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	Image Approximations to Electrostatic Potentials in Layered Electrolytes/Dielectrics and an Ion-Channel Model
	Lin, Huimin ; Xu, Zhenli ; Tang, Huazhong ; Cai, Wei
	2012
关键词	Poisson-Boltzmann equation Layered electrolytes and dielectrics Method of images Ion channels Hybrid explicit/implicit solvent models POISSON-BOLTZMANN EQUATION DIELECTRIC SPHERE REACTION FIELD SOLVATION MODEL CHARGE METHOD SIMULATIONS BIOLOGY SYSTEM FORCES
英文摘要	Image charge approximations are developed for electric potentials in the Poisson-Boltzmann theory in inhomogeneous media consisting of dielectrics or electrolyte solutions such as the layered structure in a membrane or cylindrical ion-channels. The image charges are obtained either by a least square fitting between the potential of unknown images and the exact reaction potential (for the layered media or cylindrical region) or by a Prony fitting to the Fourier transform of the exact potential (layered media only) and a Sommerfeld-type identity, which yields the locations and strengths of the image charges. Next, combining the results for the two geometries, the image charge approximation for the reaction potential, due to a charge inside an ion-channel model, is obtained, which accounts for the polarization of the region outside the ion-channel (consisting of a membrane and electrolyte solutions below and above). Such an approximation to the reaction field in the ion-channel model can be used for an explicit/implicit hybrid treatment of electrostatics interaction in modeling ion-channels. Numerical tests show that the proposed method has an attractive performance in computing electrostatic interactions of source charges inside the ion-channel model via a simple summation of pairwise interactions among source and image charges.; Mathematics, Applied; SCI(E); EI; 1; ARTICLE; 2; 249-267; 53
语种	英语
出处	SCI ; EI
出版者	journal of scientific computing
内容类型	其他
源URL	[http://hdl.handle.net/20.500.11897/157511]
专题	数学科学学院
推荐引用方式 GB/T 7714	Lin, Huimin,Xu, Zhenli,Tang, Huazhong,et al. Image Approximations to Electrostatic Potentials in Layered Electrolytes/Dielectrics and an Ion-Channel Model. 2012-01-01.

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