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Small-molecule gas sorption and diffusion in coal: Molecular simulation
文献类型：期刊论文
| 作者 | Fang, Zhiming1; Li, Xiaochun1 ; Hu, Haixiang1; Li, Qianshu2; Wei, Ning1
|
| 刊名 | ENERGY
 |
| 出版日期 | 2010 |
| 卷号 | 35期号:7页码:2939-2944 |
| 关键词 | Coal Sorption and diffusion Enhanced coalbed methane recovery Coalbed methane Molecular simulation |
| ISSN号 | 0360-5442 |
| DOI | 10.1016/j.energy.2010.03.028 |
| 英文摘要 | Injections of carbon dioxide (CO(2)) into unmineable coalbeds can both enhance coalbed methane recovery (ECBM), a high-efficiency energy, and realize underground storage of CO(2). In these processes, the diffusion and sorption of methane (CH(4)) and carbon dioxide are key dominant processes. In this study, the diffusion and sorption behavior of CH(4) and CO(2) in coal are investigated and compared based on molecular simulation. The calculated diffusion coefficient of CO(2) was in the order of 10(-9) m(2)/s, which is reasonably close to the experimental result. The sorption isotherms were obtained using the grand canonical Monte Carlo method. Coal tended to adsorb more CO(2) than CH(4) at a given temperature and pressure. The sorption heat of CO(2) was larger than that of CH(4) (7.9 and 5.8 kcal/mol respectively), accounting for the fact that the CH(4) adsorbed in the coal seam could be replaced by CO(2). This presents an alternative method for directly studying the interactions between coal macromolecule and small-molecule gases under various external environments. (C) 2010 Elsevier Ltd. All rights reserved. |
| WOS研究方向 | Thermodynamics ; Energy & Fuels |
| 语种 | 英语 |
| WOS记录号 | WOS:000279410500024 |
| 出版者 | PERGAMON-ELSEVIER SCIENCE LTD |
| 源URL | [http://119.78.100.198/handle/2S6PX9GI/3235]  |
| 专题 | 岩土力学所知识全产出_期刊论文 国家重点实验室知识产出_期刊论文 |
| 作者单位 | 1.Chinese Acad Sci, Inst Rock & Soil Mech, State Key Lab Geomech & Geotech Engn; 2.Beijing Inst Technol, Inst Chem Phys |
| 推荐引用方式 GB/T 7714 | Fang, Zhiming,Li, Xiaochun,Hu, Haixiang,et al. Small-molecule gas sorption and diffusion in coal: Molecular simulation[J]. ENERGY,2010,35(7):2939-2944. |
| APA | Fang, Zhiming,Li, Xiaochun,Hu, Haixiang,Li, Qianshu,&Wei, Ning.(2010).Small-molecule gas sorption and diffusion in coal: Molecular simulation.ENERGY,35(7),2939-2944. |
| MLA | Fang, Zhiming,et al."Small-molecule gas sorption and diffusion in coal: Molecular simulation".ENERGY 35.7(2010):2939-2944. |
入库方式： OAI收割
来源：武汉岩土力学研究所
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