Theoretical studies of methane adsorption on Silica-Kaolinite interface for shale reservoir application
| Author | Onawole A.T. |
| Author | Nasser M.S. |
| Author | Hussein I.A. |
| Author | Al-Marri M.J. |
| Author | Aparicio S. |
| Available date | 2022-04-25T10:59:42Z |
| Publication Date | 2021 |
| Publication Name | Applied Surface Science |
| Resource | Scopus |
| Identifier | http://dx.doi.org/10.1016/j.apsusc.2021.149164 |
| Abstract | 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 transport in the pores at typical reservoir conditions. Shale, which is made up of clay and quartz-like material, is represented in this study by a combined silica-kaolinite surface. The simulations revealed that the interface is formed by a chemical bond between silicon to two oxygen atoms from the kaolinite surface. Physisorption is the mode of adsorption of methane irrespective of the position of the gas on the interface. However, methane has stronger adsorption on the kaolinite region than the silica region. |
| Sponsor | This work was supported by funding # NPRP12S-0130-190023 from Qatar National Research Fund. The Research Computing group at Texas A&M University at Qatar (funded by Qatar Foundation) provided the HPC facilities used in this work. Qatar University and the Gas Processing Center are acknowledged for their support. The outcomes attained herein are exclusively the responsibility of the authors. The publication of this article was funded by the Qatar National Library. |
| Language | en |
| Publisher | Elsevier B.V. |
| Subject | Density functional theory Kaolinite Methane Molecular dynamics Physisorption Silica Energy demands Methane adsorption Oxygen atom Reservoir conditions Theoretical study Phase interfaces |
| Type | Article |
| Volume Number | 546 |
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