论文标题
带电界面处的极性液体：偶极壳理论
Polar Liquids at Charged Interfaces: A Dipolar Shell Theory
论文作者
论文摘要
界面处的极性液体和电解溶液（例如水和水溶液）的结构是物理，化学，生物学和工程中许多现象的基础。在这项工作中，我们开发了一种连续理论，该理论从电荷界面处的极性液体（包括电荷和质量振荡）捕获了介电筛选的基本特征，从溶剂的分子特性开始。该理论预测了先前在分子动力学模拟中研究的界面极性液体的各向异性介电张量。我们探讨了界面极性液体性质对电极/电解质界面电容的影响以及两个平面平行极化表面之间的水合力。在线性响应近似中，我们获得了界面处分子和离子谱的特征衰减长度的简单公式。
The structure of polar liquids and electrolytic solutions, such as water and aqueous electrolytes, at interfaces underlies numerous phenomena in physics, chemistry, biology, and engineering. In this work, we develop a continuum theory that captures the essential features of dielectric screening by polar liquids at charged interfaces, including oscillations in charge and mass, starting from the molecular properties of the solvent. The theory predicts an anisotropic dielectric tensor of interfacial polar liquids previously studied in molecular dynamics simulations. We explore the effect of the interfacial polar liquid properties on the capacitance of the electrode/electrolyte interface and on hydration forces between two plane-parallel polarized surfaces. In the linear response approximation, we obtain simple formulas for the characteristic decay lengths of molecular and ionic profiles at the interface.
