Molecular Simulation of Adsorption in Deep Marine Shale Gas Reservoirs

Chang, Cheng; Zhang, Jian; Hu, Haoran; Zhang, Deliang; Zhao, Yulong

doi:10.3390/en15030944

Cited by 7 publications

(3 citation statements)

References 35 publications

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“…van der Waals force and adsorption distance between CH 4 and pore wall are affected by pore size, pore pressure, and water content. The adsorption capacity decreases with higher water content and lower pore pressure. − Moreover, multilayer adsorption is observed on the adsorption surface and consists of a main adsorption layer, secondary adsorption layer, and free layer, in which the self-diffusion coefficient of molecular CH 4 increases in turn. − Besides, in molecular simulation, smectite also had the highest adsorption capacity and intensity of CH 4 , higher than mixed I/S and Illite. − In mixed I/S, the CH 4 density on the side of smectite lamella is higher than that on Illite lamella, which also proves that the adsorption capacity of smectite is stronger than that of Illite, while the influence of adsorption lamella in mixed I/S on CH 4 adsorption density decreases with higher pressure. − In addition, the adsorption amount, strength, and isosteric heat of CH 4 increase with the decline in pore size. ,, …”

Section: Influence Of Clay Content On Ch4 Adsorption Capacity In a Sh...mentioning

confidence: 97%

Review of the Effect of Diagenetic Evolution of Shale Reservoir on the Pore Structure and Adsorption Capacity of Clay Minerals

et al. 2022

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This Review summarizes the diagenetic evolution of clay mineral structure and pores in shale gas reservoirs. In the early diagenetic stage and in period A of the middle diagenetic stage, the intergranular and intragranular pores of clay minerals were altered by mechanical and chemical compaction, and V L (Langmuir volume) shows a positive linear correlation with clay content. In period B of the middle diagenetic stage and late diagenetic stage, intergranular pores almost disappeared, clay adsorption capacity significantly decreased, and there was a lack of apparent correlation between V L and clay content. Experimental and molecular simulations of clay adsorption capacity in shale are limited due to several drawbacks. (i) Shale samples in different diagenetic stages were characterized by strong heterogeneity, which affected the reliability of the evolution results of clay adsorption capacity. (ii) The method of selecting clay-rich shale samples, extracting clay minerals from shale, or applying pure clay minerals ignored the difference of diagenetic background, the damage of pores and structure of clay minerals, or the support of brittle minerals to shale pore system. (iii) Molecular simulation mostly employed a simplified plate model or single clay mineral model, which oversimplified the structure and diversity of clay minerals in real shale gas reservoirs. Therefore, innovative experimental simulations on the effect of diagenetic evolution on pore structure and adsorption capacity of clay minerals are necessary, which need to comprehensively weigh the combined effect of time and space on the reservoir diagenetic evolution. Besides, the visualization of shale structure, adsorption process, and CH 4 adsorption behavior of the shale constituents may help our understanding. Furthermore, a more accurate model of the molecular structure of clay minerals is indispensable, especially the dynamic evolution model with different water contents.

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Section: Influence Of Clay Content On Ch4 Adsorption Capacity In a Sh...mentioning

confidence: 97%

Review of the Effect of Diagenetic Evolution of Shale Reservoir on the Pore Structure and Adsorption Capacity of Clay Minerals

et al. 2022

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“…Using a similar approach, Tesson et al have also proposed such models of kerogen slit mesopores to study the impact of the microporous walls on the adsorption in the mesoporosity (Figure a). In parallel, beyond the simple slit geometry, other authors have prepared kerogen bimodal structures by creating, within a kerogen model, pores of different shapes (cylindrical or square hole for instance). ,, Such models were used to probe the impact of confinement on gas adsorption as it is known to vary drastically with pore shape/size. Finally, Michalec and Lisal proposed a refined strategy to produce such multimodal kerogen models and investigate the confinement of pure methane and a mixture of 82% of methane, 12% of ethane, and 6% of propane in kerogen.…”

