Poisson-Boltzmann theory with non-linear ion correlations
文献类型：期刊论文
| 作者 | Su, M1,2; Xu, ZJ; Wang, YT
|
| 刊名 | JOURNAL OF PHYSICS-CONDENSED MATTER
 |
| 出版日期 | 2019 |
| 卷号 | 31期号:35页码:355101 |
| 关键词 | ELECTRIC-DOUBLE-LAYER INTEGRAL-EQUATION ELECTROLYTES INVERSION |
| ISSN号 | 0953-8984 |
| DOI | 10.1088/1361-648X/ab24a9 |
| 英文摘要 | The Poisson-Boltzmann (PB) theory is widely used to depict ionic systems. As a mean-field theory, the PB theory neglects the correlation effect in the ionic atmosphere and leads to deviations from experimental results as the concentration or charge valance increases. A modified PB theory including ion correlation effect while retaining its simplicity is critical for many important applications in which ion correlation effect can be significant. In this paper, we present a new model to incorporate ion correlations into the original PB equation by utilizing the Green's function with a non-linear form of the self-energy, which is different from the linear self-energy equation obtained by the field-theoretic (FT) approach. Both equations are solved numerically and compared with our molecular dynamics (MD) simulation. The co-ion distribution calculated by the FT approach deviates significantly from the MD simulation, while our results for both counter-ion and co-ion distributions are justified by the MD simulation. |
| 学科主题 | Physics |
| 语种 | 英语 |
| 源URL | [http://ir.itp.ac.cn/handle/311006/23402]  |
| 专题 | 理论物理研究所_理论物理所1978-2010年知识产出 计算平台成果 |
| 作者单位 | 1.Univ Chinese Acad Sci, Sch Phys Sci, 19A Yuquan Rd, Beijing 100049, Peoples R China 2.Chinese Acad Sci, Inst Theoret Phys, CAS Key Lab Theoret Phys, 55 East Zhongguancun Rd,POB 2735, Beijing 100190, Peoples R China 3.Pacific Northwest Natl Lab, Computat Math Grp, Richland, WA 99352 USA |
| 推荐引用方式 GB/T 7714 | Su, M,Xu, ZJ,Wang, YT. Poisson-Boltzmann theory with non-linear ion correlations[J]. JOURNAL OF PHYSICS-CONDENSED MATTER,2019,31(35):355101. |
| APA | Su, M,Xu, ZJ,&Wang, YT.(2019).Poisson-Boltzmann theory with non-linear ion correlations.JOURNAL OF PHYSICS-CONDENSED MATTER,31(35),355101. |
| MLA | Su, M,et al."Poisson-Boltzmann theory with non-linear ion correlations".JOURNAL OF PHYSICS-CONDENSED MATTER 31.35(2019):355101. |
入库方式： OAI收割
来源：理论物理研究所
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