Integral equation study of effective attraction between like-charged particles mediated by cations: Comparison between IPY2 and HNC closures

Integral equation study of effective attraction between like-charged particles mediated by cations: Comparison between IPY2 and HNC closures
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DOI：
10.1209/0295-5075/ac94f5
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发表时间：
2022-06
期刊：
Europhysics Letters
影响因子：
--
通讯作者：
M. Takeda;K. Maruyama;R. Akiyama;T. Miyata
M. Takeda;K. Maruyama;R. Akiyama;T. Miyata
中科院分区：
其他
文献类型：
--
作者：
M. Takeda;K. Maruyama;R. Akiyama;T. Miyata

文献摘要

相似文献

利用超网状链(HNC)-Ornstein-Zernike （OZ）和离子percusy - yevick 2 (IPY2)-OZ两种积分方程理论计算了沉浸在电解质溶液中的类带电粒子之间的有效相互作用。采用HNC-OZ理论时，有效相互作用的电解质浓度依赖性表现为可重入行为。相比之下，IPY2-OZ理论并没有表明这种行为。对其中一个模型系统进行了蒙特卡罗模拟，结果与使用HNC-OZ理论计算的结果定性地一致。
Effective interactions between like-charged particles immersed in an electrolyte solution were calculated using two integral equation theories, hypernetted-chain (HNC)-Ornstein-Zernike (OZ) and ionic Percus-Yevick 2 (IPY2)-OZ. When the HNC-OZ theory was adopted, the electrolyte concentration dependence of the effective interaction showed a reentrant behavior. By contrast, the IPY2-OZ theory did not indicate the behavior. Monte Carlo simulations were performed for one of the model systems, and the results agreed qualitatively with those calculated using the HNC-OZ theory.