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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 ...
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 ...
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 ...
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 ...
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 ...