Quantification of CH4 adsorption capacity in kerogen-rich reservoir shales: An experimental investigation and molecular dynamic simulation

Ju, Yang; He, Jian; Chang, Elliot; Zheng, Liange

doi:10.1016/j.energy.2018.12.087

Cited by 62 publications

(35 citation statements)

References 58 publications

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“…In order to describe and analyze the sorption phenomenon, a number of isothermal models such as Langmuir, Freundlich, Brunauer-Emmett-Teller (BET), Guggenheim-Anderson-de Boer (GAB), and Frenkel-Halsey-Hill (FHH) models have been proposed over the years [29][30][31] . These mathematical models are usually used for describing and predicting the isothermal adsorption process, including adsorption equilibrium and isotherm parameters.…”

Section: Isothermal Adsorption Modelmentioning

confidence: 99%

“…The model of adsorption isotherms is a useful approach to describe the equilibrium phenomenon between the adsorbed amount and the pressure of the adsorbate at a constant temperature, which provided the valuable information on pore structure and capacity in porous materials 26 – 28 . In order to describe and analyze the sorption phenomenon, a number of isothermal models such as Langmuir, Freundlich, Brunauer–Emmett–Teller (BET), Guggenheim-Anderson-de Boer (GAB), and Frenkel-Halsey-Hill (FHH) models have been proposed over the years 29 – 31 . These mathematical models are usually used for describing and predicting the isothermal adsorption process, including adsorption equilibrium and isotherm parameters.…”

Section: Isothermal Adsorption Modelmentioning

confidence: 99%

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Experimental investigation on water adsorption and desorption isotherms of the Longmaxi shale in the Sichuan Basin, China

Shen

et al. 2020

Sci Rep

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the understanding of water adsorption and desorption behavior in the shale rocks is of great significance in the reserve estimation, wellbore stability and hydrocarbon extraction in the shale gas reservoirs. However, the water sorption behavior in the shales remains unclear. In this study, water vapor adsorption/desorption isotherms of the Longmaxi shale in the Sichuan Basin, china were conducted at various temperatures (30 °C, 60 °C) and a relative pressure up to 0.97 to understand the water sorption behavior. Then the effects of temperature and shale properties were analyzed, and the water adsorption, hysteresis, saturation and capillary pressure were discussed. The results indicate that water adsorption isotherms of the Longmaxi shale exhibit the type II characteristics. The water molecules initially adsorb on the shale particle/pore surfaces at low relative pressure while the capillary condensation dominates at high relative pressure. Temperature favors the water sorption in the shales at high relative pressure, and the GAB isotherm model is found to be suitable for describe the water adsorption/desorption behavior. The high organic carbon and full bedding are beneficial to water adsorption in the shales while the calcite inhibits the behavior. There exists the hysteresis between water adsorption and desorption at the whole relative pressure, which suggests that the depletion of condensed water from smaller capillary pores is more difficult than that from larger pores, and the chemical interaction contributes to the hysteresis loop for water sorption. The capillary pressure in the shales can be up to the order of several hundreds of Mpa, and thus the desorption of water from the shales may not be as easy as the water adsorption due to the high capillary pressure, which results in water retention behavior in the shale gas reservoirs. these results can provide insights into a better understanding of water sorption behavior in the shale so as to optimize extraction conditions and predict gas productivity in the shale gas reservoirs.

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Section: Isothermal Adsorption Modelmentioning

confidence: 99%

Section: Isothermal Adsorption Modelmentioning

confidence: 99%

Experimental investigation on water adsorption and desorption isotherms of the Longmaxi shale in the Sichuan Basin, China

Shen

et al. 2020

Sci Rep

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“…In addition to experimental studies, molecular simulation is considered as an effective tool to gain microscopic insights into complex physical phenomena or processes in many research areas [20][21][22][23][24]. The adsorption behaviors in nanopores of shale reservoirs were investigated via molecular simulation by many researchers [25][26][27][28]. The effects of temperature, pressure, and pore size on the adsorption performance of pure methane and a CO 2 /CH 4 mixture in the slit pore of shale formations were examined.…”

Section: Introductionmentioning

confidence: 99%

“…Their results revealed that CO 2 molecules are preferentially adsorbed over CH 4 onto the surface of graphene nanopore. In addition to the graphene slit model, other carbon-based models, such as carbon nanotubes, triangular pores, and square pores were constructed to represent different shapes of nanopores in shale organic matter [26,[36][37][38]. In order to take account the into maturation level of organic matter, different types of functional groups were constructed on the graphene surface [39,40].…”

Section: Introductionmentioning

confidence: 99%

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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“…Exploring the unconventional gas is a promising method to alleviate the serious energy crisis [1]. With the properties of wide distribution, large quantity and low pollution, shale gas as one kind of unconventional energy resource attracts more and more attention in recent years [2][3][4][5][6][7][8]. Most of shale gas adsorbs on the wall of pores in shale [9], especially pores at nanoscale [10][11][12].…”

Section: Introductionmentioning

confidence: 99%

Gases of driving methane out of a carbon nanotube

Meng

Shen

2020

J. Phys. Commun.

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Methane is a kind of clean energy resource. Driving methane molecules out of a nanochannel efficiently is helpful to increase mining efficiency. Injecting other gas molecules is an ideal method to increase methane production. By molecular dynamics simulation, we take the adsorption behaviors of methane (CH 4 ) and nitrogen (N 2 ) mixture in a carbon nanotube for example. Compared with nitrogen (N 2 ), methane (CH 4 ) obtains an advantage on adsorption in a carbon nanotube when methane concentration changes from 0.1 to 0.9. By changing the parameters of ε and σ, we find two parameters can regulate the adsorption behaviors of methane in a carbon nanotube. The probability of driving CH 4 molecules out of a carbon nanotube increases with increasing the parameter of ε at the same σ, while the probability of driving CH 4 out of a carbon nanotube increases at first and then decreases with increasing σ at the same ε. We expect the results could guide the process of methane production efficiently in a physical view.

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Quantification of CH4 adsorption capacity in kerogen-rich reservoir shales: An experimental investigation and molecular dynamic simulation

Cited by 62 publications

References 58 publications

Experimental investigation on water adsorption and desorption isotherms of the Longmaxi shale in the Sichuan Basin, China

Experimental investigation on water adsorption and desorption isotherms of the Longmaxi shale in the Sichuan Basin, China

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

Gases of driving methane out of a carbon nanotube

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