College of Mathematics, Physics and Information Engineering, Zhejiang Normal University, Jinhua 321004, China.
J Chem Phys. 2019 Mar 14;150(10):104702. doi: 10.1063/1.5082229.
Using molecular dynamics simulations, we have investigated the hydrophobic interactions and influence of nitrogen molecules on the critical distance of dewetting between the nanoscale hydrophobic plates. We show that dewetting transition is very sensitive to the distribution of nitrogen molecules. The nitrogen molecules prefer to aggregate in the vicinity of the two hydrophobic plates and exclude water molecules. Furthermore, our simulation results indicate that the effective range of hydrophobic attraction between the two nanoscale plates is enhanced by the aggregated nitrogen molecules. In particular, we find that the distribution patterns of nitrogen molecules are very different when the inter-plate region is filled with water or dewetted. These findings are helpful to understand the effects of gas molecules dissolved in water on hydrophobic interactions.
使用分子动力学模拟，我们研究了疏水相互作用以及氮分子对纳米尺度疏水板之间去湿临界距离的影响。结果表明，去湿转变对氮分子的分布非常敏感。氮分子倾向于在两个疏水板附近聚集并排斥水分子。此外，模拟结果表明，氮分子的聚集增强了两个纳米尺度板之间的疏水吸引力的有效范围。具体来说，我们发现当两板之间的区域充满水或去湿时，氮分子的分布模式有很大的不同。这些发现有助于理解溶解在水中的气体分子对疏水相互作用的影响。
