Identifying the dominant transport mechanism in single nanoscale pores and 3D nanoporous media

Yin, Ying; Qu, Zhiguo; Prodanović, Maša; Landry, Christopher J.

doi:10.1016/j.fmre.2021.12.010

Cited by 19 publications

(8 citation statements)

References 54 publications

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“…A strict lower bound of the apparent permeability is the absolute permeability, defined as the limit of the apparent permeability when nanoconfinement effects vanish. Slip and diffusive effects can enhance apparent permeability up to three orders of magnitude compared to absolute permeability, depending on the geometry and pressure (as described in [16] and shown in figure 2).…”

Section: Introductionmentioning

confidence: 99%

Learning a general model of single phase flow in complex 3D porous media

Santos,

Marcato,

Kang

et al. 2024

Mach. Learn.: Sci. Technol.

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Modeling effective transport properties of 3D porous media, such as permeability, at multiple scales is challenging as a result of the combined complexity of the pore structures and fluid physics - in particular, confinement effects which vary across the nanoscale to the microscale. While numerical simulation is possible, the computational cost is prohibitive for realistic domains, which are large and complex. Although machine learning models have been proposed to circumvent simulation, none so far has simultaneously accounted for heterogeneous 3D structures, fluid confinement effects, and multiple simulation resolutions. By utilizing numerous computer science techniques to improve the scalability of training, we have for the first time developed a general flow model that accounts for the pore-structure and corresponding physical phenomena at scales from Angstrom to the micrometer. Using synthetic computational domains for training, our machine learning model exhibits strong performance (R^2=0.9) when tested on extremely diverse real domains at multiple scales.

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Section: Introductionmentioning

confidence: 99%

Learning a general model of single phase flow in complex 3D porous media

Santos,

Marcato,

Kang

et al. 2024

Mach. Learn.: Sci. Technol.

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“…In previous studies, many scholars have devoted their studies to exploring the mechanisms of gas transport in nanopores. Their research focuses mainly on diffusion and seepage phenomena, but these two processes are usually separated and studied independently. , Regarding the candidate material for gas separation membranesnanoporous graphene, scholars such as Yuan developed transport kinetics related to direct impact of graphene body and surface diffusion of graphene adsorption layer. In exploring the gas diffusion behavior under nano constraints, Yin, and others proposed the local effective diffusivity lattice Boltzmann model (LED-LBM).…”

Section: Introductionmentioning

confidence: 99%

Constructing a Microdiffusion–Seepage–Stress Multifield Coupling Model for Nanopore Gas

Tuo,

Wang,

Cunyang

et al. 2024

ACS Omega

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“…Therefore, a realistic representation of heterogeneity is a pre-requisite to effectively predict the CO 2 migration pathways [20,21] along the overburden. In shales, which contain very narrow pores with a diameter comparable to the mean free path of the gas molecules, non-Darcy flow conditions may be established [22]. In such a case, gaseous molecules will collide more often with the pore walls and not very frequently with other molecules [23,24].…”

Section: Introductionmentioning

confidence: 99%

CO2 Leakage Scenarios in Shale Overburden

et al. 2023

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Potential CO2 leakage from deep geologic reservoirs requires evaluation on a site-specific basis to assess risk and arrange mitigation strategies. In this study, a heterogeneous and realistic numerical model was developed to investigate CO2 migration pathways and uprising time in a shaly overburden, located in the Malaysian off-shore. Fluid flow and reactive transport simulations were performed by TOUGHREACT to evaluate the: (1) seepage through the caprock; (2) CO2-rich brine leakage through a fault connecting the reservoir with seabed. The effect of several factors, which may contribute to CO2 migration, including different rock types and permeability, Fickian and Knudsen diffusion and CO2 adsorption in the shales were investigated. Obtained results show that permeability mainly ruled CO2 uprising velocity and pathways. CO2 migrates upward by buoyancy without any important lateral leakages due to poor-connection of permeable layers and comparable values of vertical and horizontal permeability. Diffusive flux and the Knudsen flow are negligible with respect to the Darcy regime, despite the presence of shales. Main geochemical reactions deal with carbonate and pyrite weathering which easily reach saturation due to low permeability and allowing for re-precipitation as secondary phases. CO2 adsorption on shales together with dissolved CO2 constituted the main trapping mechanisms, although the former represents likely an overestimation due to estimated thermodynamic parameters. Developed models for both scenarios are validated by the good agreement with the pressure profiles recorded in the exploration wells and the seismic data along a fault (the F05 fault), suggesting that they can accurately reproduce the main processes occurring in the system.

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Identifying the dominant transport mechanism in single nanoscale pores and 3D nanoporous media

Cited by 19 publications

References 54 publications

Learning a general model of single phase flow in complex 3D porous media

Learning a general model of single phase flow in complex 3D porous media

Constructing a Microdiffusion–Seepage–Stress Multifield Coupling Model for Nanopore Gas

CO2 Leakage Scenarios in Shale Overburden

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