4.7 Article

Electrostatic correlations in electrolytes: Contribution of screening ion interactions to the excess chemical potential

期刊

JOURNAL OF CHEMICAL PHYSICS
卷 155, 期 22, 页码 -

出版社

AIP Publishing
DOI: 10.1063/5.0068521

关键词

-

资金

  1. National Research, Development and Innovation Office [NKFIH K124353]

向作者/读者索取更多资源

The new theory MCSA for the electrostatic component of the chemical potential in homogeneous electrolytes models interactions between ions' screening clouds, contributing substantially at molar concentrations and being accurate even in low dielectric constants. Different from Debye-Huckel and MSA theories, the MCSA has simpler formulas and is qualitatively more accurate, especially when there is ion size asymmetry.
A new theory for the electrostatic component of the chemical potential for homogeneous electrolytes modeled with the primitive model is developed. This Mean Countershell Approximation (MCSA) is an analytic theory derived by including the interactions between the ions' screening clouds. At molar concentrations, these contribute substantially to the excess chemical potential but are absent in classical Debye-Huckel and Mean Spherical Approximation (MSA) theories. Simulations show that the MCSA is highly accurate, including at the low dielectric constants of ionic liquids. While sharing a mathematical framework with the MSA, the MCSA has simpler formulas and is qualitatively more accurate when there is ion size asymmetry.

作者

我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。

评论

主要评分

4.7
评分不足

次要评分

新颖性
-
重要性
-
科学严谨性
-
评价这篇论文

推荐

暂无数据
暂无数据