Browsing by Subject "Adsorption energies"
Now showing items 1-5 of 5
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A theoretical study of gas adsorption on α-quartz (0 0 1) for CO2 enhanced natural gas recovery
( Elsevier B.V. , 2020 , Article)The adsorption of gas molecules (CO2, CH4, H2O, H2S and N2) on the “dense” (0 0 1) surface of α-quartz has been investigated by means of Density Functional Theory (DFT) for the molecular characterization of Enhanced Gas ... -
Adsorption energy and pore-size distributions of activated carbons calculated using Hill's model
( Multi-Science Publishing Co. Ltd , 2014 , Article)An integral equation derived using a statistical physics treatment by considering the adsorption energy distribution (AED) was used to model the adsorption of ethylene and ethane on resorcinol-formaldehyde-based activated ... -
Effect of strain on gas adsorption in tight gas carbonates: A DFT study
( Elsevier B.V. , 2021 , Article)The geometrical properties of the reservoir rocks are usually affected by natural thermodynamics or environmental changes. These factors may modify the distribution and the amount of gas in place in the reservoir. To address ... -
Influence of natural gas composition on adsorption in calcite Nanopores: A DFT study
( Elsevier B.V. , 2021 , Article)Density functional theory is used to study the adsorption of natural gas components in calcite (10.4) cylindrical nanopores with 1–4 nm diameters. The change of adsorption energy with the diameter of the nanopores is studied ... -
Porous dendritic BiSn electrocatalysts for hydrogenation of 5-hydroxymethylfurfural
( Royal Society of Chemistry , 2022 , Article)The electrocatalytic hydrogenation of 5-hydroxymethylfurfural (HMF) to 2,5-bis(hydroxymethyl)furan (BHMF) is an alternative to conventional heterogeneous catalysis with H2 at high temperatures and pressures. Although Ag ...
