Molecular dynamics study on the mechanisms of ultrafine bubbles in CO2 hydrate formation

Highlights: • CO₂ hydrate-based carbon capture was studied using molecular dynamics in the presence of H₂, N₂, O₂, and CO₂ nanobubbles. • The mechanism and kinetics of nanobubble-assisted CO₂ hydrate growth were elucidated. • Structural ordering and cage characteristics of CO₂ hydrates were systematically investigated. • The interplay between thermodynamic conditions and nanobubbles in hydrate formation was demonstrated. • Nanobubbles were shown to play a dual role in CO₂ hydrate formation.