Spectroscopic and Chemical Properties of Ionic Liquids: Computational Study.
Sign Up to like & getrecommendations! Published in 2023 at "Chemical record"
DOI: 10.1002/tcr.202300075
Abstract: A brief account is given of highlights of our computational efforts - often in collaboration with experimental groups - to understand spectroscopic and chemical properties of ionic liquids (ILs). Molecular dynamics, including their inhomogeneous character,… read more here.
Keywords: properties ionic; chemical properties; liquids computational; ionic liquids ... See more keywords
Experimental and calculation studies on the relationship between the hygroscopic behavior and lubrication properties of ionic liquids
Sign Up to like & getrecommendations! Published in 2020 at "Applied Surface Science"
DOI: 10.1016/j.apsusc.2020.147031
Abstract: Abstract The hygroscopic nature of four ionic liquids (ILs) (1-hexyl-4-methylimidazolium chloride ([HMIM][Cl]), 1-octyl-4-methylimidazolium chloride ([OMIM][Cl]), 1-hexyl-4-methylimidazolium bromide ([HMIM][Br]), 1-octyl-4-methylimidazolium bromide ([OMIM][Br])) is known to affect their physicochemical properties, but the effect on the tribological properties… read more here.
Keywords: properties ionic; water; based ils; ionic liquids ... See more keywords
Cohesive Properties of Ionic Liquids Calculated from First Principles.
Sign Up to like & getrecommendations! Published in 2019 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.9b00625
Abstract: Low volatility of ionic liquids (ILs), being one of their most valuable properties, is also the principle factor making reliable measurements of vapor pressures and vaporization (or sublimation) enthalpies of ILs extremely difficult. Alternatively, vaporization… read more here.
Keywords: sublimation; molecular crystals; cohesive properties; ionic liquids ... See more keywords
A comprehensive review of the structures and properties of ionic polymeric materials
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DOI: 10.1039/d0py00770f
Abstract: Dynamic materials, which include ionic polymeric materials, contain specific bonds or interactions that can reversibly break and reform under certain stimuli or conditions. Among them, ionic polymeric materials leverage the dynamic and reversible nature of… read more here.
Keywords: ionic polymeric; polymeric materials; comprehensive review; properties ionic ... See more keywords
Surface fluorine preservation dependence of Ti3C2Tx MXene for high electrochemical properties in ionic liquid electrolytes.
Sign Up to like & getrecommendations! Published in 2023 at "Chemical communications"
DOI: 10.1039/d2cc06009d
Abstract: We identified the contribution of -CF3 terminations to the Ti3C2Tx surface structure when ethanol and water were used as solvents during delamination through experimental and computational studies. Ethanol-treated -CF3-terminated Ti3C2Tx achieves better prevention of nanoflake… read more here.
Keywords: fluorine preservation; liquid electrolytes; surface fluorine; properties ionic ... See more keywords
Structural and dynamical properties of ionic liquids: a molecular dynamics study employing DL_POLY 4
Sign Up to like & getrecommendations! Published in 2019 at "Molecular Simulation"
DOI: 10.1080/08927022.2019.1651931
Abstract: ABSTRACT Molecular dynamics simulations are often used to study the structures and dynamics of ionic liquids. Here, we have simulated three ionic liquids, trihexyl(tetradecyl)-phosphonium chloride [P66614][Cl], 1-butyl-3-methylimidazolium acecate [BMIm][Oac] and 1-ethyl-3-methylimidazolium dicyanamide, [EMIm][DCA] in a… read more here.
Keywords: dynamical properties; liquids molecular; molecular dynamics; structural dynamical ... See more keywords
Effect of a temperature gradient on the screening properties of ionic fluids
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DOI: 10.1103/physrevmaterials.7.045803
Abstract: The electrostatic screening properties of ionic fluids are of paramount importance in countless physical processes. Yet, the behavior of ionic conductors out of thermal equilibrium has to date mainly been studied in the context of… read more here.
Keywords: ionic fluids; equilibrium; properties ionic; screening properties ... See more keywords
Thermal and Electrochemical Properties of Ionic Liquids Bearing Allyl Group with Sulfonate-Based Anions—Application Potential in Epoxy Resin Curing Process
Sign Up to like & getrecommendations! Published in 2023 at "Molecules"
DOI: 10.3390/molecules28020709
Abstract: Sulfonate-based ionic liquids (ILs) with allyl-containing cations have been previously obtained by us, however, the present study aims to investigate the thermal, electrochemical and curing properties of these ILs. To determine the temperature range in… read more here.
Keywords: thermal electrochemical; properties ionic; ionic liquids; electrochemical properties ... See more keywords