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AuthorCarchini G.
AuthorHussein I.
AuthorAl-Marri M.J.
AuthorShawabkeh R.
AuthorAparicio S.
Available date2022-04-25T10:59:48Z
Publication Date2019
Publication Name3rd EAGE WIPIC Workshop: Reservoir Management in Carbonates
ResourceScopus
URIhttps://www.scopus.com/inward/record.uri?eid=2-s2.0-85091772284&partnerID=40&md5=1a43d4918f845af1c04895e1d4d95e00
URIhttp://hdl.handle.net/10576/30422
AbstractThe adsorption of gas molecules (CO2, CH4, H2O, H2S and N2) on calcite (104) has been studied by means of Density Functional Theory, in order to investigate the molecular characterization of Enhanced Gas Recovery (EGR) processes by CO2 injection. Results show that the geometries of both the surface and gas were not affected by the adsorption, highlighting the physisorption nature of the process. Water and hydrogen sulphide adsorb the strongest due to hydrogen bonding, while carbon dioxide follows next. Regarding the other gases, nitrogen adsorption is stronger in average when compared to methane, with a certain degree of complexity. In general, all the configurations' energies can be found in a range of less than 0.4 eV for each adsorbate. Nevertheless, the larger affinity of CO2 in comparison with methane confirms the suitability of CO2 injection for methane release in EGR operations. The stronger water adsorption compared to carbon dioxide (-0.91 eV versus -0.38 eV) gives a quantitative estimate of the impact of water as impurity. Further investigations need to address this issue, since this aspect could dramatically hinder the application of the whole technique. Coverage studies on methane and carbon dioxide further highlights the affinity of the latter to the carbonate surface.
SponsorThe authors would like to acknowledge the support of Qatar National Research Fund (a member of Qatar Foundation) through Grant # NPRP10-0125-170235. The findings achieved herein are solely the responsibility of the authors. In addition, we would like to thank Texas A&M University in Qatar for thesufeoe ir ctohmputational resources.
Languageen
PublisherEuropean Association of Geoscientists and Engineers, EAGE
SubjectCalcite
Carbon dioxide
Carbon dioxide process
Density functional theory
Gas adsorption
Gases
Hydrogen bonds
Hydrogen sulfide
Methane
Physisorption
Sulfur compounds
Carbonate surfaces
Degree of complexity
Enhanced gas recoveries
Molecular characterization
Natural gas recoveries
Nitrogen adsorption
Quantitative estimates
Theoretical study
Reservoir management
TitleA theoretical study of gas adsorption on calcite for CO2 enhanced natural gas recovery
TypeConference Paper
dc.accessType Abstract Only


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