IMECH-IR  > 流固耦合系统力学重点实验室
Molecular dynamics investigation of conversion methods for excess adsorption amount of shale gas
Jiang WB(江文滨); Lin M(林缅)
Source PublicationJOURNAL OF NATURAL GAS SCIENCE AND ENGINEERING
2018
Volume49Pages:241-249
ISSN1875-5100
Abstract

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.

KeywordShale Gas Adsorbed-phase Density Excess Adsorption Absolute Adsorption Molecular Dynamics
DOI10.1016/j.jngse.2017.11.006
Indexed BySCI ; EI
Language英语
WOS IDWOS:000418516900020
WOS KeywordMETHANE ADSORPTION ; SIMULATION ; PORES ; TIGHT ; PERMEABILITY ; RESERVOIRS ; DIFFUSION ; TRANSPORT ; ROCKS
WOS Research AreaEnergy & Fuels ; Engineering
WOS SubjectEnergy & Fuels ; Engineering, Chemical
Funding OrganizationMajor 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)
Classification二类
Ranking1
Citation statistics
Cited Times:2[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://dspace.imech.ac.cn/handle/311007/72222
Collection流固耦合系统力学重点实验室
Recommended Citation
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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