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We investigate the behavior of a patchy particle model close to a hard-wallvia Monte Carlo simulation and density functional theory (DFT). Two DFTapproaches, based on the homogeneous and inhomogeneous versions of Wertheim'sfirst order perturbation theory for the association free energy are used. Weevaluate, by simulation and theory, the equilibrium bulk phase diagram of thefluid and analyze the surface properties for two isochores, one of which isclose to the liquid side of the gas-liquid coexistence curve. We find that thedensity profile near the wall crosses over from a typical high-temperatureadsorption profile to a low-temperature desorption one, for the isochore closeto coexistence. We relate this behavior to the properties of the bulk networkliquid and find that the theoretical descriptions are reasonably accurate inthis regime. At very low temperatures, however, an almost fully bonded networkis formed, and the simulations reveal a second adsorption regime which is notcaptured by DFT. We trace this failure to the neglect of orientationalcorrelations of the particles, which are found to exhibit surface inducedorientational order in this regime.

Properties of patchy colloidal particles close to a surface: a Monte Carlo and density functional study