论文标题
在拮抗盐的存在下消失的水/油界面
The vanishing water/oil interface in the presence of antagonistic salt
论文作者
论文摘要
拮抗盐是由亲水和疏水离子组成的盐。在水和有机溶剂的二元混合物中，这些离子优先溶于不同的相。我们通过分子动力学（MD）模拟研究了拮抗盐，四苯基磷酸PPH $ _4 $ Cl的影响。对于盐的浓度增加，两相区域是缩小的，并且界面张力减少，与将正常盐添加到这种混合物中时会发生鲜明对比。 MD模拟使我们能够详细研究表面张力减少的机制。我们获得界面周围的离子和组成分布，并确定系统中的氢键，并得出结论，添加盐会改变氢键。
Antagonistic salts are salts which consist of hydrophilic and hydrophobic ions. In a binary mixture of water and organic solvent, these ions preferentially dissolve into different phases. We investigate the effect of an antagonistic salt, tetraphenylphosphonium chloride PPh$_4$Cl, in a mixture of water and 2,6-lutidine by means of Molecular Dynamics (MD) Simulations. For increasing concentrations of the salt the two-phase region is shrunk and the interfacial tension in reduced, in contrast to what happens when a normal salt is added to such a mixture. The MD simulations allow us to investigate in detail the mechanism behind the reduction of the surface tension. We obtain the ion and composition distributions around the interface and determine the hydrogen bonds in the system and conclude that the addition of salt alter the hydrogen bonding.
