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Now showing items 11-17 of 17
The impact of charges in force field parameterization for molecular dynamics simulations of deep eutectic solvents
(
Elsevier
, 2015 , Article)
The nanoscopic characteristics and macroscopic physicochemical properties of choline chloride:levulinic acid (1:2 mole ratio) deep eutectic solvent are analyzed from molecular dynamics simulations. Considering the ionic ...
Systematic Study on the Viscosity of Ionic Liquids: Measurement and Prediction
(
American Chemical Society
, 2015 , Article)
Dynamic viscosity for twenty-seven ionic liquids involving ions with molecular structures selected to infer the effects of molecular structure on fluids' viscosity is reported in this work as a function of temperature. The ...
Review on the Use of Ionic Liquids (ILs) as Alternative Fluids for CO2 Capture and Natural Gas Sweetening
(
American Chemical Society
, 2010 , Article)
The capture of CO2 from flue gases derived from fossil-fueled power plants and the absorption of CO2/H2S for natural gas sweetening purposes are two relevant industrial problems closely related to very important environmental, ...
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 ...
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 ...