Title of article :
Image charge approximations of reaction fields in solvents with arbitrary ionic strength
Author/Authors :
Xu، نويسنده , , Zhenli and Deng، نويسنده , , Shaozhong and Cai، نويسنده , , Wei، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2009
Pages :
8
From page :
2092
To page :
2099
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.
Keywords :
78M25 , 92C40 , Method of images , 65N99 , Reaction field , Electrostatic Interaction , Poisson–Boltzmann equation , Hybrid explicit/implicit solvation models
Journal title :
Journal of Computational Physics
Serial Year :
2009
Journal title :
Journal of Computational Physics
Record number :
1481293
Link To Document :
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