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两个带电球形分子之间的静电相互作用。

Electrostatic interaction between two charged spherical molecules.

作者信息

Ohshima H, Mishonova E, Alexov E

机构信息

Faculty of Pharmaceutical Sciences and Institute of Colloid and Interface Science, Science University of Tokyo, Shinjuku-ku, Tokyo 162, Japan.

出版信息

Biophys Chem. 1996 Jan;57(2-3):189-203. doi: 10.1016/0301-4622(95)00056-1.

Abstract

An explicit analytic expression is obtained for the electrostatic energy of the interaction between two ion-impenetrable space-charged hard spheres as a model for spherical molecules in an electrolyte solution on the basis of the linearized Poisson-Boltzmann equation. An explicit expression for the potential distribution in a 3D-space is also found. The polarization effects due to the mutual influence between the spheres are taken into account. The analysis is done by assuming different dielectric permittivities of the respective spheres and of the solution as well. It is shown that the correction terms in the expression for the total energy of interaction arising from the polarization effects always correspond to forces of attraction between the spheres. The contribution of these terms to the total energy of interaction depends on the distance between the two spheres and the dielectric permittivities of the spheres and the solution as well as on the electrolyte concentration in the solution. A numerical simulation of the potential field topography is carried out at several values of the Debye-Hückel parameter. It is shown that the polarization effect can produce significant changes in the potential distribution in the case of strong interacting spheres.

摘要

基于线性化泊松-玻尔兹曼方程,得到了两个离子不可穿透的空间电荷硬球之间相互作用的静电能的显式解析表达式,以此作为电解质溶液中球形分子的模型。还找到了三维空间中电势分布的显式表达式。考虑了球体之间相互影响引起的极化效应。通过假设各个球体以及溶液具有不同的介电常数来进行分析。结果表明,由极化效应产生的相互作用总能量表达式中的修正项总是对应于球体之间的吸引力。这些项对相互作用总能量的贡献取决于两个球体之间的距离、球体和溶液的介电常数以及溶液中的电解质浓度。在德拜-休克尔参数的几个值下对势场形貌进行了数值模拟。结果表明,在强相互作用球体的情况下,极化效应会使电势分布产生显著变化。

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