Using a unique combination of the slab-layering analyses and identification of truly interfacial molecules, this work examines water:vapor and water:<i>n</i>-hexane interfaces, specifically the structural and dynamic perturbations of the interfacial water molecules at different locations within the surface capillary waves. From both the structural and dynamic properties analyzed, it is found that these interfacial water molecules dominate the perturbations within the interfacial region, which can extend deep into the water phase relative to the Gibbs dividing surface. Heterogeneity of the interfacial water molecules at the capillary wave front is established beyond the typical metrics of the dipole orientation but also the structural and dynamic behavior of hydrogen bonds and their networks.

Behavior of capillary wave fronts and their role in defining interfacial regions of water

254th National Meeting (2017)

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