A multiscale approach for simulation of shale gas transport in organic nanopores

Yang, Xu; Zhou, Wenning; Liu, Xunliang; Yan, Yuying

doi:10.1016/j.energy.2020.118547

Cited by 42 publications

(20 citation statements)

References 58 publications

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“…This also implies the capacity of such approach to simulate multiscale transport of shale gas in micropores/nanopores. Using a similar strategy, Yang et al 268 considered the pore-size-dependent adsorption behavior in MD simulations and introduced various adsorption parameters in the LBM model to achieve the multiscale simulations; Li et al 269 investigated the pressure-dependent adsorption behavior in MD simulations and incorporated the MD results in generalized LBM simulations. Different from the direct modification of boundary conditions of the LBM model, some scholars introduced the MD-based analytical models to modify the simulation results of LBM.…”

Section: Pore-scale Simulationsmentioning

confidence: 99%

Transport of Shale Gas in Microporous/Nanoporous Media: Molecular to Pore-Scale Simulations

Fan

et al. 2020

Energy Fuels

104

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As the typical unconventional reservoir, shale gas is believed to be the most promising alternative for the conventional resources in future energy patterns, attracting more and more attention throughout the world. Generally, the majority of shale gas is trapped within the tight shale rock with ultralow porosity (<10%) and ultrasmall pore size (as less as several nanometers). Thus, the accurate understanding of gas transport characteristic and its underlying mechanism through these microporous/nanoporous media is critical for the effective exploitation of shale reservoir. In this context, we present a comprehensive review on the current advances of multiscale transport simulations of shale gas in microporous/nanoporous media from molecular to pore-scale. For the gas transport in shale nanopores using molecular dynamics (MD) simulations, the structure and force parameters of various nanopore models, including organic models (graphene, carbon nanotubes, and kerogen) and inorganic models (clays, carbonate, and quartz), and flow simulation strategies (such as nonequilibrium molecular dynamics (NEMD) and Grand Canonical Monte Carlo simulations) are systematically introduced and clarified. The significant MD simulation results about gas transport characteristic in shale nanopores then are elaborated respectively for different factors, including pore size, ambient pressure, nanopore type, atomistic roughness, and pore structure, as well as multicomponent. Besides, the two-phase transport characteristic of gas and water is also discussed, considering the ubiquity of water in shale formation. For the lattice Boltzmann method (LBM) and pore network model (PNM) approaches to conduct pore-scale simulations, we briefly review its origins, modifications, and applications for gas transport simulations in a microporous/nanoporous shale matrix. Particularly, the upscaling methods to incorporate MD simulation into LBM and PNM frameworks are emphatically expounded in the light of recent attempts of MD-based pore-scale simulations. It is hoped that this Review would be helpful for the readers to build a systematical overview on the transport characteristic of shale gas in microporous/nanoporous media and subsequently accelerate the development of the shale industry.

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Section: Pore-scale Simulationsmentioning

confidence: 99%

Transport of Shale Gas in Microporous/Nanoporous Media: Molecular to Pore-Scale Simulations

Fan

et al. 2020

Energy Fuels

104

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“…The temperature conduction have an important influence on adsorption mechanism, Bai et al (2022) used the smoothed particle hydrodynamics (SPH) method to simulate the heat transfer process in porous media at the pore scale. Yang et al (2020) research shows that the gas apparent permeability in organic nanopore is enhanced with the increment of temperature.…”

Section: Figure 10mentioning

confidence: 89%

“…The surface diffusion of adsorbed gas on the solid wall is driven by the chemical potential gradient. Yang et al (2020) studied the effect of surface diffusion of nanoporous gas on apparent permeability by combining molecular simulation and LBM simulation. The results showed that the contribution of gas surface diffusion to permeability decreased with increasing pressure and pore size.…”

Section: Figure 10mentioning

confidence: 99%

Research on the gas migration trend and mechanism of the transition flow regime in coal based on MRT-LBM simulation

Liu

Jia²,

Han³

et al. 2022

Front. Earth Sci.

