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Structural and Dynamic Heterogeneity of Capillary Wave Fronts at Aqueous Interfaces
The Journal of Physical Chemistry B ( IF 2.8 ) Pub Date : 2017-09-19 00:00:00 , DOI: 10.1021/acs.jpcb.7b07406
Tiecheng Zhou 1 , Alex McCue 1 , Yasaman Ghadar 1 , Imre Bakó 2 , Aurora E. Clark 1
Affiliation  

Using a unique combination of slab-layering analyses and identification of truly interfacial molecules, this work examines water/vapor and water/n-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. Of more importance is the demonstration of structural and dynamic heterogeneity of the interfacial water molecules at the capillary wave front, as indicated by the dipole orientation and the structural and dynamic behavior of hydrogen bonds and their networks.

中文翻译:

水界面的毛细管波阵面的结构和动态异质性

通过将板层分析与真正界面分子的识别完美结合,这项工作可以检查水/蒸气和水/ n-己烷界面,特别是在表面毛细管波内不同位置的界面水分子的结构和动态扰动。从分析的结构和动力学性质来看,发现这些界面水分子支配了界面区域内的扰动,相对于吉布斯(Gibbs)划分表面,其可以延伸到水相的深处。更重要的是,在毛细管波前沿,界面水分子的结构和动态异质性得到了证明,如偶极子方向以及氢键及其网络的结构和动态行为所表明的那样。
更新日期:2017-09-20
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