arXivDaily arXiv每日学术速递 周一至周五更新
arXiv 2203.00583cond-mat.mes-hallphysics.app-phphysics.chem-phphysics.comp-ph
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具有空间复杂性的固液界面双电层模型

Modeling of electric double layer at solid-liquid interface with spatial complexity

Cherq Chua, Chun Yun Kee, L. K. Ang, Yee Sin Ang

摘要:

双电层(EDL)是电极与电解质溶液接触时形成的,广泛应用于生物物理学、电化学、聚合物溶液和能量存储等领域。Poisson-Boltzmann(PB)耦合方程为模拟EDL处的电势和电荷分布提供了基本框架。在这项工作中,基于分数阶微积分,我们重新制定PB方程(有和没有空间效应)通过引入一个现象参数$D$(与0和1之间的值),以占空间的复杂性,由于在EDL中的杂质。研究了不同$D$的电位和离子电荷分布。在$D$ = 1时,模型恢复了理想EDL的经典结果。电位在$D <$ 1处缓慢衰减,因此表明在空间复杂性存在下,在固定表面电位下饱和层的更宽区域。这里开发的分数空间广义模型提供了一个有用的工具,占空间复杂性的影响,而不是在经典的全维模型。

英文摘要:

Electrical double layer (EDL) is formed when an electrode is in contact with an electrolyte solution, and is widely used in biophysics, electrochemistry, polymer solution and energy storage. Poisson-Boltzmann (PB) coupled equations provides the foundational framework for modeling electrical potential and charge distribution at EDL. In this work, based on fractional calculus, we reformulate the PB equations (with and without steric effects) by introducing a phenomenal parameter $D$ (with a value between 0 and 1) to account for the spatial complexity due to impurities in EDL. The electrical potential and ion charge distribution for different $D$ are investigated. At $D$ = 1, the model recover the classical findings of ideal EDL. The electrical potential decays slowly at $D <$1, thus suggesting a wider region of saturated layer under fixed surface potential in the presence of spatial complexity. The fractional-space generalized model developed here provides a useful tool to account for spatial complexity effects which are not captured in the classic full-dimensional models.

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