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具有位置相关介电常数的通用泊松-玻尔兹曼模型用于双电层分析。

A general Poisson-Boltzmann model with position-dependent dielectric permittivity for electric double layer analysis.

机构信息

School of Mechanical Engineering, Nanjing University of Science and Technology, Nanjing, 210094, China.

出版信息

Langmuir. 2011 May 3;27(9):5366-70. doi: 10.1021/la200596c. Epub 2011 Apr 8.

Abstract

In this paper, we propose a general Poisson-Boltzmann model for electric double layer (EDL) analysis with the position dependence of dielectric permittivity considered. This model provides physically reasonable property profiles in the EDL region, and it is then utilized to investigate the depletion layer effect on EDL structure and interaction near hydrophobic surfaces. Our results show that both the electric potential and the interaction pressure between surfaces decrease due to the lower permittivity in the depletion layer. The reduction becomes more profound at larger variation magnitude and range. This trend is in general agreement with that observed from the previous stepwise model; however, that model has overestimated the influence of permittivity variation effect. For the thin depletion layer and the relative thick EDL, our calculation indicates that the permittivity variation effect on EDL usually can be neglected. Furthermore, our model can be readily extended to study the permittivity variation in EDL due to ion accumulation and hydration in the EDL region.

摘要

在本文中,我们提出了一个考虑介电常数位置依赖性的通用泊松-玻尔兹曼模型,用于电动双层(EDL)分析。该模型在 EDL 区域提供了合理的物理性质分布,然后利用该模型研究了耗尽层对疏水表面附近 EDL 结构和相互作用的影响。结果表明,由于耗尽层中的介电常数较低,表面之间的电势和相互作用压力都会降低。这种减小在更大的变化幅度和范围下更为显著。这种趋势与先前的逐步模型观察到的结果一致;然而,该模型高估了介电常数变化效应的影响。对于薄的耗尽层和相对较厚的 EDL,我们的计算表明,EDL 中介电常数变化对 EDL 的影响通常可以忽略不计。此外,我们的模型可以很容易地扩展到研究由于离子在 EDL 区域的积累和水合作用而导致的 EDL 中介电常数的变化。

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