On molecular and continuum boundary conditions for a miscible binary fluid

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Abstract
We show that molecular dynamics simulations can furnish useful boundary conditions at a solid surface bounding a two-component fluid. Convective-diffusive flow is consistent with continuum equations down to atomic scales. The ``no-slip'' boundary condition is not valid for the individual species velocities and is often incompatible with the governing equations for average velocities. Indeed, one can get entropy driven mean flow without viscous dissipation. We find that differential wetting of the two components coupled with a concentration gradient can drive convective flow. This could be used to make nano-pumps or nano-motors.

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