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Effect of the surface charge discretization on electric double layers. A Monte Carlo simulation study

机译:表面电荷离散化对双电层的影响。蒙特卡洛模拟研究

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摘要

The structure of the electric double layer in contact with discrete and continuously charged planar surfaces is studied within the framework of the primitive model through Monte Carlo simulations. Three different discretization models are considered together with the case of uniform distribution. The effect of discreteness is analyzed in terms of charge density profiles. For point surface groups,a complete equivalence with the situation of uniformly distributed charge is found if profiles are exclusively analyzed as a function of the distance to the charged surface. However, some differences are observed moving parallel to the surface. Significant discrepancies with approaches that do not account for discreteness are reported if charge sites of finite size placed on the surface are considered.
机译:通过蒙特卡洛模拟,在原始模型的框架内研究了与离散且连续充电的平面接触的双电层的结构。考虑均匀分布的情况,可以考虑三种不同的离散化模型。根据电荷密度分布分析了离散的影响。对于点表面组,如果仅根据到带电表面的距离来分析轮廓,则发现与电荷均匀分布的情况完全等效。但是,观察到一些平行于表面移动的差异。如果考虑到表面上大小有限的电荷位点,则报告了无法解决离散性的方法之间的显着差异。

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