期刊
JOURNAL OF CHEMICAL PHYSICS
卷 145, 期 12, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.4962832
关键词
-
资金
- U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering at Argonne National Laboratory [DE-AC02-06CH11357, DOE-SC0008631]
Charged dielectric spheres embedded in a dielectric medium provide the simplest model for many-body systems of polarizable ions and charged colloidal particles. We provide a multiple scattering formulation for the total electrostatic energy for such systems and demonstrate that the polarization energy can be rapidly evaluated by an image method that generalizes the image methods for conducting spheres. Individual contributions to the total electrostatic energy are ordered according to the number of polarized surfaces involved, and each additional surface polarization reduces the energy by a factor of (a/R)(3) epsilon, where a is the sphere radius, R the average inter-sphere separation, and. the relevant dielectric mismatch at the interface. Explicit expressions are provided for both the energy and the forces acting on individual spheres, which can be readily implemented in Monte Carlo and molecular dynamics simulations of polarizable charged spheres, thereby avoiding costly computational techniques that introduce a surface charge distribution that requires numerical solution. Published by AIP Publishing.
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