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首页> 外文期刊>The Journal of Chemical Physics >Electrolyte solutions at curved electrodes. II. Microscopic approach
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Electrolyte solutions at curved electrodes. II. Microscopic approach

机译：弯曲电极处的电解质溶液。 II。 微观方法

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摘要

Density functional theory is used to describe electrolyte solutions in contact with electrodes of planar or spherical shape. For the electrolyte solutions, we consider the so-called civilized model, in which all species present are treated on equal footing. This allows us to discuss the features of the electric double layer in terms of the differential capacitance. The model provides insight into the microscopic structure of the electric double layer, which goes beyond the mesoscopic approach studied in Paper I. This enables us to judge the relevance of microscopic details, such as the radii of the particles forming the electrolyte solutions or the dipolar character of the solvent particles, and to compare the predictions of various models. Similar to Paper I, a general behavior is observed for small radii of the electrode in that in this limit the results become independent of the surface charge density and of the particle radii. However, for large electrode radii, non-trivial behaviors are observed. Especially the particle radii and the surface charge density strongly influence the capacitance. From the comparison with the Poisson-Boltzmann approach, it becomes apparent that the shape of the electrode determines whether the microscopic details of the full civilized model have to be taken into account or whether already simpler models yield acceptable predictions. Published by AIP Publishing.
机译：密度功能理论用于描述与平面或球形的电极接触的电解质溶液。对于电解质溶液，我们考虑所谓的文明模型，其中存在的所有物种都在平等的基础上进行处理。这允许我们在差分电容方面讨论电双层的特征。该模型提供了进入电双层的微观结构的洞察，这远远超出了在纸上研究的介观方法I.这使我们能够判断显微镜细节的相关性，例如形成电解质溶液或偶极颗粒的半径溶剂颗粒的特征，并比较各种模型的预测。与纸张I类似，对于电极的小半径观察到一般行为，因为在该限制中，结果变得与表面电荷密度和颗粒半径无关。然而，对于大电极半径，观察到非琐碎行为。特别是粒子半径和表面电荷密度强烈影响电容。从与Poisson-Boltzmann方法的比较来看，显而易见的是，电极的形状决定了是否必须考虑完整文明模型的微观细节或是否已经更简单的模型产生可接受的预测。通过AIP发布发布。

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