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Paper
Faraday Discuss., 2009, 141, 209 - 220, DOI: 10.1039/b805786a
Coarse-grained modeling of the interface between water and heterogeneous surfaces
Adam P. Willard and David Chandler
Using coarse-grained models we investigate the behavior of water adjacent to an extended hydrophobic surface peppered with various fractions of hydrophilic patches of different sizes. We study the spatial dependence of the mean interface height, the solvent density fluctuations related to drying the patchy substrate, and the spatial dependence of interfacial fluctuations. We find that adding small uniform attractive interactions between the substrate and solvent cause the mean position of the interface to be very close to the substrate. Nevertheless, the interfacial fluctuations are large and spatially heterogeneous in response to the underlying patchy substrate. We discuss the implications of these findings for the assembly of heterogeneous surfaces.
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