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Synthesis, characterization and evaluation of porous polybenzimidazole materials for CO2 adsorption at high pressures
(
Springer New York LLC
, 2016 , Article)
Porous polybenzimidazole polymers have been under investigation for high and low pressure CO2 adsorption due to the well-built stability under high pressure and at various temperatures. Pressure swing and temperature swing ...
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 ...
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 ...
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. ...
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 ...
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) ...
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, ...
Gas hydrates inhibition via combined biomolecules and synergistic materials at wide process conditions
(
Elsevier B.V.
, 2017 , Article)
The motive of this research to present a systematic study in context of implementation of gas hydrate inhibitors that are obtained via naturally occurring amino acids (L-Alanine, Glycine, L-Histidine, L-Phenylalanine and ...