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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 ...
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 ...
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 ...
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 ...
Study on hydroxylammonium-based ionic liquids. II. Computational analysis of CO2 absorption
(
American Chemical Society
, 2011 , Article)
In the previous work of this series, we reported a wide experimental and computational analysis of the properties of hydroxylammonium-based ionic liquids. This family of ionic liquids shows very favorable economical, ...
Study on hydroxylammonium-based ionic liquids. I. Characterization
(
American Chemical Society
, 2011 , Article)
Two selected ammonium-based ionic liquids, 2-hydroxyethyltrimethylammonium l-(+)-lactate and tris(2-hydroxyethyl)methylammonium methylsulfate, were fully characterized. The most relevant thermophysical properties of pure ...
CO 2 adsorption studies on Prussian blue analogues
(
Elsevier Inc.
, 2012 , Article)
Carbon dioxide (CO2) adsorption capacities of several Prussian blue (PB) analogues have been studied using the state-of-the-art Rubotherm® sorption apparatus to obtain adsorption and desorption isotherms of these compounds ...
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 ...
Nanowetting of Graphene by Ionic Liquid Droplets
(
American Chemical Society
, 2015 , Article)
The behavior of nanodroplets formed by amino acid based 1-ethyl-3-methylimidazolium glycine ionic liquid on graphene sheets was studied using classic molecular dynamics. Nanodroplets of different sizes were analyzed, and ...