论文标题
限制电解质溶液的异质表面电荷
Heterogeneous surface charge confining an electrolyte solution
论文作者
论文摘要
在基本度量理论（FMT）的方法中，通过经典密度功能理论（DFT）研究了稀释电解质溶液的结构，该结构通过经典密度功能理论（DFT）研究了空间不均匀的表面电荷分布。对于电解质溶液，这些不均匀性的影响特别强，因为相应的特征长度尺度是Debye长度，与分子大小相比，它很大。在这里，进行了全面的三维研究，该研究明确说明了溶剂颗粒，从而深入了解了由离子溶剂耦合引起的影响。本研究引入了一个多功能框架，以分析甚至超出线性响应制度的广泛类型的表面电荷异质性。这揭示了流体成分的数量密度曲线和静电电位的敏感依赖性，以及在小尺度下的表面电荷模式的细节。
The structure of dilute electrolyte solutions close to a surface carrying a spatially inhomogeneous surface charge distribution is investigated by means of classical density functional theory (DFT) within the approach of fundamental measure theory (FMT). For electrolyte solutions the influence of these inhomogeneities is particularly strong because the corresponding characteristic length scale is the Debye length, which is large compared to molecular sizes. Here a fully three-dimensional investigation is performed, which accounts explicitly for the solvent particles, and thus provides insight into effects caused by ion-solvent coupling. The present study introduces a versatile framework to analyze a broad range of types of surface charge heterogeneities even beyond the linear response regime. This reveals a sensitive dependence of the number density profiles of the fluid components and of the electrostatic potential on the magnitude of the charge as well as on details of the surface charge patterns at small scales.
