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Viscous behavior of imidazolium-based ionic liquids
(2013 , Article)
The viscosity of four imidazolium-based ionic liquids is analyzed as a function of pressure and temperature. Experimental measurements were carried out using an electromagnetic moving piston viscometer in the 303-353 K and ...
Insights into Tris-(2-Hydroxylethyl)methylammonium Methylsulfate Aqueous Solutions
(
WILEY-VCH Verlag
, 2012 , Article)
We report herein a combined experimental–computational study on tris-(2-hydroxylethyl)methylammonium methylsulfate in water solutions, as a representative ionic liquid of the aqueous-solution behavior of hydroxylammonium-based ...
Structure of alkylcarbonate + n-alkane mixed fluids
(
American Chemical Society
, 2014 , Article)
The properties of dialkylcarbonate + n-alkane mixed fluids were studied both from macroscopic and from microscopic viewpoints using thermophysical measurements combined with classic molecular dynamics simulations and DFT ...
Theoretical study on the solvation of C60 fullerene by ionic liquids
(
American Chemical Society
, 2014 , Article)
The solvation of C60 fullerene by 24 different ionic liquids belonging to the imidazolium, piperazinium, and cholinium families was analyzed from a nanoscopic viewpoint using classic molecular dynamics simulations and ...
Insights of CO2 adsorption performance of amine impregnated mesoporous silica (SBA-15) at wide range pressure and temperature conditions
(
Elsevier Ltd
, 2015 , Article)
Beside IGCC, efficient storage and transportation of CO2 and other gases require pressurize conditions. CO2 and other gases adsorption on solid sorbents at high pressure and various temperatures are extremely important as ...
Gas hydrate inhibition: A review of the role of ionic liquids
(
American Chemical Society
, 2014 , Article)
Ionic liquids (ILs) are popular designer green chemicals with great potential for use in diverse energy-related applications. Apart from the well-known low vapor pressure, the physical properties of ILs, such as ...
High pressure CO2 absorption studies on imidazolium-based ionic liquids: Experimental and simulation approaches
(2013 , Article)
A combined experimental-computational study on the CO2 absorption on 1-butyl-3-methylimidazolium hexafluophosphate, 1-ethyl-3-methylimidazolium bis[trifluoromethylsulfonyl]imide, and 1-butyl-3-methylimidazolium ...
Investigation of the performance of biocompatible gas hydrate inhibitors via combined experimental and DFT methods
(
Academic Press
, 2017 , Article)
In this work, three ionic liquids (ILs) from the bio-compatible family of choline cations attached to anions of varying hydrophobicity namely: choline acetate (ChOAc), choline bistriflamide (ChNtf2), and choline chloride ...
A detailed study of cholinium chloride and levulinic acid deep eutectic solvent system for CO2capture via experimental and molecular simulation approaches
(
Royal Society of Chemistry
, 2015 , Article)
Choline chloride + levulinic acid deep eutectic solvent is studied as a suitable material for CO2capturing purposes. The most relevant physicochemical properties of this solvent are reported together with the CO2solubility ...
Viscous origin of ionic liquids at the molecular level: A quantum chemical insight
(
Elsevier
, 2014 , Article)
The viscosity of selected families of ionic liquids has been assessed at the molecular level as a function of the intermolecular interactions using Density Functional Theory together with Atoms-in-a-Molecule and Natural ...