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In order to reveal the process and mechanism of gas flow in a low-permeability coal seam, a new multiple-relaxation-time lattice Boltzmann method (MRT-LBM) model of gas migration in coal micro/nanopores based on Langmuir monolayer adsorption theory, the slip boundary scheme and Bosanquet effective viscosity was established. The software MATLAB was used to carry out the simulation study of uniform pore gas flow based on the MRT-LBM model, and the results were compared and verified with the porous anodic alumina membrane gas flow experimental results. On this basis, the gas flow in coal pores with different micro/nanopore sizes considering adsorption was simulated. The results show that the dimensionless permeability coefficient increases with decreasing pore size under the same pressure, which reflects the subsequent enhancement of the microboundary constraint effect and reveals that the pore system becomes the main controlling factor of coal seam permeability within the coal matrix in the middle and late stages of coal seam gas extraction, while the role of the microboundary constraint effect needs to be considered. The gas adsorption layer weakens the pore gas flow capacity, but for pores with a radius greater than 16 nm, the apparent change in permeability caused by the adsorption layer is less than 5%, and the adsorption effect can be ignored. N2, CH4, and CO2 enter the transition flow regime under different pressure conditions; with gas extraction, the gas pressure decreases, and the difference in the gas flow characteristics of the three gases increases.

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“…Liu and his co-workers applied a mesoscale lattice Boltzmann method to study the gas transport characteristics in shale nanopores . In our previous studies, by developing a multiscale model, the gas transport behaviors considering the microscale gas adsorption properties in shale nanopores and the nanoporous matrix were investigated. , The results indicated that the surface diffusion of adsorbed gas has a significant contribution (>70%) to the overall gas apparent permeability in small nanopores and low pressure. Huang et al applied kinetic theory and machine learning algorithms to predict methane adsorption profiles .…”

Section: Introductionmentioning

confidence: 99%

Transport Diffusion Behaviors and Mechanisms of CO₂/CH₄ in Shale Nanopores: Insights from Molecular Dynamics Simulations

et al. 2022

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The understanding of gas adsorption and transport behaviors in nanoscaled pores plays a critical role in evaluating unconventional gas exploitation from tight gas reservoirs. In the present work, the transport diffusion mechanisms and behaviors of a CO 2 /CH 4 mixture in shale inorganic and organic nanopores are explored by employing grand canonical Monte Carlo (GCMC) and molecular dynamics (MD) simulations. Kaolinite and kerogen slit nanopores are first constructed to represent the inorganic and organic nanopores of the shale matrix. Then, the effects of temperature, pressure, and pore size on the adsorption and diffusion characteristics of CO 2 /CH 4 are examined. The diffusion trajectories clearly show different diffusion mechanisms for gas molecules near the surface and middle area of the pore. Both surface diffusion and Knudsen diffusion have been observed for CO 2 /CH 4 diffusion in shale nanopores. The surface diffusion of CH 4 has been found weakened with the presence of CO 2 . Simulation results indicate that the conditions of higher temperature and lower pressure are beneficial to the efficiency of CH 4 diffusion. With the increasing pore size, the impact of surface diffusion on gas transport gradually weakens, leading to the stronger diffusion of CH 4 over CO 2 in shale nanopores. The obtained results could provide insights into the diffusion mechanism of CO 2 /CH 4 in shale nanopores and offer fundamental data for CO 2 sequestration with enhanced gas recovery (CS-EGR) in shale reservoirs.

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A multiscale approach for simulation of shale gas transport in organic nanopores

Cited by 42 publications

References 58 publications

Transport of Shale Gas in Microporous/Nanoporous Media: Molecular to Pore-Scale Simulations

Transport of Shale Gas in Microporous/Nanoporous Media: Molecular to Pore-Scale Simulations

Research on the gas migration trend and mechanism of the transition flow regime in coal based on MRT-LBM simulation

Transport Diffusion Behaviors and Mechanisms of CO₂/CH₄ in Shale Nanopores: Insights from Molecular Dynamics Simulations

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A multiscale approach for simulation of shale gas transport in organic nanopores

Cited by 42 publications

References 58 publications

Transport of Shale Gas in Microporous/Nanoporous Media: Molecular to Pore-Scale Simulations

Transport of Shale Gas in Microporous/Nanoporous Media: Molecular to Pore-Scale Simulations

Research on the gas migration trend and mechanism of the transition flow regime in coal based on MRT-LBM simulation

Transport Diffusion Behaviors and Mechanisms of CO2/CH4 in Shale Nanopores: Insights from Molecular Dynamics Simulations

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Transport Diffusion Behaviors and Mechanisms of CO₂/CH₄ in Shale Nanopores: Insights from Molecular Dynamics Simulations