Molecular insights into competitive adsorption of CO<sub>2</sub>/CH<sub>4</sub> mixture in shale nanopores

Zhou, Wenning; Zhang, Zhe; Wang, Haobo; Yan, Yuying; Liu, Xunliang

doi:10.1039/c8ra07486k

Cited by 46 publications

(48 citation statements)

References 44 publications

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“…It can be observed that the comparison shows satisfactory agreement. Furthermore, the simulation results were also found to fit very well with the Langmuir equation, which is widely applied to describe gas adsorption behavior in shale formations [32,52]. It should be noted that, in addition to temperature and pressure conditions, the adsorption behavior of CH 4 in kerogen is also affected by the maturity level and moisture content.…”

Section: Model Validationsupporting

confidence: 56%

“…In this work, we extended our previous studies on CO 2 /CH 4 competitive adsorption in graphene and kaolinite clay slit nanopores of shale reservoirs [32,41]. Firstly, different kerogen molecular models developed by Ungerer et al [45] were employed to construct a bulk kerogen matrix with different maturity levels.…”

Section: Introductionmentioning

confidence: 83%

“…It indicates the preferential adsorption of CO 2 over CH 4 in kerogen pores when S CO 2 /CH 4 > 1. For more detailed information regarding GCMC simulation, one can refer to our previous work [23,32,41].…”

Section: Gcmc Simulation Detailsmentioning

confidence: 99%

“…They found that there is a threshold of slit pore size under which 100% of CH 4 is in an adsorbed state without free gas in the confined nanopores. The effects of pressure, temperature, and moisture content on the competitive adsorption behavior of a CO 2 /CH 4 mixture were also examined in graphene slit nanopore [32][33][34][35]. Their results revealed that CO 2 molecules are preferentially adsorbed over CH 4 onto the surface of graphene nanopore.…”

Section: Introductionmentioning

confidence: 99%

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Molecular Investigation of CO2/CH4 Competitive Adsorption and Confinement in Realistic Shale Kerogen

et al. 2019

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The adsorption behavior and the mechanism of a CO2/CH4 mixture in shale organic matter play significant roles to predict the carbon dioxide sequestration with enhanced gas recovery (CS-EGR) in shale reservoirs. In the present work, the adsorption performance and the mechanism of a CO2/CH4 binary mixture in realistic shale kerogen were explored by employing grand canonical Monte Carlo (GCMC) and molecular dynamics (MD) simulations. Specifically, the effects of shale organic type and maturity, temperature, pressure, and moisture content on pure CH4 and the competitive adsorption performance of a CO2/CH4 mixture were investigated. It was found that pressure and temperature have a significant influence on both the adsorption capacity and the selectivity of CO2/CH4. The simulated results also show that the adsorption capacities of CO2/CH4 increase with the maturity level of kerogen. Type II-D kerogen exhibits an obvious superiority in the adsorption capacity of CH4 and CO2 compared with other type II kerogen. In addition, the adsorption capacities of CO2 and CH4 are significantly suppressed in moist kerogen due to the strong adsorption strength of H2O molecules on the kerogen surface. Furthermore, to characterize realistic kerogen pore structure, a slit-like kerogen nanopore was constructed. It was observed that the kerogen nanopore plays an important role in determining the potential of CO2 subsurface sequestration in shale reservoirs. With the increase in nanopore size, a transition of the dominated gas adsorption mechanism from micropore filling to monolayer adsorption on the surface due to confinement effects was found. The results obtained in this study could be helpful to estimate original gas-in-place and evaluate carbon dioxide sequestration capacity in a shale matrix.

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Section: Model Validationsupporting

confidence: 56%

Section: Introductionmentioning

confidence: 83%

Section: Gcmc Simulation Detailsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Molecular Investigation of CO2/CH4 Competitive Adsorption and Confinement in Realistic Shale Kerogen

et al. 2019

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“…4 The former is adsorbed on the surfaces of nanoconnements and the latter is stored in interconnected nanopore structures. [5][6][7] In the literature, many studies on gas adsorption and desorption in nanostructures, such as nanopores, carbon nanotubes and nanochannels, [8][9][10] have been conducted. Rexer et al 6 experimentally studied the adsorption of methane in an alum shale sample at various temperatures and pressures corresponding to the real geological conditions.…”

Section: Introductionmentioning

confidence: 99%

Effects of temperature and pore structure on the release of methane in zeolite nanochannels

Cheng

2019

RSC Adv.

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Applied techniques for residual oil recovery from source rocks: A review of current challenges and possible developments

Abdulkareem

Padmanabhan

2020

Can J Chem Eng

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Depleted fossil fuel resources have led to an investigation of other promising alternatives such as renewable and unconventional energy sources. Shale formations have limited permeability. Therefore, several extraction techniques have been applied to improve residual oil recovery and production. In this work, the techniques applied above ground to extract the organic fractions from oil/gas shale are discussed. Studies related to compositional fractionation, ultrasonic-assisted, microwave-assisted, supercritical fluids, and surface retorting techniques have been conducted systematically in approximately 150 scholarly articles over the past 10 years. The impacts of each technique as well as the drawbacks and challenges are highlighted in this paper. The fractionation techniques are sufficient in general; however, they are time consuming as they include several stages and use a considerable amount of solvents. Ultrasonic and microwave techniques are highly reliant on formation transparency linked to the organic fraction heterogeneous distribution. The surface retorting method, which is highly efficient with up to 90% recovery, for example, the Galoter and Paraho methods, is still dependent on shale particulate size, generates a massive amount of spent shale as waste, and is prominently emissive. Therefore, assessments that can be used to overcome existing drawbacks are considered. This can provide practical insight about these techniques to overcome limitations and concerns in terms of efficiency, cost, environmental issues, and reliability features. The work highlights the dominant extraction techniques for further development.

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Molecular insights into competitive adsorption of CO₂/CH₄ mixture in shale nanopores

Abstract: Competitive adsorption behaviour of CO2/CH4 mixture in shale slit nanopores under various geological conditions was explored by molecular simulations.

Cited by 46 publications

References 44 publications

Molecular Investigation of CO2/CH4 Competitive Adsorption and Confinement in Realistic Shale Kerogen

Molecular Investigation of CO2/CH4 Competitive Adsorption and Confinement in Realistic Shale Kerogen

Effects of temperature and pore structure on the release of methane in zeolite nanochannels

Applied techniques for residual oil recovery from source rocks: A review of current challenges and possible developments

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Molecular insights into competitive adsorption of CO2/CH4 mixture in shale nanopores

Abstract: Competitive adsorption behaviour of CO2/CH4 mixture in shale slit nanopores under various geological conditions was explored by molecular simulations.

Cited by 46 publications

References 44 publications

Molecular Investigation of CO2/CH4 Competitive Adsorption and Confinement in Realistic Shale Kerogen

Molecular Investigation of CO2/CH4 Competitive Adsorption and Confinement in Realistic Shale Kerogen

Effects of temperature and pore structure on the release of methane in zeolite nanochannels

Applied techniques for residual oil recovery from source rocks: A review of current challenges and possible developments

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Molecular insights into competitive adsorption of CO₂/CH₄ mixture in shale nanopores