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Orientational order as the origin of the long-range hydrophobic effect

机译:取向顺序是远距离疏水作用的起源

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The long range attractive force between two hydrophobic surfaces immersed in water is observed to decrease exponentially with their separation-this distance-dependence of effective force is known as the hydrophobic force law (HFL). We explore the microscopic origin of HFL by studying distance-dependent attraction between two parallel rods immersed in 2D Mercedes Benz model of water. This model is found to exhibit a well-defined HFL. Although the phenomenon is conventionally explained by density-dependent theories, we identify orientation, rather than density, as the relevant order parameter. The range of density variation is noticeably shorter than that of orientational heterogeneity. The latter is comparable to the observed distances of hydrophobic force. At large separation, attraction between the rods arises primarily from a destructive interference among the inwardly propagating oppositely oriented heterogeneity generated in water by the two rods. As the rods are brought closer, the interference increases leading to a decrease in heterogeneity and concomitant decrease in free energy of the system, giving rise to the effective attraction. We notice formation of hexagonal ice-like structures at the onset of attractive region which suggests that metastable free energy minimum may play a role in the origin of HFL. (C) 2015 AIP Publishing LLC.
机译:观察到浸入水中的两个疏水性表面之间的远距离吸引力随着它们的分离呈指数下降-有效力的这种距离依赖性称为疏水力定律(HFL)。我们通过研究浸泡在2D Mercedes Benz水模型中的两个平行杆之间的距离相关吸引力来探索HFL的微观起源。发现该模型表现出明确的HFL。尽管通常通过密度相关理论来解释该现象,但我们将取向而不是密度确定为相关的阶次参数。密度变化的范围明显小于取向异质性的范围。后者与所观察到的疏水力距离相当。在较大的距离处,杆之间的吸引力主要来自两个杆在水中产生的向内传播的相反取向的异质性之间的破坏性干涉。随着杆的靠近,干扰增加,导致异质性降低,系统自由能随之降低,从而产生了有效的吸引力。我们注意到在吸引区域的开始处形成了六角形的冰状结构,这表明亚稳态的自由能最小值可能在HFL的起源中起作用。 (C)2015 AIP Publishing LLC。

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