期刊
APPLIED SURFACE SCIENCE
卷 546, 期 -, 页码 -出版社
ELSEVIER
DOI: 10.1016/j.apsusc.2021.149164
关键词
Methane; DFT; Silica; Kaolinite; Interface; Shale
类别
资金
- Qatar National Research Fund [NPRP12S-0130-190023]
- Qatar University
- Gas Processing Center
- Qatar National Library
- Qatar Foundation
Shale gas, primarily methane, is currently being developed to meet global energy demands. Using Density Functional Theory (DFT) and Molecular Dynamics (MD) techniques, researchers studied methane transport in shale pores and found that methane predominantly undergoes physisorption on the interface, with stronger adsorption on the kaolinite region.
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.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据