**A quasi-continuum hydrodynamic model for slit shaped nanochannel flow**

R Bhadauria and NR Aluru, JOURNAL OF CHEMICAL PHYSICS, 139, 074109 (2013).

DOI: 10.1063/1.4818165

We propose a quasi-continuum hydrodynamic model for isothermal transport
of Lennard-Jones fluid confined in slit shaped nanochannels. In this
work, we compute slip and viscous contributions independently and
superimpose them to obtain the total velocity profile. Layering of fluid
near the interface plays an important role in viscous contribution to
the flow, by apparent viscosity change along the confining dimension.
This relationship necessitates computing density profiles, which is done
using the recently proposed empirical-potential based quasi-continuum
theory **A. V. Raghunathan, J. H. Park, and N. R. Aluru, J. Chem. Phys.
127, 174701 (2007)**. Existing correlations for density dependent
viscosity provided by Woodcock **AIChE J. 52, 438 (2006)** are used to
compute viscosity profile in the nanopores. A Dirichlet type slip
boundary condition based on a static Langevin friction model describing
center-of-mass motion of fluid particles is used, the parameters of
which are dependent on the fluctuations of total wall-fluid force from
an equilibrium molecular dynamics simulation. Different types of
corrugated surfaces are considered to study wall-fluid friction effects
on boundary conditions. Proposed hydrodynamic model yields good
agreement of velocity profiles obtained from non-equilibrium molecular
dynamics simulations for gravity driven flow. (C) 2013 AIP Publishing
LLC.

Return to Publications page