Coarse-grained modeling of the interface between water and heterogeneous surfaces

被引:36
作者
Willard, Adam P. [1 ]
Chandler, David [1 ]
机构
[1] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA
关键词
CAPILLARY EVAPORATION; HYDROPHOBIC COLLAPSE; TRANSITION; HYDRATION; DYNAMICS;
D O I
10.1039/b805786a
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Using coarse-grained models we investigate the behaviour 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 mid 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.
引用
收藏
页码:209 / 220
页数:12
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