Computational nanofluidics: Nonlocal transport and the glass transition

Nanomaterials have properties that can be substantially different from those of the corresponding bulk phases. In particular, fluid flows in pores or channels of nanoscale dimension can deviate strongly from macroscopic expectations. When such structures approach the size regime corresponding to molecular scaling lengths, new physical constraints are placed on the behavior of the fluid. These physical constraints induce regions of the fluid to exhibit new properties (e.g. vastly increased viscosity near the pore wall) and they may affect changes in thermodynamic properties and may also alter the chemical reactivity of species at the fluidsolid interface. Consequently, many classical theories break down and are no longer valid at such small length and time scales. The development of models that go beyond classical (Navier-Stokes-Fourier) hydrodynamics would be very helpful for the prediction and understanding of flows in highly confined geometries (typically 1-100 nm). While such nanoscale systems can be very difficult to probe experimentally, they can be easily approached in a very strict manner by molecular modelling, providing theory and simulation an opportunity for the discovery of new phenomena. We therefore review in this article the advances within the framework of generalized hydrodynamics and present the latest theoretical developments and modelling results that can ultimately lead to suitable predictive tools capable of accurate prediction of the key physical properties of fluids under nano-confined geometries. [Continued on next page]