Abstract. From molecular dynamics simulations on immiscible flows, we find the relative slipping between the fluids and the solid wall everywhere to follow the generalized Navier boundary condition, in which the amount of slipping is proportional to the sum of tangential viscous stress and the uncompensated Young stress. The latter arises from the deviation of the fluid-fluid interface from its static configuration. We give a continuum formulation of the immiscible flow hydrodynamics, comprising the generalized Navier boundary condition, the Navier-Stokes equation, and the CahnHilliard interfacial free energy. Our hydrodynamic model yields near-complete slip of the contact line, with interfacial and velocity profiles matching quantitatively with those from the molecular dynamics simulations.
IntroductionImmiscible two-phase flow in the vicinity of the contact line (CL), where the fluid-fluid interface intersects the solid wall, is a classical problem that falls beyond the framework of conventional hydrodynamics [1,2,3,4,5,6,7,8,9,10,11,12,13,14]. In particular, molecular dynamics (MD) studies have shown relative slipping between the fluids and the wall, in violation of the no-slip boundary conditions [6,7,8,9]. While there have been numerous ad-hoc models [1,10,12,13,14] to address this phenomenon, none has been able to give a quantitative account of the MD slip velocity profile in the molecular-scale vicinity of the CL. This failure casts doubts on the general applicability of the continuum hydrodynamics in the CL region. In particular, a (possible) breakdown in the hydrodynamic description for the molecular-scale CL region has been suggested [8,9].Without a continuum hydrodynamic formulation, it becomes difficult or impossible to have realistic simulations of micro-or nanofluidics, or of immiscible flows in porous media where the relative wetting characteristics, the moving CL dissipation, and behavior over undulating surfaces may have macroscopic implications.From MD simulations on immiscible two-phase flows, we report the finding that the generalized Navier boundary condition (GNBC) applies for all boundary regions, whereby the relative slipping is proportional to the sum of tangential viscous stress and the uncompensated Young stress. The latter arises from the deviation of the fluidfluid interface from its static configuration [12]. By combining GNBC with the CahnHilliard (CH) hydrodynamic formulation of two-phase flow [13,14], we obtained a consistent, continuum description of immiscible flow with predictions matching those from MD simulations. Our findings suggest the no-slip boundary condition to be an approximation to the GNBC, accurate for most macroscopic flows but failing in immiscible flows.
Molecular dynamics simulationsThe MD simulations were performed for both the static and dynamic configurations in Couette and Poiseuille flows [15]. The two immiscible fluids were confined *