[HTML][HTML] Molecular dynamics simulations of the interfacial tension and the solubility of brine/H2/CO2 systems: Implications for underground hydrogen storage

AM Adam, D Bahamon, M Al Kobaisi… - International Journal of …, 2024 - Elsevier
The interfacial tension (IFT) between the reservoir fluids and the solubilities of the injected
hydrogen and cushion gas in the underground brine plays a critical role in the security and …

[HTML][HTML] A prediction of interfacial tension by using molecular dynamics simulation: A study on effects of cushion gas (CO2, N2 and CH4) for Underground Hydrogen …

QT Doan, A Keshavarz, CR Miranda… - International Journal of …, 2024 - Elsevier
Carbon Dioxide (CO 2) emissions from fossil fuel consumption have caused global warming
and remain challenging problems for mitigation. Underground Hydrogen Storage (UHS) …

[HTML][HTML] Prediction of hydrogen− brine interfacial tension at subsurface conditions: Implications for hydrogen geo-storage

M Hosseini, Y Leonenko - International Journal of Hydrogen Energy, 2024 - Elsevier
Underground hydrogen storage (UHS) offers a promising approach for the storage of
significant volumes of hydrogen gas (H 2) within deep geological formations, which can later …

Wetting Preference of Silica Surfaces in the Context of Underground Hydrogen Storage: A Molecular Dynamics Perspective

MA Ghafari, M Ghasemi, V Niasar, M Babaei - Langmuir, 2024 - ACS Publications
The growing interest in large-scale underground hydrogen (H2) storage (UHS) emphasizes
the need for a comprehensive understanding of the fundamental characteristics of …

Wetting Behavior of Kerogen Surfaces: Insights from Molecular Dynamics

N Sanchouli, S Babaei, M Kanduc, F Molaei… - Langmuir, 2024 - ACS Publications
In this study, the wettability of a kerogen surface, a key component of shale reservoirs, is
investigated by using molecular dynamics simulations. Specifically, we examined the impact …

Molecular modeling of interfacial properties of the hydrogen+ water+ decane mixture in three-phase equilibrium

Y Yang, J Wan, J Li, G Zhao, X Shang - Physical Chemistry Chemical …, 2023 - pubs.rsc.org
The understanding of interfacial phenomena between H2 and geofluids is of great
importance for underground H2 storage, but requires further study. We report the first …

Study on the influence mechanism of hot flue gas injection pressure on the wettability of anthracite coal: From the perspective of molecular dynamics

S Ma, B Lin, X Zhang, Q Liu, W Zha - ACS omega, 2024 - ACS Publications
A multicomponent wetting model of coal–water–methane–hot flue gas was hereby
constructed to investigate the influence of complex components of hot flue gas on coal …

[HTML][HTML] A comparative study on transport and interfacial physics of H2/CO2/CH4 interacting with H2O and/or silica by molecular dynamics simulation

C Chen, J Xia - Physics of Fluids, 2024 - pubs.aip.org
Underground H 2 storage (UHS), ie, injecting H 2 into subsurface geological formation and
its withdrawal when needed, is identified as a promising solution for large-scale and long …

Effects of impurity gases on interfaces of the hydrogen-water-decane three-phase system: A square gradient theory investigation

Y Yang, J Wan, J Li, W Zhu, G Zhao, X Shang - Capillarity, 2023 - sciopen.com
The effects of impurity gases on interfacial characteristics of hydrogen-water-oil three-phase
systems are critical to underground H 2 storage in depleted oil fields but have not been …

Influence of nitrogen cushion gas in 3-phase surface phenomena for hydrogen storage in gas condensate reservoirs

NS Muhammed, MB Haq, D Al Shehri - International Journal of Hydrogen …, 2024 - Elsevier
Recent research has primarily focused on 2-phase systems for hydrogen storage in porous
media. However, the impact of cushion gases mixed with hydrocarbon fluids, such as n …