Theoretical studies of methane adsorption on Silica-Kaolinite interface for shale reservoir application
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.
Other Information
Published in: Applied Surface Science
License: http://creativecommons.org/licenses/by/4.0/
See article on publisher's website: https://dx.doi.org/10.1016/j.apsusc.2021.149164
Funding
Open Access funding provided by the Qatar National Library
History
Language
- English
Publisher
ElsevierPublication Year
- 2021
License statement
This Item is licensed under the Creative Commons Attribution 4.0 International LicenseInstitution affiliated with
- Qatar University
- College of Engineering - QU
- Gas Processing Center - QU