Ion at Air-Water Interface Enhances Capillary Wave Fluctuations: Energetics of Ion Adsorption.
Ion at Air-Water Interface Enhances Capillary Wave Fluctuations: Energetics of Ion Adsorption.
复制标题
空气-水界面上的离子增强毛细波波动：离子吸附的能量学。
DOI：
--
复制
发表时间：
2018
影响因子：
15
通讯作者：
Siddhartha Das
中科院分区：
文献类型：
--
作者：
Yanbin Wang;Shayandev Sinha;P. R. Desai;Haoyuan Jing;Siddhartha Das
最近的模拟提供了离子在空气-水(a/w)界面上吸附的能量学：在界面上离子的存在抑制了毛细管波(CWS)的波动，降低了熵，并将弱相互作用的水分子置换到主体中，导致焓降低。在这里，我们提供基于原子模拟的证据，证明现有研究的推论源于考虑固定CWS的小模拟体积。对于适当大小的模拟系统，a/w界面上的离子增强了连续波的起伏。此外，我们还发现，支配这些增强的CW涨落的波的特征确保了导致焓降低的压力-体积功的显著减少，而相同的CW的波特征则导致了熵的降低。综上所述，本文回顾了a/w界面离子吸附这一基本问题的自由能图。
Recent simulations provide the energetics of ion adsorption at the air-water (a/w) interface: The presence of the ion at the interface suppresses the fluctuations of the capillary waves (CWs) reducing the entropy and displaces the weakly interacting water molecules to the bulk causing a reduction in the enthalpy. Here, we provide atomistic simulation-based evidence that the inferences of the existing studies stem from considering a small simulation volume that pins the CWs. For an appropriate size of the simulation system, an ion at the a/w interface enhances the CW fluctuations. Furthermore, we discover that the characteristics of the waves governing these enhanced CW fluctuations ensure a significant decrease in the pressure-volume work causing the enthalpy decrease, while the same wave characteristics of the CWs become responsible for an entropy decrease. Overall, the paper revisits the free energy picture of this fundamental problem of ion adsorption at the a/w interface.
DOI：
10.1021/jp909219k
发表时间：
2010-02-11
期刊：
The journal of physical chemistry. B
影响因子：
--
作者：
Willard AP;Chandler D
通讯作者：
Chandler D
影响因子：
16.6
作者：
Mamatkulov, Shavkat I.;Allolio, Christoph;Bonthuis, Douwe Jan
通讯作者：
Bonthuis, Douwe Jan