Using Metadynamics to Reveal Extractant Conformational Free Energy Landscapes
Understanding the impact of extractant functionalization on metal-binding energetics in
liquid–liquid extraction is essential to guide the development of better separation processes …
liquid–liquid extraction is essential to guide the development of better separation processes …
Decomposition of liquid-liquid extraction organic phase structure into critical and pre-peak contributions
Solution nanostructure induced by amphiphile self-association plays an important role in
various chemical and physical processes, including liquid-liquid extraction (LLE). Small …
various chemical and physical processes, including liquid-liquid extraction (LLE). Small …
Using Weak Aggregation for Solubilization and Separation
This chapter examines the experimental situations where insoluble molecules must be
dissolved or dispersed in water without relying on the addition of surfactants. The symmetric …
dissolved or dispersed in water without relying on the addition of surfactants. The symmetric …
Reinforcement learning based hybrid bond-order coarse-grained interatomic potentials for exploring mesoscale aggregation in liquid–liquid mixtures
Exploring mesoscopic physical phenomena has always been a challenge for brute-force all-
atom molecular dynamics simulations. Although recent advances in computing hardware …
atom molecular dynamics simulations. Although recent advances in computing hardware …
Insights into water extraction and aggregation mechanisms of malonamide-alkane mixtures
Structure at the nanoscale in the organic phase of liquid–liquid extraction systems is often
tied to separation performance. However, the weak interactions that drive extractant …
tied to separation performance. However, the weak interactions that drive extractant …
Solving the problem of the'third phase'in the extraction process by regulating the formation of micelles
T Li, S Dong, Q Wei, X Ren - Journal of Environmental Chemical …, 2024 - Elsevier
Based on the theory of critical micelle, a Gemini type amide based ionic liquid system was
developed to effectively extract Zr (IV) and Hf (IV) dispersed in an acidic chloride solution …
developed to effectively extract Zr (IV) and Hf (IV) dispersed in an acidic chloride solution …
Speciation and organic phase structure in nitric acid extraction with trioctylamine
Understanding chemical speciation and intermolecular interactions in multicomponent
liquids is essential to understanding their phase and chemical equilibria, which underpin …
liquids is essential to understanding their phase and chemical equilibria, which underpin …
Surveying Phase Modifier Functional Groups for Applications to Ln (III) Separations
The application of N, N, N′, N′-tetraoctyl diglycolamide (TODGA) in solvent extraction
systems for lanthanide (Ln) separations is well understood. In these systems, the formation …
systems for lanthanide (Ln) separations is well understood. In these systems, the formation …
Effect of ion to ligand ratio on the aqueous to organic relative solubility of a lanthanide–ligand complex
In the solvent extraction of rare earth elements, mechanistic aspects remain unclear
regarding where and how extractant molecules coordinate metal ions and transport them …
regarding where and how extractant molecules coordinate metal ions and transport them …
Impact of branching position and degree on uranium extraction by amines: A supramolecular and thermodynamic study
E Guerinoni, F Giusti, S Dourdain, JF Dufrêche… - Journal of Molecular …, 2024 - Elsevier
In uranium production, liquid–liquid extraction using the AMEX (AMine EXtraction) process
employs tertiary amines solubilized in an aliphatic diluent. Practical constraints as phase …
employs tertiary amines solubilized in an aliphatic diluent. Practical constraints as phase …