Recent advances in molecular simulation of oil shale kerogen
文献类型：期刊论文
| 作者 | Zhang, Hanyu1,2; Ahmed, Menatalla2; Zhan, Jin-Hui1 |
| 刊名 | FUEL
 |
| 出版日期 | 2022-05-15 |
| 卷号 | 316页码:15 |
| 关键词 | Kerogen Molecular simulation Molecular structure Physical/chemical processes |
| ISSN号 | 0016-2361 |
| DOI | 10.1016/j.fuel.2022.123392 |
| 英文摘要 | ABS 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. |
| WOS关键词 | REACTIVE FORCE-FIELD ; DYNAMICS SIMULATION ; METHANE ADSORPTION ; THERMODYNAMIC PROPERTIES ; MACROMOLECULAR STRUCTURE ; GAS-ADSORPTION ; PORE STRUCTURE ; ORGANIC TYPE ; II KEROGEN ; C-13 NMR |
| 资助项目 | National Natural Science Foundation of China[21875255] ; China Scholarship Council (CSC)[201806430026] |
| WOS研究方向 | Energy & Fuels ; Engineering |
| 语种 | 英语 |
| WOS记录号 | WOS:000783215500003 |
| 出版者 | ELSEVIER SCI LTD |
| 资助机构 | National Natural Science Foundation of China ; China Scholarship Council (CSC) |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/52919]  |
| 专题 | 中国科学院过程工程研究所 |
| 通讯作者 | Zhan, Jin-Hui |
| 作者单位 | 1.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 |
| 推荐引用方式 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. |
入库方式： OAI收割
来源：过程工程研究所
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