General continuum boundary conditions for miscible binary fluids from molecular dynamics simulations.

@article{Denniston2006GeneralCB,
  title={General continuum boundary conditions for miscible binary fluids from molecular dynamics simulations.},
  author={Colin Denniston and Mark O. Robbins},
  journal={The Journal of chemical physics},
  year={2006},
  volume={125 21},
  pages={214102}
}
Molecular dynamics simulations are used to explore the flow behavior and diffusion of miscible fluids near solid surfaces. The solid produces deviations from bulk fluid behavior that decay over a distance of the order of the fluid correlation length. Atomistic results are mapped onto two types of continuum model: Mesoscopic models that follow this decay and conventional sharp interface boundary conditions for the stress and velocity. The atomistic results, and mesoscopic models derived from… CONTINUE READING

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