From extensive molecular dynamics simulations on immiscible two-phase 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 Cahn-Hilliard interfacial free energy. Our hydrodynamic model yields interfacial and velocity profiles matching those from the molecular dynamics simulations at the molecular-scale vicinity of the contact line. In particular, the behavior at high capillary numbers, leading to the breakup of the fluid-fluid interface, is accurately predicted.
In immiscible two-phase flows, contact line denotes the intersection of the fluid-fluid interface with the solid wall. When one fluid displaces the other, the contact line moves along the wall. A classical problem in continuum hydrodynamics is the incompatibility between the moving contact line and the no-slip boundary condition, as the latter leads to a non-integrable singularity. The recently discovered generalized Navier boundary condition (GNBC) offers an alternative to the no-slip boundary condition which can resolve the moving contact line conundrum. We present a variational derivation of the GNBC through the principle of minimum energy dissipation (entropy production), as formulated by Onsager for small perturbations away from the equilibrium. Through numerical implementation of a continuum hydrodynamic model, it is demonstrated that the GNBC can quantitatively reproduce the moving contact line slip velocity profiles obtained from molecular dynamics simulations. In particular, the transition from complete slip at the moving contact line to near-zero slip far away is shown to be governed by a power-law partial slip regime, extending to mesoscopic length scales. The sharp (fluid-fluid) inter-2 T. Qian, X.-P. Wang and P. Sheng face limit of the hydrodynamic model, together with some general implications of slip versus no-slip, are discussed.
We simulate the moving contact line in two-dimensional chemically patterned channels using a diffuse-interface model with the generalized Navier boundary condition. The motion of the fluid-fluid interface in confined immiscible two-phase flows is modulated by the chemical pattern on the top and bottom surfaces, leading to a stick-slip behaviour of the contact line. The extra dissipation induced by this oscillatory contact-line motion is significant and increases rapidly with the wettability contrast of the pattern. A critical value of the wettability contrast is identified above which the effect of diffusion becomes important, leading to the interesting behaviour of fluid-fluid interface breaking, with the transport of the non-wetting fluid being assisted and mediated by rapid diffusion through the wetting fluid. Near the critical value, the time-averaged extra dissipation scales as U , the displacement velocity. By decreasing the period of the pattern, we show the solid surface to be characterized by an effective contact angle whose value depends on the material characteristics and composition of the patterned surfaces.
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