Section: Fluid Thermodynamics and Transport In Kerogenmentioning

confidence: 99%

Development of Atomistic Kerogen Models and Their Applications for Gas Adsorption and Diffusion: A Mini-Review

et al. 2023

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With the emergence of shale gas, numerous atomic-scale models of kerogen have been proposed in the literature. These models, which attempt to capture the structure, chemistry, and porosity of kerogens of various types and maturities, are nowadays commonlyif not routinelyused to gain nanoscale insights into the thermodynamics and dynamics of complex and important processes such as hydrocarbon recovery and carbon sequestration. However, modeling such a complex, disordered, and heterogeneous material is a particularly challenging task. It implies that important underlying assumptions and simplifications, which can significantly affect the predicted properties, have to be made when constructing the kerogen models. In this mini review, we discuss the existing atomistic models of kerogen by categorizing them according to the different approaches and assumptions used during their construction. For each type of model, we also describe how the construction strategy can impact the prediction of certain properties. Important work on kerogen interactions with gas and oil, from both the point of view of equilibrium adsorption (including adsorption-induced deformation) and transport, are described. Possible improvements and upscaling strategiesto better account for kerogen in its geological environmentare also discussed.

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“…Different clay minerals have different sizes and specific surface areas (SSAs), because of the differences in crystal structure and particle size, so their adsorption capacity are different. However, the understanding of ability to adsorb methane for common clay minerals in shale has not reached an agreement. − For example, according to the decrease of methane adsorption capacity with clay mineral types, the order for Li et al is montmorillonite > chlorite > illite, the order for Wang et al is montmorillonite > kaolinite > illite-smectite mixed layer (I/S) > illite, and the order for Wang et al is montmorillonite > I/S > kaolinite > chlorite > illite. To summarize, montmorillonite generally has strong adsorption capacity, and illite has weak adsorption capacity.…”

Section: Introductionmentioning

confidence: 99%

Adsorption Models for Shale Gas: A Mini-Review

et al. 2022

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Clarifying shale gas adsorption mechanism and establishing a reliable shale gas adsorption model are the basis of evaluating shale gas geological reserve and studying flow theory, so rich research on shale gas adsorption has been reported recently. However, with the development of shale gas reservoirs, the reservoir depth is deeper, and the environment is more complicated, especially the characteristic of high temperature and high pressure. These bring a new challenge to reveal the deep shale gas adsorption characteristics by using existing shale gas adsorption theoretical models established based on the middle and shallow shale gas reservoirs. Therefore, the popular methods of experiments, simulation, and models on shale gas adsorption are summarized in detail, and their advantages and disadvantages are clarified. The results show that the isothermal adsorption experiment of shale gas is still the basis method to study shale gas adsorption, but the experimental pressure should be further increased to meet the conditions of deep shale gas reservoir. Molecular simulation can reveal the shale gas adsorption microcosmic mechanisms, but the simulation results have multiple solutions, and the simulation scale is small, difficult to truly reflect the adsorption characteristics of shale gas in a larger scale. Shale gas adsorption models are established mostly based on classical adsorption models or their modifications, and hence they are difficult to reflect shale reservoir characteristics, such as total organic carbon (TOC), primary water, and desorption hysteresis. Therefore, it is important to establish a set of shale gas adsorption−desorption model which can fully consider the shale reservoir characteristics in the future.

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Molecular Simulation of Adsorption in Deep Marine Shale Gas Reservoirs

Cited by 7 publications

References 35 publications

Review of the Effect of Diagenetic Evolution of Shale Reservoir on the Pore Structure and Adsorption Capacity of Clay Minerals

Review of the Effect of Diagenetic Evolution of Shale Reservoir on the Pore Structure and Adsorption Capacity of Clay Minerals

Development of Atomistic Kerogen Models and Their Applications for Gas Adsorption and Diffusion: A Mini-Review

Adsorption Models for Shale Gas: A Mini-Review

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