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A systematic approach to design task-specific ionic liquids and their optimal operating conditions
(
Royal Society of Chemistry
, 2016 , Article)
Carbon capture and storage (CCS) has gained great interest in recent years as a potential technology to mitigate industrial carbon dioxide (CO2) emissions. Ionic liquids (ILs) were identified as potential CO2 capturing ...
Insights into choline chloride-phenylacetic acid deep eutectic solvent for CO2 absorption
(
Royal Society of Chemistry
, 2016 , Article)
The properties of choline chloride plus phenylacetic acid deep eutectic solvents in neat liquid state and upon absorption of CO2 are analyzed using a theoretical approach combining quantum chemistry using Density Functional ...
A molecular dynamics study on aminoacid-based ionic liquids
(
Elsevier
, 2016 , Article)
The properties of aminoacid based ionic liquids are studied using classic molecular dynamic simulations. Ionic liquids comprising glycine, serine, alanine and phenyl alanine anions combined with 1-ethyl-3-methylimidazolium, ...
High performance CO2 filtration and sequestration by using bromomethyl benzene linked microporous networks
(
Royal Society of Chemistry
, 2016 , Article)
Porous solid sorbents have been investigated for the last few decades to replace the costly amine solution and explore the most efficient and economical material for CO2 capture and storage. Covalent organic polymers (COPs) ...
Doubly dual nature of ammonium-based ionic liquids for methane hydrates probed by rocking-rig assembly
(
Royal Society of Chemistry
, 2016 , Article)
This work presents a systematic study of methane hydrate inhibition in the presence of five structurally variable ionic liquids (ILs) belonging to the ammonium family—viz., tetra-alkylammonium acetate (TMAA), choline ...
Flavonol-carbon nanostructure hybrid systems: A DFT study on the interaction mechanism and UV/Vis features
(
Royal Society of Chemistry
, 2016 , Article)
Flavonols are a class of natural compounds with potential biological and pharmacological applications. They are also natural pigments responsible for the diversity of colors in plants. Flavonols offer the possibility of ...
Physicochemical Insights on Alkylcarbonate-Alkanol Solutions
(
American Chemical Society
, 2016 , Article)
Macroscopic properties and structuring at the molecular level of dialkylcarbonate + 1-alkanol mixed fluids have been studied as a function of alkyl chain lengths in 1-alkanol and dialkylcarbonate, mixture composition, and ...
Deep eutectic solvents on the surface of face centered cubic metals
(
American Chemical Society
, 2016 , Article)
The properties of the deep eutectic solvent based on choline chloride and levulinic acid, for 1:2 molar ratio, on the (100) surfaces of metals with face centered cubic crystal structures (Ag, Al, and Pt) are studied using ...
Interfacial properties of 1-ethyl-3-methylimidazolium glycinate ionic liquid regarding CO2, SO2 and water from molecular dynamics
(
Elsevier B.V.
, 2016 , Article)
The surface properties of 1-ethyl-3-methylimidazolium glycinate ionic liquid, as a model of amino acid-based compounds, in contact with a vacuum, CO2, SO2 and flue gas phases are studied using molecular dynamics simulations. ...
Amidoximes: Promising candidates for CO 2 capture
(
Royal Society of Chemistry
, 2011 , Article)
Monoethanolamine (MEA) dominates power plant carbon dioxide (CO 2) scrubbing processes, though with major disadvantages such as a 8-35% energy penalty. Here we report that structurally comparable amidoximes are promising ...