利用GCMC分子模拟技术研究页岩气的吸附行为和机理

卢双舫; 沈博健; 许晨曦; 陈国辉; 刘可禹; 薛庆忠; 方志雄; 何希鹏

doi:10.3799/dqkx.2018.430

Volume 43 Issue 5

May 2018

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Article Navigation > Earth Science > 2018 > 43(5): 1783-1791

Lu Shuangfang, Shen Bojian, Xu Chenxi, Chen Guohui, Liu Keyu, Xue Qingzhong, Fang Zhixiong, He Xipeng, 2018. Study on Adsorption Behavior and Mechanism of Shale Gas by Using GCMC Molecular Simulation. Earth Science, 43(5): 1783-1791. doi: 10.3799/dqkx.2018.430

Citation:

Lu Shuangfang, Shen Bojian, Xu Chenxi, Chen Guohui, Liu Keyu, Xue Qingzhong, Fang Zhixiong, He Xipeng, 2018. Study on Adsorption Behavior and Mechanism of Shale Gas by Using GCMC Molecular Simulation. Earth Science, 43(5): 1783-1791. doi: 10.3799/dqkx.2018.430

Citation:

Lu Shuangfang, Shen Bojian, Xu Chenxi, Chen Guohui, Liu Keyu, Xue Qingzhong, Fang Zhixiong, He Xipeng, 2018. Study on Adsorption Behavior and Mechanism of Shale Gas by Using GCMC Molecular Simulation. Earth Science, 43(5): 1783-1791. doi: 10.3799/dqkx.2018.430

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Study on Adsorption Behavior and Mechanism of Shale Gas by Using GCMC Molecular Simulation

doi: 10.3799/dqkx.2018.430

Lu Shuangfang^{1,2,4
,},
Shen Bojian^1,2,
Xu Chenxi^1,2,
Chen Guohui^{1,2
,
,},
Liu Keyu²,
Xue Qingzhong³,
Fang Zhixiong⁵,
He Xipeng⁵

1.
Research Institute of Unconventional Petroleum and Renewable Energy, China University of Petroleum, Qingdao 266580, China
2.
School of Geosciences, China University of Petroleum, Qingdao 266580, China
3.
State Key Laboratory of Heavy Oil Processing, China University of Petroleum, Qingdao 266580, China
4.
Shaanxi Province Key Laboratory of Lacustrine Shale Gas Accumulation and Development, Xi'an 710000, China
5.
East China Oil & Gas Company, SINOPEC, Nanjing 210000, China

Received Date: 2017-08-04
Publish Date: 2018-05-15

Abstract

Abstract

The mechanism of shale gas adsorption is the theoretical foundation for elucidating the adsorption and transformation conditions, and establishing a universal quantitative evaluation model. The adsorption behavior of CH₄ and CO₂ in illite slit pores with different sizes under various temperature and pressure conditions was simulated by GCMC (Grand Canonical Monte Carlo) method. It is found that adsorption capacities obtained from both molecular simulation and experiments have the same connotations and are comparable when being normalized to the surface area, under which conditions the molecular simulation results are consistent with the experimental measurements. In this way, the basis for the study of adsorption behavior and mechanism of shale gas is established by molecular simulation:the internal cause (mechanism) of gas adsorption on the mineral surface is van der Waals force and Coulomb force in gas-solid molecules, the larger adsorption capacity of CO₂ than CH₄ on the surface of the illite is the reflection of a higher binding energy; the adsorption of CH₄ and CO₂ on the illite is not rigorous monolayer-adsorption, but a strong adsorption layer mainly; the adsorption phase density will overlap when pore size reduced to micropore, and microporous filling is thus formed, which is also a result from the superposition of their binding energy.
- molecular simulation,
- Grand Canonical Monte Carlo,
- shale gas,
- adsorption mechanism,
- unconventional oil and gas,
- petroleum geology

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References(44)

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Study on Adsorption Behavior and Mechanism of Shale Gas by Using GCMC Molecular Simulation

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