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MODIFIED POISSON-NERNST-PLANCK MODEL WITH ACCURATE COULOMB CORRELATION IN VARIABLE MEDIA

文献类型：期刊论文

作者Liu, Pei1,2,3; Ji, Xia4,5; Xu, Zhenli6,7
刊名SIAM JOURNAL ON APPLIED MATHEMATICS
出版日期2018
卷号78期号:1页码:226-245
关键词charge transport ion correlation continuum theory for electrostatics asymptotic expansion Green's function Poisson-Nernst-Planck equations
ISSN号0036-1399
DOI10.1137/16M110383X
英文摘要We 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.
资助项目Natural 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研究方向Mathematics
语种英语
WOS记录号WOS:000426747800011
出版者SIAM PUBLICATIONS
源URL[http://ir.amss.ac.cn/handle/2S8OKBNM/29743]  
专题计算数学与科学工程计算研究所
通讯作者Liu, Pei
作者单位1.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
推荐引用方式
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.

入库方式： OAI收割

来源：数学与系统科学研究院

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