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 …

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 …

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 …

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 …

Solubilities of some gases in four immidazolium-based ionic liquids

W Afzal, X Liu, JM Prausnitz - The Journal of Chemical Thermodynamics, 2013 - Elsevier
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 …

Screening of RTILs for propane/propylene separation using COSMO-RS methodology

M Fallanza, M González-Miquel, E Ruiz, A Ortiz… - Chemical engineering …, 2013 - Elsevier
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 …

[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 …

T Brouwer, SRA Kersten, G Bargeman… - Separation and …, 2021 - Elsevier
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 …

Solubility of glucose, xylose, fructose and galactose in ionic liquids: Experimental and theoretical studies using a continuum solvation model

M Mohan, VV Goud, T Banerjee - Fluid Phase Equilibria, 2015 - Elsevier
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 …

Hydrogen bonding interaction between acetate-based ionic liquid 1-ethyl-3-methylimidazolium acetate and common solvents

Y Chen, Y Cao, X Sun, T Mu - Journal of Molecular Liquids, 2014 - Elsevier
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 …

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 …