论文标题
电解质溶液在多个长度尺度上不均匀的表面上的结构
Structure of electrolyte solutions at non-uniformly charged surfaces on a variety of length scales
论文作者
论文摘要
通过统一的经典密度功能理论（DFT）方法，在整个微观范围至宏观长度尺度的整个频谱中系统地研究了接近非均匀带电平面底物的稀释电解质溶液的结构。这与先前的研究相反，后者适用于短期或长度尺度。事实证明，与微观范围相互作用，例如由于流体分子和离子的硬核对电解质溶液的不均匀侧面结构的形成具有可忽略的影响。这部分证明了该系统先前研究中应用的Deby-Hückel近似方案。通常，横向和正常流体结构之间的耦合导致了这样的现象学，即在增加与底物的距离后，横向不均匀性的细节较小，导致流体结构，因此最终只有大规模表面特征才保持相关。可以预期，这张图还适用于以几个长度尺度为特征的其他流体。
The structures of dilute electrolyte solutions close to non-uniformly charged planar substrates are systematically studied within the entire spectrum of microscopic to macroscopic length scales by means of a unified classical density functional theory (DFT) approach. This is in contrast to previous investigations, which are applicable either to short or to long length scales. It turns out that interactions with microscopic ranges, e.g., due to the hard cores of the fluid molecules and ions, have negligible influence on the formation of non-uniform lateral structures of the electrolyte solutions. This partly justifies the Debye-Hückel approximation schemes applied in previous studies of that system. In general, a coupling between the lateral and the normal fluid structures leads to the phenomenology that, upon increasing the distance from the substrate, less details of the lateral non-uniformities contribute to the fluid structure, such that ultimately only large-scale surface features remain relevant. It can be expected that this picture also applies to other fluids characterized by several length scales.
