On molecular and continuum boundary conditions for a miscible binary fluid

Abstract

We show that molecular dynamics simulations can furnish useful boundary conditions at a solid surface bounding a two-component fluid. In contrast to some previous reports, convective-diffusive flow is consistent with continuum equations down to atomic scales. However, concentration gradients can produce flow without viscous dissipation that is inconsistent with the commonly used Navier slip condition. Also, differential wetting of the two components coupled to a concentration gradient can drive convective flows that could be used to make nano-pumps or motors.