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السجلات المعروضة 11 -- 16 من 16
Adsorption of CO2 on Cu/SiO2 nano-catalyst: Experimental and theoretical study
(
Elsevier B.V.
, 2022 , Article)
Copper-based silica is a promising catalyst for several reaction pathways for CO2 conversion to hydrocarbons. The activity of this catalyst in terms of conversion and product selectivity is affected by CO2 adsorption, ...
Theoretical studies of methane adsorption on Silica-Kaolinite interface for shale reservoir application
(
Elsevier B.V.
, 2021 , Article)
Shale gas is mostly made up of methane and is currently being exploited in fulfilling the world's energy demands. Density Functional Theory (DFT) and Molecular Dynamics (MD) techniques are employed for understanding methane ...
Ab-Initio Molecular Dynamics investigation of gas adsorption on α-quartz (001) for CO2 enhanced natural gas recovery
(
Elsevier B.V.
, 2021 , Article)
In this work, the interaction of methane and carbon dioxide on α-quartz with surface 001, with a siloxane termination (dense) surface was investigated by means of Ab-Initio Molecular Dynamics. Different temperatures were ...
High pressure CO2 absorption studies on imidazolium-based ionic liquids: Experimental and simulation approaches
(2013 , Article)
A combined experimental-computational study on the CO2 absorption on 1-butyl-3-methylimidazolium hexafluophosphate, 1-ethyl-3-methylimidazolium bis[trifluoromethylsulfonyl]imide, and 1-butyl-3-methylimidazolium ...
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. ...
Mechanical and Electrical Properties of Styrene-Isoprene-Styrene Copolymer Doped with Expanded Graphite Nanoplatelets
(
Hindawi Publishing Corporation
, 2015 , Article)
The molecular dynamics of a triblock copolymer and of expanded graphite nanoplatelets were investigated. Composites were prepared using the solution technique. The effects of filler addition and of filler-matrix interactions ...