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A quantum chemistry study of natural gas hydrates
(
Springer Verlag
, 2014 , Article)
The structure and properties of natural gas hydrates containing hydrocarbons, CO2, and N2 molecules were studied by using computational quantum chemistry methods via the density functional theory approach. All host cages ...
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. ...
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 ...
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. ...
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 ...