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

doi:10.1137/16M110383X

	MODIFIED POISSON-NERNST-PLANCK MODEL WITH ACCURATE COULOMB CORRELATION IN VARIABLE MEDIA
	Liu, Pei 1,2,3; Ji, Xia4,5 ; Xu, Zhenli 6,7
	2018
发表期刊	SIAM JOURNAL ON APPLIED MATHEMATICS
ISSN	0036-1399
卷号	78 期号:1 页码:226-245
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.
关键词	charge transport ion correlation continuum theory for electrostatics asymptotic expansion Green's function Poisson-Nernst-Planck equations
DOI	10.1137/16M110383X
语种	英语
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
WOS类目	Mathematics, Applied
WOS记录号	WOS:000426747800011
出版者	SIAM PUBLICATIONS
引用统计
文献类型	期刊论文
条目标识符	http://ir.amss.ac.cn/handle/2S8OKBNM/29744
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.