Molecular and continuum boundary conditions for a miscible binary fluid

C. Denniston and M. O. Robbins, Phys Rev Lett, 87, 178302 (2001).

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 nanopumps or motors.

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