Molecular insights into supercritical methane sorption and self-diffusion in monospecific and composite nanopores of deep shale

Lyu, Fangtao; Ning, Zhengfu; Yang, Shanshan; Mu, Zhongqi; Cheng, Zhi‐Lin; Wang, Zhipeng; Liu, Bei

doi:10.1016/j.molliq.2022.119263

Cited by 19 publications

(12 citation statements)

References 81 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…95,96 Recently, Lyu et al investigated the diffusion behavior of deep shale gas under high-temperature and high-pressure conditions and indicated that the self-diffusion coefficient of methane decreases with increasing pressure, and the roughness of the pore surface would squarely affect the diffusion of the gas. 97 3.2. Pore-Scale Simulation.…”

Section: Diffusion and Flowmentioning

confidence: 99%

“…For the diffusion of shale gas in inorganic matrix, the effects of temperature, pressure, and pore structure have been studied. − Yu et al investigated the effects of different pore structures on methane flow and revealed that the transport behavior of shale gas is determined by the competition between gas-wall interaction (gas diffusion) and gas–gas intermolecular interaction (viscous flow). They also observed that gas transport in organic nanopores shows the typical slip characteristics. , Subsequently, the diffusion behavior of shale gas in kerogen was investigated, and gas diffusion was found to be the main transport mechanism in kerogen containing micropores. , Sun et al performed simulations of methane flow in circular nanopores of kerogen using nonequilibrium molecular dynamics and found that reducing the pore size helps improve the adsorption capacity of nanopores for methane and that the driving pressure is the main factor affecting methane flow rate. , Recently, Lyu et al investigated the diffusion behavior of deep shale gas under high-temperature and high-pressure conditions and indicated that the self-diffusion coefficient of methane decreases with increasing pressure, and the roughness of the pore surface would squarely affect the diffusion of the gas …”

Section: Multiscale Flow Simulationmentioning

confidence: 99%

See 1 more Smart Citation

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

Yang

Zhang

et al. 2023

Energy Fuels

View full text Add to dashboard Cite

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.

show abstract

Section: Diffusion and Flowmentioning

confidence: 99%

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

View full text Add to dashboard Cite

show abstract

“…91 In the composite shale model developed by Lyu et al, as shown in Figure 19, montmorillonite was used to represent inorganic clay minerals, and kerogen was used to represent organic matter, both of which were treated as rigid materials. 107 It was found that the difference in methane adsorption between montmorillonite and kerogen was little in the smaller composite nanopores. 107 Lee et al constructed a composite shale model containing quartz and CNTs regions, in which CNTs and quartz were hydrophobic and hydrophilic, respectively.…”

Section: Composite Shale Models Withmentioning

confidence: 99%

“…107 It was found that the difference in methane adsorption between montmorillonite and kerogen was little in the smaller composite nanopores. 107 Lee et al constructed a composite shale model containing quartz and CNTs regions, in which CNTs and quartz were hydrophobic and hydrophilic, respectively. 106 shown in Figure 20.…”

Section: Composite Shale Models Withmentioning

confidence: 99%

A Review of Molecular Models for Gas Adsorption in Shale Nanopores and Experimental Characterization of Shale Properties

Zhang

Xin

et al. 2023

ACS Omega

View full text Add to dashboard Cite

Shale gas, as a promising alternative energy source, has received considerable attention because of its broad resource base and wide distribution. The establishment of shale models that can accurately describe the composition and structure of shale is essential to perform molecular simulations of gas adsorption in shale reservoirs. This Review provides an overview of shale models, which include organic matter models, inorganic mineral models, and composite shale models. Molecular simulations of gas adsorption performed on these models are also reviewed to provide a more comprehensive understanding of the behaviors and mechanisms of gas adsorption on shales. To accurately understand the gas adsorption behaviors in shale reservoirs, it is necessary to be aware of the pore structure characteristics of shale reservoirs. Thus, we also present experimental studies on shale microstructure analysis, including direct imaging methods and indirect measurements. The advantages, disadvantages, and applications of these methods are also well summarized. This Review is useful for understanding molecular models of gas adsorption in shales and provides guidance for selecting experimental characterization of shale structure and composition.

show abstract

“…Up to now, the molecular simulation has been applied in many research studies on sorption of shale gas. The density distribution of gas in the pore is used widely to identify the adsorbed layers; most results show that the adsorption of shale gas is approximately monolayer, but a weak second adsorbed layer exists. − The radial distribution function is applied to compare the affinities of different elements in the organic matter to methane. , In brief, the molecular simulation can give abundant information about the occurrence of shale gas.…”

Section: Introductionmentioning

confidence: 99%

Sorption of Deep Shale Gas on Minerals and Organic Matter from Molecular Simulation

Ning

Lyu

et al. 2022

Energy Fuels

Self Cite

View full text Add to dashboard Cite

Deep shale gas is one of the key targets of China's natural gas exploitation in the future. Abnormally high reservoir pressures cause an unclear occurrence state of shale gas. In this paper, molecular modeling techniques are first used to establish slit-pore models of illite, quartz, and kerogen with different widths. Monte Carlo and molecular dynamics methods are second applied to simulate the sorption of methane under the geological conditions of deep reservoirs. Then, the gas distributions in the pores and changes of energies in sorption are analyzed. The applicability of the Langmuir model is also verified. The results show that (1) shale gas is approximately adsorbed as strong monolayers in a pore; the density of the adsorbed gas in mesopores is not sensitive to the pore size; (2) the Langmuir equation is applicable for the sorption of shale gas over a wide range of pressures; the surface excesses and maximum adsorbed amounts for the mesopores follow the order of illite > quartz > kerogen, which results from the different actual surface areas depending on the roughness and holes on the surfaces; (3) in a mesopore, total gas energy reduces more in adsorption under higher pressure; van der Waals force dominates gas adsorption, while electrostatic force affects weakly; under high pressure, the total gas energy for kerogen matrix decreases less when pressure increases, which is related to the extremely dense absorbed gas and nonmonotonic variation of van der Waals force with the distance between molecules; the interactions between shale gas and different types of pores follow the order of kerogen matrix > kerogen mesopore > illite > quartz. This study clarifies the sorbing behaviors of deep shale gas as well as the applicability of the Langmuir model, which can be a reference for developing the deep shale gas.

show abstract

Molecular insights into supercritical methane sorption and self-diffusion in monospecific and composite nanopores of deep shale

Cited by 19 publications

References 81 publications

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

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

A Review of Molecular Models for Gas Adsorption in Shale Nanopores and Experimental Characterization of Shale Properties

Sorption of Deep Shale Gas on Minerals and Organic Matter from Molecular Simulation

Contact Info

Product

Resources

About