Heterogeneous Effect of Organic Matter on Accumulation Behaviors of Shale Gas in Water

Zhang, Jun; Zhang, Xie; Hao, Shaoqian; Li, Zheng; Ye, Jun; Kou, Jianlong

doi:10.1021/acs.energyfuels.1c03967

Cited by 3 publications

(2 citation statements)

References 70 publications

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“…The peak with the highest water density appears at a distance of 0.335 from the interface. It has been reported that the water molecules near the interface are ordered, allowing the interface to hold more water molecules than the bulk region . When an electric field is applied, there is a significant increase in the peak density of the water molecules, which means that the water molecules prefer to approach the interface under the action of the electric field.…”

Section: Resultsmentioning

confidence: 99%

Molecular Mechanisms of the Generation and Accumulation of Gas at the Interface

Zhao,

Ma,

Xie

et al. 2024

Langmuir

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Gas-evolving reactions are widespread in chemical and energy fields. However, the generated gas will accumulate at the interface, which reduces the rate of gas generation. Understanding the microscopic processes of the generation and accumulation of gas at the interface is crucial for improving the efficiency of gas generation. Here, we develop an algorithm to reproduce the process of catalytic gas generation at the molecular scale based on the all-atom molecular dynamics simulations and obtain the quantitative evolution of the gas generation, which agrees well with the experimental results. In addition, we demonstrate that under an external electric field, the generated gas molecules do not accumulate at the electrode surface, which implies that the electric field can significantly increase the rate of the gas generation. The results suggest that the external electric field changes the structure of the water molecules near the electrode surface, making it difficult for gas molecules to accumulate on the electrode surface. Furthermore, it is found that gas desorption from the electrode surface is an entropy-driven process, and its accumulation at the electrode surface depends mainly on the competition between the entropy and the enthalpy of the water molecules under the influence of the electric field. These results provide deep insight into gas generation and inhibition of gas accumulation.

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Section: Resultsmentioning

confidence: 99%

Molecular Mechanisms of the Generation and Accumulation of Gas at the Interface

Zhao,

Ma,

Xie

et al. 2024

Langmuir

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“…Competitive adsorption between CO 2 and CH 4 during carbon dioxide flooding refers to the preferential adsorption of either species by the adsorbent when the two gas components coexist in the reservoir . In shale gas reservoirs, CO 2 –CH 4 competitive adsorption is affected by various factors related to CO 2 injection conditions, geological conditions, and shale matrix compositions. , Such factors may include the total organic carbon content (TOC), kerogen type, inorganic minerals, pore structure, thermal maturity, CO 2 -shale affinity, the molecular structure of the gas, and oxygen-containing functional groups . Hydraulic fracturing leads to shale gas pore-scale transport to a multiphase and multiphysical process.…”

Section: Multiscale Flow Simulationmentioning

confidence: 99%

Recent Advances in Multiscale Digital Rock Reconstruction, Flow Simulation, and Experiments during Shale Gas Production

Yang

Zhang

et al. 2023

Energy Fuels

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The complex and multiscale nature of shale gas transport imposes new challenges to the already well-developed techniques for conventional reservoirs, especially digital core analysis. Multiscale complicated pore systems and distinctive properties limit most reconstruction methods not applicable. High-precision imaging experiments play a key role in the characterization of pore structures and mineral components. While the exhilarating breakthroughs in physical experimental methods and hybrid superposition methods have made significant achievements in shale digital rock reconstruction, rapidly evolving deep learning methods also present a promising option. Benefiting from the digital rock techniques, the pore-scale flow of shale gas can be directly simulated based on digital rock or indirectly modeled using the pore network model. It is precise and realistic to investigate the shale gas flow at the pore scale considering the desorption, surface diffusion, and slippage in nanopores. In this paper, we reviewed the recent advances in off-mentioned methods and processes and presented a hand for the research in this field.

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Infiltration characteristics of nanochannels composed of graphene sheets in different directions

Wang¹,

Zhang²,

Hao³

et al. 2022

Acta Phys. Sin.

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The infiltration of water droplets in nanochannels is of great importance in microfluidics. In this paper, two types of graphene nanochannels with different wall structures are constructed based on the experimentally reported graphene structure, and the infiltration of water nanodroplet in the two nanochannels is investigated by performing all-atom molecular dynamics simulation. It is found that the two nanochannels with the same size composed of different graphene arrays exhibit completely different infiltration properties:water droplets cannot infiltrate into the multilayer stacked channels, but can wet the vertical array channels spontaneously and completely. By analyzing the structures of the two nanochannels, the novel phenomenon is mainly attributed to the different wettability between the inner and outer surface of the nanochannels. From the perspective of energy, the potential energy of water droplets in the multilayer stacked channels is higher than that outside the channels, while the potential energy of water droplets in the vertical array channels is lower than that outside the channels. Therefore, water droplets can spontaneously infiltrate into the latter ones. The van der Waals interaction between the droplet and the channels and the Coulomb interaction inside the droplet play a dominant role in the spontaneous infiltration of the water droplets, while the van der Waals interaction inside the droplet has little effect on the infiltration behavior. In addition, through a series of simulations of water droplets wetting the nanochannels with identical inner and outer surfaces, the wettability phase diagram of water droplets infiltration into nanochannels is established, which represents the general law of water droplet infiltration into nanochannels.

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Heterogeneous Effect of Organic Matter on Accumulation Behaviors of Shale Gas in Water

Cited by 3 publications

References 70 publications

Molecular Mechanisms of the Generation and Accumulation of Gas at the Interface

Molecular Mechanisms of the Generation and Accumulation of Gas at the Interface

Recent Advances in Multiscale Digital Rock Reconstruction, Flow Simulation, and Experiments during Shale Gas Production

Infiltration characteristics of nanochannels composed of graphene sheets in different directions

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