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.
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This article is to be regarded part of the first Synergy Between Experiment and Computation in Nanoscale Science (NNIN/C) conference held in Cambridge, Massachusetts, U.S.A., 31 May–3 June 2006 proceedings published in the Journal of Computer-Aided Materials Design, Volume 14, No. 1, 2007.
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Biferale, L., Benzi, R., Sbragaglia, M. et al. Wetting/dewetting transition of two-phase flows in nano-corrugated channels. J Computer-Aided Mater Des 14, 447–456 (2007). https://doi.org/10.1007/s10820-007-9061-1
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DOI: https://doi.org/10.1007/s10820-007-9061-1