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

✍ Scribed by Zhenli Xu; Shaozhong Deng; Wei Cai

• Book ID: 104021901
• Publisher: Elsevier Science
• Year: 2009
• Tongue: English
• Weight: 336 KB
• Volume: 228
• Category: Article
• ISSN: 0021-9991
• DOI: 10.1016/j.jcp.2008.11.023

✦ Synopsis

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 bio-molecular solvation.