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首页> 外文期刊>Proceedings of the National Academy of Sciences of the United States of America >Enhanced surface hydrophobicity by coupling of surface polarity and topography
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Enhanced surface hydrophobicity by coupling of surface polarity and topography

机译：通过表面极性和形貌的耦合增强表面疏水性

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摘要

We use atomistic computer simulation to explore the relationship between mesoscopic (liquid drop contact angle) and microscopic (surface atomic polarity) characteristics for water in contact with a model solid surface based on the structure of silica. We vary both the magnitude and direction of the solid surface polarity at the atomic scale and characterize the response of an aqueous interface in terms of the solvent molecular organization and contact angle. We show that when the topography and polarity of the surface act in concert with the asymmetric charge distribution of water, the hydrophobicity varies substantially and, further, can be maximal for a surface with significant polarity. The results suggest that patterning of a surface on several length scales, from atomic to jim lengths, can make important independent contributions to macroscopic hydrophobicity.
机译：我们使用原子计算机模拟来探索水的介观（液滴接触角）与微观（表面原子极性）特性之间的关系，该特性与基于二氧化硅结构的模型固体表面接触。我们在原子尺度上改变固体表面极性的大小和方向，并根据溶剂分子的组织和接触角来表征水界面的响应。我们表明，当表面的形貌和极性与水的不对称电荷分布协同作用时，疏水性会发生很大变化，并且对于具有显着极性的表面，疏水性可能会最大。结果表明，从原子长度到吉姆长度的多个长度尺度上的表面图案都可以对宏观疏水性做出重要的独立贡献。

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