The general AMBER force field (GAFF) can accurately predict thermodynamic and transport properties of many ionic liquids
KG Sprenger, VW Jaeger… - The Journal of Physical …, 2015 - ACS Publications
We have applied molecular dynamics to calculate thermodynamic and transport properties
of a set of 19 room-temperature ionic liquids. Since accurately simulating the thermophysical …
of a set of 19 room-temperature ionic liquids. Since accurately simulating the thermophysical …
Determination of physicochemical properties of ionic liquids by gas chromatography
CF Poole, SN Atapattu - Journal of Chromatography A, 2021 - Elsevier
Over the years room temperature ionic liquids have gained attention as solvents with
favorable environmental and technical features. Both chromatographic and conventional …
favorable environmental and technical features. Both chromatographic and conventional …
Activity coefficients at infinite dilution of organic solvents and water in 1-butyl-3-methylimidazolium dicyanamide. A literature review of hexane/hex-1-ene separation
U Domańska, M Wlazło, M Karpińska - Fluid Phase Equilibria, 2016 - Elsevier
The work presented focused on the experimental data of the activity coefficients at infinite
dilution,(γ 13∞) of several solutes in ionic liquid of 1-butyl-3-methylimidazolium …
dilution,(γ 13∞) of several solutes in ionic liquid of 1-butyl-3-methylimidazolium …
Densities, viscosities, and conductivities of the imidazolium ionic liquids [Emim][Ac],[Emim][FAP],[Bmim][BETI],[Bmim][FSI],[Hmim][TFSI], and [Omim][TFSI]
A Nazet, S Sokolov, T Sonnleitner… - Journal of Chemical & …, 2015 - ACS Publications
Data for the transport properties electrical conductivity, κ, and dynamic viscosity, η, of the
imidazolium ionic liquids [Emim][FAP],[Emim][Ac],[Bmim][BETI],[Bmim][FSI],[Hmim][TFSI], and …
imidazolium ionic liquids [Emim][FAP],[Emim][Ac],[Bmim][BETI],[Bmim][FSI],[Hmim][TFSI], and …
Solubilities of some gases in four immidazolium-based ionic liquids
The synthetic-volumetric method is used for rapidly measuring solubilities of sparingly-
soluble gases in monoethylene glycol and in four ionic liquids. Known molar quantities of …
soluble gases in monoethylene glycol and in four ionic liquids. Known molar quantities of …
Screening of RTILs for propane/propylene separation using COSMO-RS methodology
The quantum chemical COSMO-RS method was applied to analyze the equilibrium solubility
of gaseous propane and propylene in a set of different room temperature ionic liquids in …
of gaseous propane and propylene in a set of different room temperature ionic liquids in …
[HTML][HTML] Trends in solvent impact on infinite dilution activity coefficients of solutes reviewed and visualized using an algorithm to support selection of solvents for …
The infinite dilution activity coefficient, γ i∞, is a frequently used molecular descriptor to pre-
select a solvent for various kinds of fluid separations. Unfortunately, information related to …
select a solvent for various kinds of fluid separations. Unfortunately, information related to …
Solubility of glucose, xylose, fructose and galactose in ionic liquids: Experimental and theoretical studies using a continuum solvation model
A molecular screening of 64 ionic liquids (IL's) for the solubility of monosaccharides such as
d-(+)-Glucose, d-(+)-Xylose, d-(−)-Fructose and d-(+)-Galactose were performed by …
d-(+)-Glucose, d-(+)-Xylose, d-(−)-Fructose and d-(+)-Galactose were performed by …
Hydrogen bonding interaction between acetate-based ionic liquid 1-ethyl-3-methylimidazolium acetate and common solvents
The hydrogen bonding interaction between acetate-based ionic liquids (AcILs) 1-ethyl-3-
methylimidazolium acetate [EMIM][Ac] and seven solvents (deuterated water D 2 O …
methylimidazolium acetate [EMIM][Ac] and seven solvents (deuterated water D 2 O …
Modeling the density of ionic liquids with ePC-SAFT
X Ji, C Held - Fluid Phase Equilibria, 2016 - Elsevier
Abstract ePC-SAFT was used to model the densities of ionic liquids (ILs) up to high
pressures and temperatures. The ILs under consideration contained one of the IL-cations [C …
pressures and temperatures. The ILs under consideration contained one of the IL-cations [C …