Passage of TBP–uranyl complexes from aqueous–organic interface to the organic phase: insights from molecular dynamics simulation
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 …
tributyl phosphate (TBP) in dodecane and uranyl nitrate in the aqueous phase, which are …
Interfacial insights on the dibenzo-based crown ether assisted cesium extraction in [BMIM][Tf2N]–water binary system
The distribution coefficient of Cs is estimated using dibenzo-21-crown-7 (DB21C7) and di-
benzo-18-crown-6 (DB18C6) in 1-butyl-3-methylimidazolium bis (trifluroromethanesulphonyl …
benzo-18-crown-6 (DB18C6) in 1-butyl-3-methylimidazolium bis (trifluroromethanesulphonyl …
Dehydration induced selective ion trapping by topology constrained atomically thin graphene-crown membranes
Inspired by the host–guest recognition of crown ethers, the current era is evolving around
the graphene-crown-based atomically thin membranes that will profoundly impact diverse …
the graphene-crown-based atomically thin membranes that will profoundly impact diverse …
Competitive adsorption of ions at the oil–water interface: a possible mechanism underlying the separation selectivity for liquid–liquid solvent extraction
P Sun, K Huang, H Liu - Langmuir, 2018 - ACS Publications
Adsorption, especially competitive adsorption of ions at the interfaces, governs a wealth of
physicochemical processes. Understanding the mechanism behind these interfacial …
physicochemical processes. Understanding the mechanism behind these interfacial …
Extraction of Gd3+ and UO22+ Ions Using Polystyrene Grafted Dibenzo Crown Ether (DB18C6) with Octanol and Nitrobenzene: A Molecular Dynamics Study
Atomistic molecular dynamics (MD) simulations are performed in order to derive
thermodynamic properties important to understand the extraction of gadolinium (Gd3+) and …
thermodynamic properties important to understand the extraction of gadolinium (Gd3+) and …
Partitioning of Cs+ and Na+ ions by dibenzo-18-crown-6 ionophore in biphasic aqueous systems of octanol and ionic liquid
Molecular dynamics (MD) simulations were carried out to obtain molecular level insights on
the behavior of Cs+/Na+ ions at the water–ionic liquid and water–octanol interface in the …
the behavior of Cs+/Na+ ions at the water–ionic liquid and water–octanol interface in the …
Quantum mechanical calculations of the interactions between diazacrowns and the sodium cation: an insight into Na+ complexation in diazacrown-based synthetic ion …
Quantum mechanical calculations were performed to study the conformational behavior and
complexation between a sodium cation and a diazacrown (diaza-18-crown-6) using density …
complexation between a sodium cation and a diazacrown (diaza-18-crown-6) using density …
Extraction of Na+ ions by dibenzo-18-crown-6 in biphasic aqueous systems of ionic liquid and chloroform
DG Chandran, L Muruganandam, R Biswas - Materials Today: Proceedings, 2024 - Elsevier
The molecular dynamics simulations were carried out to explore the extraction of Na+ ions in
the ionic liquid (IL)–water, chloroform–water biphasic systems containing the crown ether …
the ionic liquid (IL)–water, chloroform–water biphasic systems containing the crown ether …
Alkali metal ion partitioning with calix [4] arene-benzo-crown-6 ionophore in acidic medium: insights from experiments, statistical mechanical framework, and …
R Biswas, A Malviya, T Banerjee… - The Journal of …, 2018 - ACS Publications
The current work reports the experimental and predicted interfacial behavior of metal ion
extraction from aqueous phase-diluent system using a newly synthesized calix-benzo-crown …
extraction from aqueous phase-diluent system using a newly synthesized calix-benzo-crown …
Extractive insights in the cesium ion partitioning with bis (2-propyloxy)-calix [4] crown-6 and dicyclohexano-18-crown-6 in ionic liquid-water biphasic systems
We report the molecular dynamics studies on the interfacial behavior of cesium (Cs+)
extraction by bis (2-propyloxy) calix [4] crown-6 (BPC6) and dicyclohexano-18-crown-6 …
extraction by bis (2-propyloxy) calix [4] crown-6 (BPC6) and dicyclohexano-18-crown-6 …