Effect of surface roughness on methane adsorption in shale organic nanopores from the perspective of molecular simulations

Zhan, Shiyuan; Bao, Junyao; Ning, Shaofeng; Zhang, Mingshan; Wu, Jing; Wang, Xiaoguang; Li, Yonghui

doi:10.1016/j.cej.2024.155322

Chemical Engineering Journal

2024

DOI: 10.1016/j.cej.2024.155322

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Effect of surface roughness on methane adsorption in shale organic nanopores from the perspective of molecular simulations

Shiyuan Zhan,

Junyao Bao,

Shaofeng Ning

et al.

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2024

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Cited by 3 publications

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Low-carbon and high-efficiency nanosheet-enhanced CO2 huff-n-puff (HnP) for heavy oil recovery

Zhao,

Peng,

et al. 2024

Chemical Engineering Journal

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Low-carbon and high-efficiency nanosheet-enhanced CO2 huff-n-puff (HnP) for heavy oil recovery

Zhao,

Peng,

et al. 2024

Chemical Engineering Journal

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Electric Field Control of CO₂ Distribution in Kerogen Slit of Depleted Shale Gas Reservoirs: Implications for CO₂ Sequestration

Zhang,

Huang,

et al. 2024

Energy Fuels

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Finding effective methods to enhance the sequestration of CO 2 in depleted shale is always a concern for carbon neutrality. It is found that an electric field can strengthen CO 2 adsorption in the electrochemistry field. Considering the oilfield site has plenty of green electricity induced by solar, wind, and photovoltaic power generation, applying an electric field to improve CO 2 sequestration appears to be a viable idea. However, the performance of the electric field on the CO 2 distribution in the kerogen slit of shale remains unclear. This paper employs molecular dynamics (MD) simulation to address this issue. Moreover, the factors of electric field strengths, electric field directions, and sizes of the kerogen slit on the distribution of CO 2 near the kerogen wall are also explored. The results show that a Z-direction electric field aligns CO 2 molecules in a style where the oxygen (O) from the CO 2 molecule faces the carbon (C) from the kerogen wall, enhancing the accumulation of CO 2 molecules near the wall of the kerogen slit in depleted shale. Notably, there exists an optimal electric field strength. Specifically, a 0.5 V/Å electric field can enhance the accumulation of CO 2 molecules near the kerogen wall by 9.45%. The Z-direction electric field has a more significant effect compared to the X and Y directions. Moreover, the increased size of the kerogen slits can cause more CO 2 molecules to accumulate near the kerogen wall. The obtained results indicate that the electric field can be a promising technology for strengthening CO 2 sequestration in depleted shale. This insight can guide the application of electric field technology for enhancing the sequestration of CO 2 in depleted reservoirs.

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Effect of three-dimensional surface roughness on CH4 adsorption and diffusion in coal nanopores

Wang,

Du,

Guang

et al. 2024

Physics of Fluids

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Coalbed methane has garnered increased attention from researchers due to its potential for efficient development and utilization. In this study, the roughness data of coalbed pore surfaces were first obtained using atomic force microscopy tests. A novel method for constructing three-dimensional rough surfaces was proposed by combining these data with molecular simulation technology. Consequently, a more realistic three-dimensional coalbed surface roughness model was built, and the influence of surface roughness on CH4 adsorption and diffusion was explored. The results show that the CH4 adsorption configuration on coalbed nanopore surfaces is closely related to surface roughness. The grooves formed by the rough surface provide more adsorption space for CH4 storage. CH4 preferentially adsorbs in these grooves, forming intermittent adsorption layers. The adsorption capacity of the coal matrix slit nanopore system with rough surface is as follows: the groove part of the groove space > the surface part of the groove space > the convex surface part of the coal matrix > the convex part of the groove space > the middle part of the slit nanopore. CH4 average adsorption density increases with greater surface roughness and smaller pore size. Pore size is the main factor controlling CH4 diffusion; larger pores promote diffusion, while increased surface roughness hinders diffusion. Differences in CH4 diffusion coefficients due to surface roughness tend to equalize under high pressure. The analysis of the potential energy and average heat of adsorption indicates that CH4 adsorption is more stable under conditions of rough surfaces, small pore sizes, and high pressure.

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Effect of surface roughness on methane adsorption in shale organic nanopores from the perspective of molecular simulations

Cited by 3 publications

References 102 publications

Low-carbon and high-efficiency nanosheet-enhanced CO2 huff-n-puff (HnP) for heavy oil recovery

Low-carbon and high-efficiency nanosheet-enhanced CO2 huff-n-puff (HnP) for heavy oil recovery

Electric Field Control of CO₂ Distribution in Kerogen Slit of Depleted Shale Gas Reservoirs: Implications for CO₂ Sequestration

Effect of three-dimensional surface roughness on CH4 adsorption and diffusion in coal nanopores

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Effect of surface roughness on methane adsorption in shale organic nanopores from the perspective of molecular simulations

Cited by 3 publications

References 102 publications

Low-carbon and high-efficiency nanosheet-enhanced CO2 huff-n-puff (HnP) for heavy oil recovery

Low-carbon and high-efficiency nanosheet-enhanced CO2 huff-n-puff (HnP) for heavy oil recovery

Electric Field Control of CO2 Distribution in Kerogen Slit of Depleted Shale Gas Reservoirs: Implications for CO2 Sequestration

Effect of three-dimensional surface roughness on CH4 adsorption and diffusion in coal nanopores

Contact Info

Product

Resources

About

Electric Field Control of CO₂ Distribution in Kerogen Slit of Depleted Shale Gas Reservoirs: Implications for CO₂ Sequestration