Molecular mechanisms of hydrogen leakage and blockage in kaolinite nano-cracks for underground hydrogen storage

Physics of Fluids, Год журнала: 2025, Номер 37(1)

Опубликована: Янв. 1, 2025

Underground H2 storage in saline aquifers is critical for advancing the global energy transition through large-scale utilization. However, cyclic stress-induced nano-cracks caprocks may lead to leakage due small size and high diffusivity of H2. This study employed molecular dynamics simulations exploring occurrence states H2O near kaolinite surfaces, particularly focusing on when a nano-crack formed. We examined effects basal surfaces (gibbsite siloxane), water content, cushion gases (CH4 CO2). In gibbsite aquifers, formed adsorption layers; while siloxane it appeared as droplets or bridges. Upon formation, initial occurred but halted once number blocked crack. was generally higher than except at low content. Increased content significantly reduced by rapidly achieving number, whereas effect depended distribution. Cushion effectively mitigated leakage. CO2 outperformed CH4 their varied based hindering entry into crack, not only impeded also assisted blocking Our analysis density distributions, dynamics, configurations, excess chemical potentials provides insights blockage mechanisms aqueous environments caprock minerals, facilitating evaluation feasibility aquifers.

Язык: Английский

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Molecular dynamic simulations on the hydrogen wettability of caprock: Considering effects of mineralogy, pressure, temperature and salinity

International Journal of Hydrogen Energy, Год журнала: 2025, Номер 109, С. 367 - 382

Опубликована: Фев. 12, 2025

Язык: Английский

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Application of Molecular Dynamics Simulation in CO2-EOR and CO2 Geological Storage: A Review

Geoenergy Science and Engineering, Год журнала: 2025, Номер unknown, С. 213894 - 213894

Опубликована: Апрель 1, 2025

Язык: Английский

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Geomechanical integrity and geochemical reactions of shale caprocks for hydrogen storage: A comprehensive review

Fuel, Год журнала: 2025, Номер 400, С. 135728 - 135728

Опубликована: Май 21, 2025

Язык: Английский

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Wettability of hydrogen-rock-brine systems: Parametric analysis and knowledge gaps

Fuel, Год журнала: 2025, Номер 401, С. 135821 - 135821

Опубликована: Июнь 2, 2025

Язык: Английский

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