浓缩电解质随频率变化的电导率:随机密度泛函理论

Haggai Bonneau, Yael Avni, David Andelman, Henri Orland
{"title":"浓缩电解质随频率变化的电导率:随机密度泛函理论","authors":"Haggai Bonneau, Yael Avni, David Andelman, Henri Orland","doi":"arxiv-2408.17427","DOIUrl":null,"url":null,"abstract":"The response of ionic solutions to time-varying electric fields, quantified\nby a frequency-dependent conductivity, is essential in many electrochemical\napplications. Yet, it constitutes a challenging problem due to the combined\neffect of Coulombic interactions, hydrodynamics, and thermal fluctuations.\nHere, we study the frequency-dependent conductivity of ionic solutions using a\nstochastic density functional theory. In the limit of small concentrations, we\nrecover the classical Debye and Falkenhagen (DF) result, predicting an increase\nin conductivity with field frequency. At higher concentrations, we use a\nmodified Coulomb interaction potential that accounts for the hard-core\nrepulsion between the ions, which was recently employed in the zero-frequency\ncase. Consequently, we extend the DF result to concentrated electrolytes. We\ndiscuss experimental and numerical studies and the complexity of observing the\nDF effect in such setups.","PeriodicalId":501304,"journal":{"name":"arXiv - PHYS - Chemical Physics","volume":null,"pages":null},"PeriodicalIF":0.0000,"publicationDate":"2024-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Frequency-Dependent Conductivity of Concentrated Electrolytes: A Stochastic Density Functional Theory\",\"authors\":\"Haggai Bonneau, Yael Avni, David Andelman, Henri Orland\",\"doi\":\"arxiv-2408.17427\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"The response of ionic solutions to time-varying electric fields, quantified\\nby a frequency-dependent conductivity, is essential in many electrochemical\\napplications. Yet, it constitutes a challenging problem due to the combined\\neffect of Coulombic interactions, hydrodynamics, and thermal fluctuations.\\nHere, we study the frequency-dependent conductivity of ionic solutions using a\\nstochastic density functional theory. In the limit of small concentrations, we\\nrecover the classical Debye and Falkenhagen (DF) result, predicting an increase\\nin conductivity with field frequency. At higher concentrations, we use a\\nmodified Coulomb interaction potential that accounts for the hard-core\\nrepulsion between the ions, which was recently employed in the zero-frequency\\ncase. Consequently, we extend the DF result to concentrated electrolytes. We\\ndiscuss experimental and numerical studies and the complexity of observing the\\nDF effect in such setups.\",\"PeriodicalId\":501304,\"journal\":{\"name\":\"arXiv - PHYS - Chemical Physics\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2024-08-30\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"arXiv - PHYS - Chemical Physics\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/arxiv-2408.17427\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"arXiv - PHYS - Chemical Physics","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/arxiv-2408.17427","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0

摘要

在许多电化学应用中,离子溶液对时变电场的响应(通过随频率变化的电导率进行量化)至关重要。然而,由于库仑相互作用、流体力学和热波动的综合影响,这构成了一个具有挑战性的问题。在这里,我们利用随机密度泛函理论研究了离子溶液随频率变化的电导率。在小浓度极限下,我们利用经典的德拜和法尔肯哈根(DF)结果,预测电导率随场频率的增加而增加。在浓度较高的情况下,我们使用了修正的库仑相互作用势,该势考虑了离子间的硬排斥力,这是最近在零频率情况下使用的。因此,我们将 DF 结果扩展到了高浓度电解质。我们讨论了实验和数值研究,以及在这种情况下观察 DF 效应的复杂性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Frequency-Dependent Conductivity of Concentrated Electrolytes: A Stochastic Density Functional Theory
The response of ionic solutions to time-varying electric fields, quantified by a frequency-dependent conductivity, is essential in many electrochemical applications. Yet, it constitutes a challenging problem due to the combined effect of Coulombic interactions, hydrodynamics, and thermal fluctuations. Here, we study the frequency-dependent conductivity of ionic solutions using a stochastic density functional theory. In the limit of small concentrations, we recover the classical Debye and Falkenhagen (DF) result, predicting an increase in conductivity with field frequency. At higher concentrations, we use a modified Coulomb interaction potential that accounts for the hard-core repulsion between the ions, which was recently employed in the zero-frequency case. Consequently, we extend the DF result to concentrated electrolytes. We discuss experimental and numerical studies and the complexity of observing the DF effect in such setups.
求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
自引率
0.00%
发文量
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信