论文标题

阳离子介导的类似带电粒子之间有效吸引的积分方程研究:IPY2和HNC封闭之间的比较

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

论文作者

Takeda, Michika, Maruyama, Kotetsu, Akiyama, Ryo, Miyata, Tatsuhiko

论文摘要

使用两种积分方程理论,超链链(HNC)-Ornstein-ornstein--沸点(OZ)和离子percus-yevick-yevick 2(ipy2)-oz来计算浸入电解质溶液中的类似电荷颗粒之间的有效相互作用。当采用HNC-oz理论时,有效相互作用的电解质浓度依赖性显示出重进入行为。相比之下,ipy2-oz理论并未表明行为。对其中一个模型系统进行了蒙特卡洛模拟,结果与使用HNC-OZ理论计算的结果一致。

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.

扫码加入交流群

加入微信交流群

微信交流群二维码

扫码加入学术交流群,获取更多资源