Molecular dynamics investigation of conversion methods for excess adsorption amount of shale gas | |
Jiang WB(江文滨); Lin M(林缅) | |
发表期刊 | JOURNAL OF NATURAL GAS SCIENCE AND ENGINEERING |
2018 | |
卷号 | 49页码:241-249 |
ISSN | 1875-5100 |
摘要 | In investigations of shale gas found within shale formations, the conversion of the experimentally determined excess adsorption amount to the absolute amount is crucial to the interpretation of experimental adsorption data. In our study, the excess isotherms of a shale sample from the Longmaxi Formation in China are converted to absolute ones using existing methods. Keeping in mind that the results differ widely across methods and that the accuracies of these methods are poorly understood, we take a first step towards revealing and evaluating the possible discrepancies. We construct a molecular dynamics (MD) model considering methane adsorption in nanometer channels of different widths, and the model is able to calculate the excess and absolute adsorption amounts. Our simplified MD model is proved to be able to reproduce the excess adsorption isotherms of the shale sample through comparison with experimental data. We also evaluate existing conversion methods for calculation of the excess adsorption amount based on MD results. The methods that use predetermined adsorbedphase density values usually underestimate the absolute amount. Further, the modified Langmuir and Toth equation methods underestimate results under most conditions. The relative error is large at higher pressure, higher temperature, and in smaller channels, and it can be as large as 45%. Our study will serve to remind researchers about uncertainty of the results these methods, which can be useful in application. |
关键词 | Shale Gas Adsorbed-phase Density Excess Adsorption Absolute Adsorption Molecular Dynamics |
DOI | 10.1016/j.jngse.2017.11.006 |
收录类别 | SCI ; EI |
语种 | 英语 |
WOS记录号 | WOS:000418516900020 |
关键词[WOS] | METHANE ADSORPTION ; SIMULATION ; PORES ; TIGHT ; PERMEABILITY ; RESERVOIRS ; DIFFUSION ; TRANSPORT ; ROCKS |
WOS研究方向 | Energy & Fuels ; Engineering |
WOS类目 | Energy & Fuels ; Engineering, Chemical |
项目资助者 | Major National Science and Technology Special Program of China(2017ZX05037-001) ; National Program on Key Basic Research Project (973 Program)(2014CB239004) ; National Natural Science Foundation of China(41690132 ; Strategic Priority Research Program of the Chinese Academy of Sciences(XDB10020302) ; 41574129) |
论文分区 | 二类 |
力学所作者排名 | 1 |
引用统计 | |
文献类型 | 期刊论文 |
条目标识符 | http://dspace.imech.ac.cn/handle/311007/72222 |
专题 | 流固耦合系统力学重点实验室 |
推荐引用方式 GB/T 7714 | Jiang WB,Lin M. Molecular dynamics investigation of conversion methods for excess adsorption amount of shale gas[J]. JOURNAL OF NATURAL GAS SCIENCE AND ENGINEERING,2018,49:241-249. |
APA | 江文滨,&林缅.(2018).Molecular dynamics investigation of conversion methods for excess adsorption amount of shale gas.JOURNAL OF NATURAL GAS SCIENCE AND ENGINEERING,49,241-249. |
MLA | 江文滨,et al."Molecular dynamics investigation of conversion methods for excess adsorption amount of shale gas".JOURNAL OF NATURAL GAS SCIENCE AND ENGINEERING 49(2018):241-249. |
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