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电介质长椭球体内点电荷的静电势。

Electrostatic potential of point charges inside dielectric prolate spheroids.

作者信息

Deng Shaozhong

机构信息

Department of Mathematics and Statistics, University of North Carolina at Charlotte, Charlotte, NC 28223-0001, USA.

出版信息

J Electrostat. 2008;66(11-12):549-560. doi: 10.1016/j.elstat.2008.06.003.

DOI:10.1016/j.elstat.2008.06.003
PMID:19798422
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2754751/
Abstract

The exact solution to an electrostatic problem of finding the electric potential of point charges inside a dielectric prolate spheroid is discussed in this note by using the classical electrostatic theory, where the prolate spheroid is embedded in a dissimilar dielectric medium. Such a problem may find its application in hybrid solvent biomolecular simulations, in which biomolecules and a part of solvent molecules within a dielectric cavity are explicitly modeled while a surrounding dielectric continuum is used to model bulk effects of the solvent beyond the cavity. Numerical experiments have demonstrated the convergence of the proposed series solutions.

摘要

本笔记利用经典静电理论讨论了一个静电问题的精确解,即求嵌入不同介电介质中的电介质长椭球体内点电荷的电势。这样的问题可能在混合溶剂生物分子模拟中有应用,其中介电腔内的生物分子和一部分溶剂分子被明确建模,而周围的介电连续介质用于模拟腔外溶剂的体效应。数值实验证明了所提出的级数解的收敛性。

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本文引用的文献

1
Evaluation of Poisson solvation models using a hybrid explicit/implicit solvent method.使用混合显式/隐式溶剂法评估泊松溶剂化模型。
J Phys Chem B. 2005 Mar 24;109(11):5223-36. doi: 10.1021/jp046377z.
2
An efficient hybrid explicit/implicit solvent method for biomolecular simulations.
J Comput Chem. 2004 Dec;25(16):1967-78. doi: 10.1002/jcc.20119.