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Now showing items 11-20 of 21
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 ...
Large CO2 uptake on a monolayer of CaO
(
Royal Society of Chemistry
, 2017 , Article)
Density functional theory calculations are used to study gas adsorption properties of a recently synthesized CaO monolayer, which is found to be thermodynamically stable in its buckled form. Due to its topology and strong ...
Pyrite-scale removal using glutamic diacetic acid: A theoretical and experimental investigation
(
Society of Petroleum Engineers (SPE)
, 2021 , Article)
Iron sulfide scale causes major losses in both upstream and downstream sectors of the hydrocarbon industry. Pyrite is one of the most-difficult forms of iron sulfide scale from a removal point of view. Inorganic acids such ...
A theoretical study of gas adsorption on calcite for CO2 enhanced natural gas recovery
(
Elsevier B.V.
, 2020 , Article)
The adsorption of gas molecules (CO2, CH4, H2O, H2S and N2) on calcite (104) has been studied by means of Density Functional Theory for molecular characterization of Enhanced Gas Recovery (EGR) CO2 injection. Results show ...
Effect of surface morphology on methane interaction with calcite: a DFT study
(
Royal Society of Chemistry
, 2020 , Article)
Natural gas, consisting primarily of methane, is found in carbonate reservoirs of which calcite is major component. However, the complexity and heterogeneity of carbonate reservoirs remain a major challenge in estimating ...
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 ...
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. ...
A sustainable approach to synthesize phosphonated chitosan using ball milling and its application for oilfield scale management
(
Royal Society of Chemistry
, 2022 , Article)
For many years, the oil and gas industry has strived to develop environmentally friendly organophosphorus-based scale inhibitors. The natural polymer chitosan has recently gained significant importance for various upstream ...
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 ...