期刊
RENEWABLE & SUSTAINABLE ENERGY REVIEWS
卷 149, 期 -, 页码 -出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.rser.2021.111391
关键词
Shale gas; Molecular simulation; Adsorption; Monte Carlo; Molecular dynamic
资金
- National Natural Science Foundation of China [51821092, 51674275, 41961144026, 52004239]
- China Scholarship Council [201906440158]
- Foundation of State Key Laboratory of Petroleum Resources and Prospecting, China University of Petroleum, Beijing [PRP/open2003]
This article provides an overview of the adsorption mechanism of shale gas and the importance of molecular simulation, emphasizing the crucial role of accurate description of shale compositions and structures for simulation.
Shale gas is a promising alternative energy due to the advantages of large reserves and high energy efficiency. The amount of adsorbed gas in shale nanopores is a significant reason that shale gas maintains long-term stable production. Molecular simulation is an important tool for analyzing the adsorption mechanisms and understanding the gas adsorption behavior on shales at the microscopic level intuitively and accurately. In this review, we briefly summarize the molecular models of shale inorganic minerals, organic matter and composite shale models with organic and inorganic regions. We also provide a comprehensive overview of shale gas adsorption and analyze in detail its microscopic mechanism on these molecular models. Finally, we discuss the existing challenges and perspectives to promote the future development of shale gas production. An accurate description of shale compositions and structures, as well as adsorbates, is crucial for molecular simulation of shale gas adsorption.
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