Choudhury Niharendu
Chemistry Group, Bhabha Atomic Research Centre, Mumbai, India.
J Phys Chem B. 2008 May 22;112(20):6296-300. doi: 10.1021/jp801852v. Epub 2008 Apr 29.
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.
纳米尺度下疏水性的表现已被证明取决于溶质的拓扑结构。利用各种纳米级疏水板,采用分子动力学模拟来探索纳米尺度下的水合作用和去湿过程。溶质的拓扑结构调节着纳米受限水的行为,导致出现湿润、干燥以及间歇性干湿相间的溶质间状态中的任何一种。目前的结果调和了关于水在扩展疏水表面上行为的明显相互矛盾的文献报道,并揭示了去湿机制。