Nanoconfined Fluids

The physics of fluids in nanoconfinement such as micropores or at interfaces with solid surfaces such as graphene differs significantly from the physics in the bulk. The significant and often counterintuitive changes in fluid behaviour in nanospace are caused by dominant effects of interactions between the fluid molecules and surface atoms. Results of strong fluid-solid interactions are inhomogeneities in fluid density, appearance of specific fluid phases, slow-down of fluid diffusion and transport, e.g. aqueous solutions in hydrophilic mineral micropores, or speed-up of fluid diffusion and transport, e.g. water in carbon nanotubes. We use molecular dynamics and Monte Carlo simulations to understand, describe and quantify at the molecular level effects of nanospace and fluid-solid interactions on the phase, structural, diffusion and transport behaviour of nanoconfined fluids. A molecular-level understanding of nanoconfined fluid behaviour plays a critical role in rational design of porous materials or in development of graphene-based technologies.