On the manifestation of hydrophobicity at the nanoscale
On the manifestation of hydrophobicity at the nanoscale
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DOI：
10.1021/jp801852v
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发表时间：
2008-05-22
影响因子：
3.3
通讯作者：
Choudhury, Niharendu
中科院分区：
文献类型：
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作者：
Choudhury, Niharendu
在纳米尺度上，疏水性的表现取决于溶质的拓扑结构。利用不同的纳米级疏水板，通过分子动力学模拟研究了纳米级疏水板的水化和脱湿过程。溶质的拓扑结构调节了纳米密闭水的行为，导致任何一种湿、干和间歇性干湿间质状态。目前的结果调和明显不同的文献报道如何水的行为在扩展疏水表面，并阐明了脱湿的机制。
The manifestation of hydrophobicity at the nanoscale has been shown to depend on the topology of the solute. Using various nanoscopic hydrophobic plates, molecular dynamics simulation has been employed to explore the hydration and dewetting at the nanoscale. The topology of the solute regulates the behavior of nanoconfined water, resulting in any of the wet, dry, and intermittent wet-dry intersolute states. The present result reconciles apparently contrasting literature reports on how water behaves at extended hydrophobic surfaces and sheds light on the mechanism of dewetting.