Critical parameters controlling wettability in hydrogen underground storage - An analytical study

Nazari, Farzaneh; Farajzadeh, R.; Niasar, Vahid

doi:10.1016/j.jciso.2022.100063

Cited by 7 publications

(3 citation statements)

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“…Although the practicality of H 2 storage in salt formations has been proved, a higher storage capacity and sealing capability of aquifers and depleted petroleum reservoirs make them attractive options for large-scale H 2 storage as well. − Nevertheless, successfully storing H 2 in subsurface geological formations necessitates a comprehensive knowledge of the behavior of H 2 in the porous storage area under actual thermodynamic conditions . Two crucial parameters control the H 2 –brine movement in subsurface porous rocks and capillary trapping, which are the interfacial tension (IFT) between H 2 and water/brine and the contact angle . However, the latter results from the interaction between the interfacial tensions at the contact point.…”

Section: Introductionmentioning

confidence: 99%

“… 12 Two crucial parameters control the H 2 –brine movement in subsurface porous rocks and capillary trapping, which are the interfacial tension (IFT) between H 2 and water/brine 13 and the contact angle. 14 However, the latter results from the interaction between the interfacial tensions at the contact point. In definition, IFT is the key property of the boundary that exists between immiscible fluids and is related to the intermolecular interactions of phases on each side of the boundary.…”

Section: Introductionmentioning

confidence: 99%

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Interfacial Tension–Temperature–Pressure–Salinity Relationship for the Hydrogen–Brine System under Reservoir Conditions: Integration of Molecular Dynamics and Machine Learning

Omrani,

Ghasemi,

Singh

et al. 2023

Langmuir

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Hydrogen (H 2 ) underground storage has attracted considerable attention as a potentially efficient strategy for the large-scale storage of H 2 . Nevertheless, successful execution and long-term storage and withdrawal of H 2 necessitate a thorough understanding of the physical and chemical properties of H 2 in contact with the resident fluids. As capillary forces control H 2 migration and trapping in a subsurface environment, quantifying the interfacial tension (IFT) between H 2 and the resident fluids in the subsurface is important. In this study, molecular dynamics (MD) simulation was employed to develop a data set for the IFT of H 2 −brine systems under a wide range of thermodynamic conditions (298−373 K temperatures and 1−30 MPa pressures) and NaCl salinities (0−5.02 mol•kg −1 ). For the first time to our knowledge, a comprehensive assessment was carried out to introduce the most accurate force field combination for H 2 −brine systems in predicting interfacial properties with an absolute relative deviation (ARD) of less than 3% compared with the experimental data. In addition, the effect of the cation type was investigated for brines containing NaCl, KCl, CaCl 2 , and MgCl 2 . Our results show that H 2 −brine IFT decreases with increasing temperature under any pressure condition, while higher NaCl salinity increases the IFT. A slight decrease in IFT occurs when the pressure increases. Under the impact of cation type, Ca 2+ can increase IFT values more than others, i.e., up to 12% with respect to KCl. In the last step, the predicted IFT data set was used to provide a reliable correlation using machine learning (ML). Three whitebox ML approaches of the group method of data handling (GMDH), gene expression programming (GEP), and genetic programming (GP) were applied. GP demonstrates the most accurate correlation with a coefficient of determination (R 2 ) and absolute average relative deviation (AARD) of 0.9783 and 0.9767%, respectively.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Interfacial Tension–Temperature–Pressure–Salinity Relationship for the Hydrogen–Brine System under Reservoir Conditions: Integration of Molecular Dynamics and Machine Learning

Omrani,

Ghasemi,

Singh

et al. 2023

Langmuir

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“…The most common description of wettability is via the contact angle between the fluids and the surface. Most studies of porous media consider a static (equilibrium) contact angle, namely identical advancing and receding contact angles, ignoring the effect of hysteresis related to the direction of advancement or flow velocity (dynamics) (Rabbani et al, 2017;Friis et al, 2019;Rabbani and Seers, 2019;Ambekar et al, 2021b;Jettestuen et al, 2021;Yang et al, 2021c), in contrast with the more picture exposed by experimental and theoretical studies showing different advancing and receding contact angles (Lam et al, 2002;Chibowski, 2007) as well as contact angle variations in both space (due to the surface roughness and chemistry) (Alhammadi et al, 2017;AlRatrout et al, 2017;Nazari et al, 2022) and time (Bandara et al, 2016). Neglecting these aspects can lead to discrepancies in the predicted displacement patterns (Tembely et al, 2020).…”

Section: Wettability Effectsmentioning

confidence: 99%

Pore-scale modeling of solute transport in partially-saturated porous media

Saeibehrouzi,

Abolfathi,

Denissenko

et al. 2024

Preprint

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Solute transport in partially-saturated porous media plays a key role in multiple applications across scales, from the migration of nutrients and contaminants in soils to geological energy storage and recovery. Our understanding of transport in unsaturated porous media remains limited compared to the well-studied saturated case. The focus of this review is the non-reactive transport driven by the displacement of immiscible fluids, where the fluid-fluid interface acts as a barrier that limits the solute to a single fluid phase. State-of-the-art pore-scale models are described, with a critical analysis of the gaps and challenges. A numerical example is provided to demonstrate the acute sensitivity of solute transport prediction to minute, inevitable uncertainties in the spatial distribution of the fluids’ velocities and interface configuration associated with the multiphase flow modeling.

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