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限制条件对带电胶体间静电相互作用的影响:超球几何下的(N,V,T)蒙特卡洛研究

Influence of confinement on the electrostatic interaction between charged colloids: a (N,V,T) Monte Carlo study within hyperspherical geometry.

作者信息

Delville A

机构信息

CRMD, CNRS, 1B rue de la Férollerie, 45071 Orléans Cedex 02, France.

出版信息

J Phys Chem B. 2005 Apr 28;109(16):8164-70. doi: 10.1021/jp044711l.

DOI:10.1021/jp044711l
PMID:16851954
Abstract

Monte Carlo simulations within closed hyperspherical geometry are used to analyze the ionic distribution around two confined charged colloids to determine the origin of the net attraction recently reported in the literature. A scaling procedure is used to compare our numerical results obtained with small ideal colloids with the conclusion of the measurements performed with large silica colloids. Although no electrostatic attraction is detected under confinement, our simulations exhibit a significant reduction of the electrostatic repulsion between charged colloids confined between two weakly charged walls. After rescaling to reproduce the electrostatic repulsion between large confined colloids, our numerical results are qualitatively consistent with the reported attraction because we reasonably expect a reduction of the electrostatic force between such confined colloids below the order of magnitude of their van der Waals attraction.

摘要

在封闭超球面几何结构内进行蒙特卡罗模拟,以分析两个受限带电胶体周围的离子分布,从而确定文献中最近报道的净吸引力的来源。采用一种标度程序,将我们用小理想胶体获得的数值结果与用大二氧化硅胶体进行测量的结论进行比较。虽然在受限条件下未检测到静电吸引力,但我们的模拟显示,在两个弱带电壁之间受限的带电胶体之间的静电排斥力显著降低。在重新标度以再现大受限胶体之间的静电排斥力后,我们的数值结果在定性上与报道的吸引力一致,因为我们合理地预期,这种受限胶体之间的静电力会降低到其范德华吸引力量级以下。

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