Abstract
A lattice version of the Boltzmann kinetic equation for describing multi-phase flows in nano- and micro-corrugated devices is reviewed. To this purpose, the Shan-Chen Lattice Boltzmann model [Phys. Rev. E 47, 1815 (1993)] for non-ideal fluids is extended to the case of confined geometries with hydrophobic properties on the wall. This extended Shan-Chen method is applied for the simulation of the wetting/dewetting transition in the presence of nanoscopic grooves etched on the boundaries. This approach permits to retain the essential supra-molecular details of fluid-solid interactions without surrendering -in fact boosting- the computational efficiency of continuum methods. The method is first validated against the Molecular Dynamics (MD) results of Cottin-Bizonne et al. [Nature Mater. 2, 237 (2003)] and then applied to more complex geometries, hardly accessible to MD simulations. The resulting analysis confirms that surface roughness and capillary effects can promote a sizeable reduction of the flow drag, with a substantial enhancement of the mass flow rates and slip-lengths, which can reach up to the micrometric range for highly hydrophobic surfaces.
| Original language | English |
|---|---|
| Pages (from-to) | 447-456 |
| Journal | Journal of Computer-Aided Materials Design |
| Volume | 14 |
| Issue number | 3 |
| DOIs | |
| Publication status | Published - 2007 |
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