According to recent studies on hydrophobic interactions, this work is devoted to investigate the structural origin of hydration force. As a solute is embedded into water, it mainly affects the structure of interfacial water, which is dependent on the geometric shape of the solute. From this study, hydration repulsive force is reasonably ascribed to the effects of surface roughness of solute on hydrophobic interactions. Hydration repulsive force is only expected as the size of surface roughness being less than Rc (critical radius). Additionally, this can be demonstrated by potential of mean force (PMF) calculated using molecular dynamics simulations.

中文翻译：

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水化排斥力的结构成因

根据对疏水相互作用的最新研究，这项工作致力于研究水合力的结构来源。由于溶质嵌入水中，它主要影响界面水的结构，这取决于溶质的几何形状。根据这项研究，水合排斥力可以合理地归因于溶质表面粗糙度对疏水相互作用的影响。水合排斥力仅在表面粗糙度小于Rc（临界半径）的情况下才可预期。此外，这可以通过使用分子动力学模拟计算出的平均力（PMF）潜力来证明。