the molecular forces and entropy). Extraction is a …

Metastable precipitation and ion–extractant transport in liquid–liquid separations of trivalent elements

P Sun, XM Lin, MK Bera, B Lin, D Ying, T Chang… - Proceedings of the …, 2024 - pnas.org
The extractant-assisted transport of metal ions from aqueous to organic environments by
liquid–liquid extraction has been widely used to separate and recover critical elements on …

Synergistic solvent extraction is driven by entropy

M Špadina, K Bohinc, T Zemb, JF Dufrêche - ACS nano, 2019 - ACS Publications
In solvent extraction, the self-assembly of amphiphilic molecules into an organized structure
is the phenomenon responsible for the transfer of the metal ion from the aqueous phase to …

Characterization of the ALSEP process at equilibrium: Speciation and stoichiometry of the extracted complex

GA Picayo, BD Etz, S Vyas, MP Jensen - ACS omega, 2020 - ACS Publications
We have determined the identity of the complexes extracted into the ALSEP process solvent
from solutions of nitric acid. The ALSEP process is a new solvent extraction separation …

[HTML][HTML] Uncovering the inverse relationship between Am/Eu separation capability and softness of N-heterocyclic carboxylate ligands

PW Huang, CZ Wang, Z Su, DX Jiang, JL Wang… - Supramolecular …, 2025 - Elsevier
In the advanced spent fuel wet reprocessing process, mutual separation of trivalent actinide
ions (An 3+) and lanthanide ions (Ln 3+) is extremely challenging. The development of back …

Colloidal model for the prediction of the extraction of rare earths assisted by the acidic extractant

M Špadina, K Bohinc, T Zemb, JF Dufrêche - Langmuir, 2019 - ACS Publications
We propose the statistical thermodynamic model for the prediction of the liquid–liquid
extraction efficiency in the case of rare-earth metal cations using the common bis (2-ethyl …

Magnetic nanoadsorbent functionalized with aminophosphonic acid for NdIII ion extraction from aqueous media

L Molina-Calderón, C Basualto-Flores… - Journal of Molecular …, 2023 - Elsevier
The adsorption performance of a new magnetic nanoadsorbent of Nd 3+ was investigated.
First, the nanoadsorbent was synthesized by chemical coprecipitation, and covered with a …

Development of a Purification Method for 89Sr Produced in a Fast Reactor Using a Supported Liquid Membrane

D Saha, J Vithya, R Kumar - Industrial & Engineering Chemistry …, 2022 - ACS Publications
A carrier-free 89Sr source has been produced in FBTR, IGCAR, Kalpakkam, via 89Y (n, p)
89Sr for application in nuclear medicine, especially for bone pain palliation. Purification of …

Solution structure of a europium–nicotianamine complex supports that phytosiderophores bind lanthanides

DS Kaliakin, JA Sobrinho, JHSK Monteiro… - Physical Chemistry …, 2021 - pubs.rsc.org
We report the solution structure of a europium-nicotianamine complex predicted from ab
initio molecular dynamics simulations with density functional theory. Emission and excitation …