Self-diffusion in molecular fluids and noble gases: available data

O Suárez-Iglesias, I Medina, MA Sanz… - Journal of Chemical & …, 2015 - ACS Publications
Experimental self-diffusivities of gases, vapors, and liquids obtained by means of tracer
techniques and nuclear magnetic resonance are reviewed. The considered substances …

Ion transport mechanisms in liquid–liquid interface

B Qiao, JV Muntean, M Olvera de la Cruz, RJ Ellis - Langmuir, 2017 - ACS Publications
Interfacial liquid–liquid ion transport is of crucial importance to biotechnology and industrial
separation processes including nuclear elements and rare earths. A water-in-oil …

Using Metadynamics to Reveal Extractant Conformational Free Energy Landscapes

X Wang, MJ Servis - The Journal of Physical Chemistry B, 2023 - ACS Publications
Understanding the impact of extractant functionalization on metal-binding energetics in
liquid–liquid extraction is essential to guide the development of better separation processes …

Surfactant-enhanced heterogeneity of the aqueous interface drives water extraction into organic solvents

MJ Servis, AE Clark - Physical Chemistry Chemical Physics, 2019 - pubs.rsc.org
Liquid/liquid extraction (LLE) is one of the most industrially relevant separation methods,
successfully leveraging the variable solubility of solutes (or their complexes) between two …

A novel microemulsion phase transition: Toward the elucidation of third-phase formation in spent nuclear fuel reprocessing

J Mu, R Motokawa, K Akutsu, S Nishitsuji… - The Journal of …, 2018 - ACS Publications
We present evidence that the transition between organic and third phases, which can be
observed in the plutonium uranium reduction extraction (PUREX) process at high metal …

A quantum-chemistry and molecular-dynamics study of non-covalent interactions between tri-n-butyl phosphate and 1-butyl-3-methylimidazolium bis …

C Li, H He, C Hou, M He, C Jiao, Q Pan… - Journal of Molecular …, 2022 - Elsevier
The complicated behavior of extractants in ionic liquids (ILs) has posed great challenges for
radionuclides separation and purification. In this regard, a theoretical investigation of …

Network analysis and percolation transition in hydrogen bonded clusters: nitric acid and water extracted by tributyl phosphate

MJ Servis, DT Wu, JC Braley - Physical Chemistry Chemical Physics, 2017 - pubs.rsc.org
Extraction of polar molecules by amphiphilic species results in a complex variety of clusters
whose topologies and energetics control phase behavior and efficiency of liquid–liquid …

The lanthanide contraction beyond coordination chemistry

G Ferru, B Reinhart, MK Bera… - … A European Journal, 2016 - Wiley Online Library
The lanthanide contraction is conceptualized traditionally through coordination chemistry.
Here we break this mold in a structural study of lanthanide ions dissolved in an amphiphilic …

Passage of TBP–uranyl complexes from aqueous–organic interface to the organic phase: insights from molecular dynamics simulation

P Sahu, SM Ali, KT Shenoy - Physical Chemistry Chemical Physics, 2016 - pubs.rsc.org
The present study reports molecular dynamics simulations for biphasic systems comprising
tributyl phosphate (TBP) in dodecane and uranyl nitrate in the aqueous phase, which are …

Amphiphile organization in organic solutions: An alternative explanation for small-angle x-ray scattering features in malonamide/alkane mixtures

MJ Servis, M Piechowicz, IA Shkrob… - The Journal of …, 2020 - ACS Publications
The role of different intermolecular interactions in the aggregation of amphiphiles in an
organic solvent is studied for systems of relevance to liquid–liquid extraction (LLE), a …