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MODIFIED POISSON-NERNST-PLANCK MODEL WITH ACCURATE COULOMB CORRELATION IN VARIABLE MEDIA
Liu, Pei1,2,3; Ji, Xia4,5; Xu, Zhenli6,7
2018
Source PublicationSIAM JOURNAL ON APPLIED MATHEMATICS
ISSN0036-1399
Volume78Issue:1Pages:226-245
AbstractWe derive a set of modified Poisson-Nernst-Planck (PNP) equations for ion transport from the variation of the free energy functional which includes the many-body Coulomb correlation in media of variable dielectric coefficient. The correlation effects are considered through the Debye charging process in which the self energy of an ion is governed by the generalized Debye-Huckel equation. We develop the asymptotic expansions of the self energy taking the ion radius as the small parameter such that the multiscale model can be solved efficiently by numerical methods. It is shown that the variations of the energy functional give the self-energy-modified PNP equations which satisfy a proper weak formulation. We present numerical results from different asymptotic expansions with a semi-implicit conservative numerical method and investigate the effect of the Coulomb correlation.
Keywordcharge transport ion correlation continuum theory for electrostatics asymptotic expansion Green's function Poisson-Nernst-Planck equations
DOI10.1137/16M110383X
Language英语
Funding ProjectNatural Science Foundation of China[11571236] ; Natural Science Foundation of China[91130012] ; Natural Science Foundation of China[11271018] ; Natural Science Foundation of China[91630313] ; Central Organization Department of China ; HPC Center of SJTU ; National Center for Mathematics and Interdisciplinary Science at CAS
WOS Research AreaMathematics
WOS SubjectMathematics, Applied
WOS IDWOS:000426747800011
PublisherSIAM PUBLICATIONS
Citation statistics
Cited Times:5[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.amss.ac.cn/handle/2S8OKBNM/29744
Collection计算数学与科学工程计算研究所
Affiliation1.Shanghai Jiao Tong Univ, Sch Math Sci, Shanghai 200240, Peoples R China
2.Shanghai Jiao Tong Univ, Inst Nat Sci, Shanghai 200240, Peoples R China
3.Penn State Univ, Dept Math, University Pk, PA 16802 USA
4.Chinese Acad Sci, Acad Math & Syst Sci, Inst Computat Math, LSEC, Beijing 100190, Peoples R China
5.Chinese Acad Sci, Acad Math & Syst Sci, Inst Computat Math, NCMIS, Beijing 100190, Peoples R China
6.Shanghai Jiao Tong Univ, Inst Nat Sci, Sch Math Sci, Shanghai 200240, Peoples R China
7.Shanghai Jiao Tong Univ, MoE Key Lab Sci & Engn Comp, Shanghai 200240, Peoples R China
Recommended Citation
GB/T 7714
Liu, Pei,Ji, Xia,Xu, Zhenli. MODIFIED POISSON-NERNST-PLANCK MODEL WITH ACCURATE COULOMB CORRELATION IN VARIABLE MEDIA[J]. SIAM JOURNAL ON APPLIED MATHEMATICS,2018,78(1):226-245.
APA Liu, Pei,Ji, Xia,&Xu, Zhenli.(2018).MODIFIED POISSON-NERNST-PLANCK MODEL WITH ACCURATE COULOMB CORRELATION IN VARIABLE MEDIA.SIAM JOURNAL ON APPLIED MATHEMATICS,78(1),226-245.
MLA Liu, Pei,et al."MODIFIED POISSON-NERNST-PLANCK MODEL WITH ACCURATE COULOMB CORRELATION IN VARIABLE MEDIA".SIAM JOURNAL ON APPLIED MATHEMATICS 78.1(2018):226-245.
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