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Recent advances in molecular simulation of oil shale kerogen
Zhang, Hanyu1,2; Ahmed, Menatalla2; Zhan, Jin-Hui1
2022-05-15
Source PublicationFUEL
ISSN0016-2361
Volume316Pages:15
AbstractABS T R A C T Kerogen is the most abundant source of natural organic matter in the world, and the research of kerogen to promote its utilization is of great significance to the development of unconventional fossil energy. Molecular simulation is a research method that is extremely suitable for investigating the detailed characteristics and physical/chemical processes of kerogen at atomic level. This work introduces some basic knowledge of molecular simulation that is useful in analyzing kerogen. We also review the molecular simulation studies of kerogen's structure, geological processes, interactions with minerals and shale gases, and pyrolysis. For each research application of molecular simulation on kerogen, directions for future research are proposed.
KeywordKerogen Molecular simulation Molecular structure Physical/chemical processes
DOI10.1016/j.fuel.2022.123392
Language英语
WOS KeywordREACTIVE FORCE-FIELD ; DYNAMICS SIMULATION ; METHANE ADSORPTION ; THERMODYNAMIC PROPERTIES ; MACROMOLECULAR STRUCTURE ; GAS-ADSORPTION ; PORE STRUCTURE ; ORGANIC TYPE ; II KEROGEN ; C-13 NMR
Funding ProjectNational Natural Science Foundation of China[21875255] ; China Scholarship Council (CSC)[201806430026]
WOS Research AreaEnergy & Fuels ; Engineering
WOS SubjectEnergy & Fuels ; Engineering, Chemical
Funding OrganizationNational Natural Science Foundation of China ; China Scholarship Council (CSC)
WOS IDWOS:000783215500003
PublisherELSEVIER SCI LTD
Citation statistics
Document Type期刊论文
Identifierhttp://ir.ipe.ac.cn/handle/122111/52920
Collection中国科学院过程工程研究所
Corresponding AuthorZhan, Jin-Hui
Affiliation1.Chinese Acad Sci, Inst Proc Engn, State Key Lab Multiphase Complex Syst, Beijing 100190, Peoples R China
2.Univ Alberta, Dept Chem & Mat Engn, Edmonton T6G 1H9, AB, Canada
Recommended Citation
GB/T 7714
Zhang, Hanyu,Ahmed, Menatalla,Zhan, Jin-Hui. Recent advances in molecular simulation of oil shale kerogen[J]. FUEL,2022,316:15.
APA Zhang, Hanyu,Ahmed, Menatalla,&Zhan, Jin-Hui.(2022).Recent advances in molecular simulation of oil shale kerogen.FUEL,316,15.
MLA Zhang, Hanyu,et al."Recent advances in molecular simulation of oil shale kerogen".FUEL 316(2022):15.
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