The Coordination Chemistry of f‐Block Elements in Molten Salts
S Jiang, Y Liu, L Wang, Z Chai… - Chemistry–A European …, 2022 - Wiley Online Library
The coordination chemistry of f‐block elements (lanthanide and actinide) in molten salts has
become a resounding topic in view of its great importance to the research and development …
become a resounding topic in view of its great importance to the research and development …
Water-In-Salt LiTFSI Aqueous Electrolytes (2): Transport Properties and Li+ Dynamics Based on Molecular Dynamics Simulations
The transport properties of water-in-salt lithium bis (trifluoromethane sulfonyl) imide (LiTFSI)
aqueous electrolytes were studied using classical molecular dynamics (MD) simulations. At …
aqueous electrolytes were studied using classical molecular dynamics (MD) simulations. At …
Do Ionic Liquids Slow Down in Stages?
B Borah, GR Acharya, D Grajeda… - Journal of the …, 2023 - ACS Publications
High impact recent articles have reported on the existence of a liquid–liquid (L–L) phase
transition as a function of both pressure and temperature in ionic liquids (ILs) containing the …
transition as a function of both pressure and temperature in ionic liquids (ILs) containing the …
A holistic approach for elucidating local structure, dynamics, and speciation in molten salts with high structural disorder
To examine ion solvation, exchange, and speciation for minority components in molten salts
(MS) typically found as corrosion products, we propose a multimodal approach combining …
(MS) typically found as corrosion products, we propose a multimodal approach combining …
A brief guide to the structure of high-temperature molten salts and key aspects making them different from their low-temperature relatives, the ionic liquids
High-temperature molten salt research is undergoing somewhat of a renaissance these
days due to the apparent advantage of these systems in areas related to clean and …
days due to the apparent advantage of these systems in areas related to clean and …
Structural Origins of Viscosity in Imidazolium and Pyrrolidinium Ionic Liquids Coupled with the NTf2– Anion
Ionic liquid viscosity is one of the most important properties to consider for practical
applications. Yet, the connection between local structure and viscosity remains an open …
applications. Yet, the connection between local structure and viscosity remains an open …
Unraveling Local Structure of Molten Salts via X-ray Scattering, Raman Spectroscopy, and Ab Initio Molecular Dynamics
In this work, we resolve a long-standing issue concerning the local structure of molten
MgCl2 by employing a multimodal approach, including X-ray scattering and Raman …
MgCl2 by employing a multimodal approach, including X-ray scattering and Raman …
Prediction on local structure and properties of LiCl-KCl-AlCl3 ternary molten salt with deep learning potential
M Bu, T Feng, G Lu - Journal of Molecular Liquids, 2023 - Elsevier
Abstract LiCl-KCl-AlCl 3 molten salt is the main electrolyte for Al-Li alloys electrolysis. It's
beneficial for the electrolyte optimization to have a deeply understand to the local structure …
beneficial for the electrolyte optimization to have a deeply understand to the local structure …
Refined classical force field for choline chloride and ethylene glycol mixtures over wide composition range
A classical force field based on the General Amber Force Field (GAFF) was refined for the
simulation of choline chloride (ChCl) and ethylene glycol (EG) mixtures over a wide …
simulation of choline chloride (ChCl) and ethylene glycol (EG) mixtures over a wide …
Thermodynamic investigation of the NaCl-KCl salt system from 25 to 950° C
J Lonergan, V Goncharov, M Swinhart… - Journal of Molecular …, 2023 - Elsevier
NaCl-KCl molten salt system has been proposed as a primary component of several
promising heat transfer eutectics and fuel host for Generation IV molten salt reactors (MSR) …
promising heat transfer eutectics and fuel host for Generation IV molten salt reactors (MSR) …