Gas adsorption characteristics in deep marine shale gas reservoirs based on molecular simulation

Liang, Hongbin; Zhang, Liehui; Zhao, Yulong; Yang, Li; Hu, Haoran; Chen, Xuezhong

doi:10.3724/sp.j.1249.2021.06598

Cited by 3 publications

(2 citation statements)

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“…Fugacity is related to pressure by the fugacity coefficient, φ, as shown in eq 11. (11) There are a number of different models that can be used to find the fugacity at a certain pressure. One of the most common models is the Peng−Robinson Equation of State (EOS), 36 and the fugacity expression is shown below.…”

Section: Rationality Of the Molecular Modelmentioning

confidence: 99%

“…The expression of excess adsorption capacity under different pressures and the rationality of selecting critical parameters were studied and verified. Liang et al used MD simulations to construct a model that conforms to the adsorption mode of marine shale samples, and performed simulations to study the adsorption characteristics of CH 4 with FW under high-temperature and high-pressure conditions. Wang and Sun constructed three types of kerogen molecular models according to the molecular structure of shale kerogen and SEM experiments.…”

Section: Introductionmentioning

confidence: 99%

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Impacts and Mechanisms of Water on CH₄ Adsorption on Shale Minerals

Wang

Zhou

et al. 2023

Energy Fuels

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Formation water (FW) and fracturing fluid (FF) significantly affect the adsorption rules of CH4 on a shale surface. To clarify the impact rules and micromechanisms of FW and FF on CH4 adsorption, isothermal adsorption experiments of CH4 on different shale minerals with different equilibrium water were conducted. Then, the corresponding adsorption models were constructed by Grand Canonical Monte Carlo (GCMC) simulation to perform adsorption simulation after matching experiments. Finally, molecular dynamic (MD) simulation was carried out to study the micromechanisms of FW and FF affecting CH4 adsorption on different shale minerals. The results show that the adsorption capacity of organic matter to CH4 is much stronger than that of other minerals. Compared to dry conditions, the adsorption capacity of organic matter, smectite, illite, and total shale with FW (S w ≈ 15%) decreases to 65, 45, 70, and 55%, respectively. The impact of FF on CH4 adsorption capacity is more significant than FW. The adsorption capacity decreases to 45, 30, 50, and 45% for organic matter, smectite, illite, and total shale with FF (S w ≈ 15%), respectively. FW molecules inhibit CH4 adsorption by occupying adsorption sites on mineral surfaces. However, the HPAM in FF completely covers the mineral surface to compress adsorption space and hinder CH4 adsorption. Although water molecules in both FW and FF occupy part of the adsorption sites on organic matter, the left sites can still absorb large amounts of CH4. It provides theoretical guidance for the efficient development of shale gas.

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Section: Rationality Of the Molecular Modelmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%