Specific molecular interactions underlie
unexpected and
useful
phenomena in nanofluidic systems, but these require descriptions that
go beyond traditional macroscopic hydrodynamics. In this letter, we
demonstrate how equilibrium molecular dynamics simulations and linear
response theory can be synthesized with hydrodynamics to provide a
comprehensive characterization of nanofluidic transport. Specifically,
we study the pressure driven flows of ionic solutions in nanochannels
comprised of two-dimensional crystalline substrates made from graphite
and hexagonal boron nitride. While simple hydrodynamic descriptions
do not predict a streaming electrical current or salt selectivity
in such simple systems, we observe that both arise due to the intrinsic
molecular interactions that act to selectively adsorb ions to the
interface in the absence of a net surface charge. Notably, this emergent
selectivity indicates that these nanochannels can serve as desalination
membranes.