Pore-Scale Modeling and Simulation in Shale Gas Formations

Yang, Ning; Jin, Bikai; Liang, Yu; Qin, Guan

doi:10.1016/b978-0-12-816698-7.00011-5

Cited by 6 publications

(10 citation statements)

References 79 publications

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“…where H represents the distance between the centers of the carbon atoms on the surface, and σ c is the Lennard-Jones diameter of a carbon atom in graphite. 12 In this study, we consider the system as an inflexible nanoporous crystal and focus on adsorbents for separation processes. The nanopore volume is well-defined, and adsorption on the external surface is negligible in comparison.…”

Section: H Hmentioning

confidence: 99%

“…Classical Molecular Dynamics (MD) simulations and Grand Canonical Monte Carlo (GCMC) simulations have been conducted to model organic nanopores in shale reservoirs and investigate their effects on the adsorption, selectivity, and phase equilibria of pure methane and ethane as well as their mixtures under supercritical conditions. A slit pore made of graphite walls with multiple layers of graphene in each wall is used to represent the essential unit where fluid may be confined in shale reservoirs . The use of multilayer graphenes (MLGs) as walls in nanopores could be a common model for organic nanopores, and GCMC simulations have been performed in different studies, as presented in Table .…”

Section: Introductionmentioning

confidence: 99%

“…11 Graphene slit-shaped nanochannels have been widely utilized to represent organic matter nanopores and have appeared satisfactory results when analyzing the adsorption and desorption properties of shale gas. 12 Various studies have investigated shale gas adsorption/desorption on natural fractures and matrix particle surfaces 13 as well as the nanopore effects on heterogeneous organic−inorganic nanopores simultaneously and separately on organic 14 or inorganic nanopores. 15 Classical Molecular Dynamics (MD) simulations and Grand Canonical Monte Carlo (GCMC) simulations have been conducted to model organic nanopores in shale reservoirs and investigate their effects on the adsorption, selectivity, and phase equilibria of pure methane and ethane as well as their mixtures under supercritical conditions.…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Grand Canonical Monte Carlo Simulation Experiences of Methane and Ethane Adsorption Behaviors on Simplified Organic Shale Formed by Graphene Layering

Moradi,

Mahmoudi,

Sadeghzadeh

2023

Energy Fuels

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Methane and ethane gases are two major components in shale gas, and the adsorption isotherms are first measured to assess the relative adsorption capacity of organic and inorganic shale structures. In this comparative study, essentially using Monte Carlo and Grand Canonical Monte Carlo (MD+GCMC) simulations with the LAMMPS package, the adsorption behavior of pure methane and ethane in one-, two-, three-, and fourlayer graphene slit-shaped with apertures ranging from 1.0 to 4.0 nm, for pressures up to 1 MPa (1,10,20 and 30 MPa) and temperatures of 320 K, were examined. Consequently, the adsorption capacity in apertures less than 2 nm was found to be sensitive to the number of graphene layers in the wall of nanopores, and the probability of methane and ethane adsorption through graphene nanopores was related to the thickness of the graphene nanopores. The results of MD+GCMC simulations showed that methane and ethane adsorption in multilayer graphenes was most sensitive to the thickness of the graphene layer that constructs the walls of nanopores with various apertures (10, 20, 30, and 40 Å). The observed interaction potential energy and the density profile changes in the gas distributions revealed an increased adsorption of methane and ethane through monolayer graphene nanopores (Type-1) compared with that through two-layer (Type-2), three-layer (Type-3), and four-layer (Type-4) graphene nanopores. The research on the wall thickness of nanopores could help us to improve our understanding of the factors that affect the adsorption of gases in nanopores. This could lead to the development of new and improved methods for gas separation and membrane design. The investigation is a promising area of research with the potential to lead to a variety of new applications. Furthermore, this study will reveal the uncertainties of the provided results of molecular simulations, which can be useful in applications of molecular models in molecular simulations.

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Section: H Hmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Grand Canonical Monte Carlo Simulation Experiences of Methane and Ethane Adsorption Behaviors on Simplified Organic Shale Formed by Graphene Layering

Moradi,

Mahmoudi,

Sadeghzadeh

2023

Energy Fuels

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“…The detailed derivation of the effective radius for organic pores can be found in Appendix A. The gas compressibility factor Z is determined using the Peng–Robinson equation of state, 36 as explained in Appendix B.…”

Section: Apparent Permeability Modelmentioning

confidence: 99%

“…Here, the variation of real gas properties and their effects on shale apparent permeability are modeled using the Peng–Robinson equation of state 35 . This simple formulation offers a suitable alternative to the computationally expensive simulations, such as pore‐scale modeling 36 …”

Section: Introductionmentioning

confidence: 99%

A model for stress‐dependence of apparent permeability in nanopores of shale gas reservoirs

2020

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Predicting long‐term production from gas shale reservoirs is a challenging task due to changes in effective stress and permeability during gas production. Unlike coal, the variation of sorbing gas permeability with pore pressure in shale does not always feature a biphasic trend under a constant confining pressure. The present contribution demonstrates that the biphasic dependence of permeability on pore pressure depends on a number of physical and geometrical factors, each with a distinct impact on gas permeability. This includes pore size, adsorption isotherm, and the variation of gas viscosity with pore pressure. A single‐capillary model is proposed for the apparent permeability of real gas in shale. Results indicate that the biphasic relation between apparent permeability and pore pressure is prevalent when the sorbing gas flows in sufficiently small pores. In addition, the effects of sorption isotherm and internal resistance of nonideal gas to flow cannot be ignored.

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Pore-scale flow simulation of supercritical CO2 and oil flow for simultaneous CO2 geo-sequestration and enhanced oil recovery

Chowdhury

Rakesh

Medhi

et al. 2022

Environ Sci Pollut Res

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Pore-Scale Modeling and Simulation in Shale Gas Formations

Cited by 6 publications

References 79 publications

Grand Canonical Monte Carlo Simulation Experiences of Methane and Ethane Adsorption Behaviors on Simplified Organic Shale Formed by Graphene Layering

Grand Canonical Monte Carlo Simulation Experiences of Methane and Ethane Adsorption Behaviors on Simplified Organic Shale Formed by Graphene Layering

A model for stress‐dependence of apparent permeability in nanopores of shale gas reservoirs

Pore-scale flow simulation of supercritical CO2 and oil flow for simultaneous CO2 geo-sequestration and enhanced oil recovery

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