Interfacial friction based quasi-continuum hydrodynamical model for nanofluidic transport of water

In this work, we formulate a one-dimensional isothermal hydrodynamic transport model for water, which is an extension to our recently proposed hydrodynamic model for Lennard-Jones type fluid [R. Bhadauria and N. R. Aluru, J. Chem. Phys. 139, 074109 (2013)]. Viscosity variations in confinement are incorporated by the local average density method. Dirichlet boundary conditions are provided in the form of slip velocity that depends upon the macroscopic interfacial friction coefficient. The value of this friction coefficient is computed using a novel generalized Langevin equation formulation that eliminates the use of equilibrium molecular dynamics simulation. Gravity driven flows of SPC/E water confined between graphene and silicon slit shaped nanochannels are considered as examples for low and high friction cases. The proposed model yields good quantitative agreement with the velocity profiles obtained from non-equilibrium molecular dynamics simulations. (C) 2015 AIP Publishing LLC.