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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 ...
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 ...
The effect of vacancy defects on the adsorption of methane on calcite 104 surface
(
Elsevier Editora Ltda
, 2021 , Article)
Density functional theory calculations are used to study the effect of vacancy defects (ionic Ca and charge neutral CO3) on the adsorption properties of CH4 molecule on different calcite surfaces. Both types of vacancy ...
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 ...
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 ...