Water and COâ‚‚ Transport in Nanochannels
Overview
​This project investigates fluid transport at the nanoscale using molecular dynamics (MD) simulations, with a focus on water, COâ‚‚, and COâ‚‚–water mixtures confined within silica nanochannels. The goal is to understand how confinement and surface chemistry alter transport behavior relative to classical continuum predictions, with applications in energy systems such as carbon storage and subsurface flow.
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Research Focus
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Nanoscale fluid transport exhibits significant deviations from classical continuum models under confinement.
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Surface chemistry plays a critical role in governing interfacial slip and flow resistance.
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Hydrophobic and hydrophilic surfaces lead to fundamentally different transport behavior.
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Multicomponent systems (COâ‚‚–water mixtures) introduce additional complexity in transport
Simulation Snapshots
