Interfacial effects on nanoconfined diffusive mass transport regimes

A hierarchical multiscale modeling approach, incorporating molecular dynamics and finite element techniques, is used to study parametrically diffusion regimes through nanoconfined fluid. Novel parameters that determine the character of the diffusion regime and diffusion kinetics within the nanoscale confined fluids is established by exploring diffusion where the interface effects at the solid surface are important. New diffusion transport characteristics are established when nanochannel confining dimension approaches 3-4 sizes of diffusing molecules, which also marks peripheries of the non-Fickian transport regime.