Search
Now showing items 1-6 of 6
Theoretical study on amino acid-based ionic pairs and their interaction with carbon nanostructures
(
American Chemical Society
, 2014 , Article)
Quantum chemistry methods were used to analyze the properties of ionic pairs formed by combination of the 1-ethyl-3-methylimidazolium cation with anions derived from alanine, glycine, serine, and phenylalanine amino acids, ...
Gas Hydrate Prevention and Flow Assurance by Using Mixtures of Ionic Liquids and Synergent Compounds: Combined Kinetics and Thermodynamic Approach
(
American Chemical Society
, 2016 , Article)
The thermodynamic and kinetic hydrates inhibition effects of addition of synergents poly(ethylene oxide) (PEO) and vinyl caprolactum (VCAP) with ionic liquids 1-methyl-1-propylpyrrolidinium chloride [PMPy][Cl] and ...
Experimental and DFT Approach on the Determination of Natural Gas Hydrate Equilibrium with the Use of Excess N2 and Choline Chloride Ionic Liquid as an Inhibitor
(
American Chemical Society
, 2016 , Article)
This work presents the characterization of hydrate-forming conditions of a Qatari natural gas-type mixture, QNG-S1, obtained using two different experimental methods, namely, a benchtop reactor and a gas hydrate autoclave. ...
Interaction Mechanism Insights on the Solvation of Fullerene B(80)with Choline-based Ionic Liquids
(
American Chemical Society
, 2015 , Article)
Beyond carbon allotropes, other nanostructures such as fullerene B80 are attracting a growing interest due to their potential applications. The use of new materials based on fullerene B80 is still in a premature stage; ...
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. ...
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, ...