Image charge approximations of reaction fields in solvents with arbitrary ionic strength

Authors:
Zhenli Xu;Shaozhong Deng;Wei Cai
Affiliations:
Department of Mathematics and Statistics, University of North Carolina at Charlotte, Charlotte, NC 28223-0001, United States;Department of Mathematics and Statistics, University of North Carolina at Charlotte, Charlotte, NC 28223-0001, United States;Department of Mathematics and Statistics, University of North Carolina at Charlotte, Charlotte, NC 28223-0001, United States
Venue:
Journal of Computational Physics
Year:
2009

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Abstract

In this paper, we report a new development of image charge approximations of reaction fields for a charge inside a dielectric spherical cavity immersed in an ionic solvent with arbitrary ionic strength. This new development removes the requirement of low ionic strength of the solvent in a previous result [S. Deng, W. Cai, Extending the fast multipole method for charges inside a dielectric sphere in an ionic solvent: high-order image approximations for reaction fields, J. Comput. Phys. 227 (2007) 1246-1266], thus extending the applicability of the image charge approximations of reaction fields in the modeling of biomolecular solvation.