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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 ...
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 ...
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 ...
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. ...
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 ...
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. ...
Investigation of Ester- and Amide-Linker-Based Porous Organic Polymers for Carbon Dioxide Capture and Separation at Wide Temperatures and Pressures
(
American Chemical Society
, 2016 , Article)
Organic compounds, such as covalent organic framework, metal–organic frameworks, and covalent organic polymers have been under investigation to replace the well-known amine-based solvent sorption technology of CO2 and ...
Hydrogen storage in gas reservoirs: A molecular modeling and experimental investigation
(
Elsevier
, 2023 , Article)
Hydrogen is one of the clean energy sources that can be used instead of fossil fuel sources to reduce greenhouse emissions. However, hydrogen supply intermittency significantly reduces the deployment and reliability of ...
Hydrogen storage in gas reservoirs: A molecular modeling and experimental investigation
(
Elsevier
, 2023 , Article)
Hydrogen is one of the clean energy sources that can be used instead of fossil fuel sources to reduce greenhouse emissions. However, hydrogen supply intermittency significantly reduces the deployment and reliability of ...
Molecular simulations in upstream applications
(
Elsevier
, 2023 , Book chapter)
The development of powerful computers and molecular simulation has allowed researchers to use them to get useful information about electronic properties related to chemical and physical interactions at the molecular level. ...