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On the analysis and application of an ion size-modified Poisson–Boltzmann equation

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成果类型:
期刊论文
作者:
Li, Jiao;Ying, Jinyong*;Xie, Dexuan
通讯作者:
Ying, Jinyong
作者机构:
[Li, Jiao] Changsha Univ Sci & Technol, Sch Math & Stat, Hunan Prov Key Lab Math Modeling & Anal Engn, Changsha 410114, Hunan, Peoples R China.
[Ying, Jinyong] Cent S Univ, Sch Math & Stat, Changsha 410083, Hunan, Peoples R China.
[Xie, Dexuan] Univ Wisconsin, Dept Math Sci, Milwaukee, WI 53211 USA.
通讯机构:
[Ying, Jinyong] C
Cent S Univ, Sch Math & Stat, Changsha 410083, Hunan, Peoples R China.
语种:
英文
关键词:
Electrochemistry;Electrostatics;Free energy;Ions;Poisson equation;Electric double layer;Electrostatic free energy;Electrostatic solvation free energies;Ion size;Ion size effects;Ionic concentrations;Solution existence;Variational methods;Boltzmann equation
期刊:
Nonlinear Analysis: Real World Applications
ISSN:
1468-1218
年:
2019
卷:
47
页码:
188-203
基金类别:
The first author was supported by the National Natural Science Foundation of China (Grant No. 11501053) and the Foundation of Education Department of Hunan (Grant No. 15C0026), and Hunan Provincial Key Laboratory of Mathematical Modeling and Analysis in Engineering (Changsha University of Science & Technology). The second author was supported by the initiative research fund from Central South University and the National Natural Science Foundation of China (Grant No. 11701576). And the last author was partially supported by the National Science Foundation, USA, through grant DMS-1226259.
机构署名:
本校为第一机构
院系归属:
数学与统计学院
摘要:
In this paper, an improved electrostatic free energy functional is presented as an extension of the one proposed in Xie and Li (2015) to reflect ion size effects. It is then shown to have a unique minimizer, resulting in the solution existence and uniqueness of one commonly-used ion size-modified Poisson–Boltzmann equation (SMPBE). As for applications, SMPBE is used to calculate the electrostatic solvation free energy with the new derived well-defined formula and simulate an electric double layer numerically to demonstrate the advantage of SMP...

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