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首页> 外文期刊>The Journal of Chemical Physics >SCREENING OF ION-ION CORRELATIONS IN ELECTROLYTE SOLUTIONS ADSORBED IN ELECTRONEUTRAL DISORDERED MATRICES OF CHARGED PARTICLES - APPLICATION OF REPLICA ORNSTEIN-ZERNIKE EQUATIONS
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SCREENING OF ION-ION CORRELATIONS IN ELECTROLYTE SOLUTIONS ADSORBED IN ELECTRONEUTRAL DISORDERED MATRICES OF CHARGED PARTICLES - APPLICATION OF REPLICA ORNSTEIN-ZERNIKE EQUATIONS

机译：带电粒子的电离无序矩阵中吸附的电解质溶液中离子相关性的筛选-REPNICA ORNSTEIN-ZERNIKE方程的应用

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The replica Ornstein-Zernike (ROZ) equations for an ionic fluid adsorbed in an electroneutral, disordered matrix of ions were applied to a model where both ionic subsystems were presented as point charges interacting only via Coulomb forces. The effects of fluid (electrolyte) and matrix concentration on the screening of the ion-ion interactions in the fluid phase were investigated. The effects of the prequenching conditions were also examined. It was shown that augmenting the matrix concentration promotes attraction between equally charged ions and repulsion between ions of opposite sign. This peculiar behavior, observed first in the simulation study of Bratko and Chakraborty [J. Chem. Phys. 104, 7700 (1996)], follows straightforwardly from the ROZ equations. Moreover, we generalized the expression for the disorder averaged ion-ion potential for an arbitrary fluid concentration and prequenching conditions. In addition to these results, which are consistent with computer studies, we present some new results that have not been observed in simulations. For example, alternating ionic ordering, generated by the influence of the charged matrix was observed. This contribution can be considered as a first step toward a study of primitive model electrolytes adsorbed in disordered matrices of hard-sphere ions. The solution of this problem will be presented elsewhere. (C) 1997 American Institute of Physics. [References: 24]
机译：将吸附在电中性无序离子矩阵中的离子流体的复制品Ornstein-Zernike（ROZ）方程应用于模型，其中两个离子子系统均被表示为仅通过库仑力相互作用的点电荷。研究了流体（电解质）和基质浓度对筛选液相中离子-离子相互作用的影响。还检查了预淬火条件的影响。结果表明，增加基质浓度可促进等价离子之间的吸引和相反符号离子之间的排斥。这种特殊的行为，首先在Bratko和Chakraborty的模拟研究中观察到[J。化学物理104，7700（1996）]，直接从ROZ方程得出。此外，我们推广了在任意流体浓度和预淬火条件下无序平均离子电势的表达式。除了这些与计算机研究一致的结果外，我们还提供了一些在仿真中未观察到的新结果。例如，观察到由于带电基质的影响而产生的交替离子排序。这种贡献可以被认为是研究吸附在硬球离子无序基质中的原始模型电解质的第一步。该问题的解决方案将在其他地方介绍。 （C）1997美国物理研究所。 [参考：24]

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