Mellin transform and image charge method for dielectric sphere in an electrolyte

DOI10.1137/120894348zbMATH Open1290.78006arXiv1210.2180OpenAlexW2082715675MaRDI QIDQ2862271FDOQ2862271

Authors: Zhenli Xu, Yihao Liang, Xiangjun Xing 

Publication date: 14 November 2013

Published in: SIAM Journal on Applied Mathematics (Search for Journal in Brave)

Abstract: We revisit the image charge method for the Green's function problem of the Poisson-Boltzmann equation for a dielectric sphere immersed in ionic solutions. Using finite Mellin transformation, we represent the reaction potential due to a source charge inside the sphere in terms of one dimensional distribution of image charges. The image charges are generically composed of a point image at the Kelvin point and a line image extending from the Kelvin point to infinity with an oscillatory line charge strength. We further develop an efficient and accurate algorithm for discretization of the line image using Pad'e approximation and finite fraction expansion. Finally we illustrate the power of our method by applying it in a multiscale reaction-field Monte Carlo simulation of monovalent electrolytes.

Full work available at URL: https://arxiv.org/abs/1210.2180

Recommendations

• Extending the fast multipole method for charges inside a dielectric sphere in an ionic solvent: high-order image approximations for reaction fields
• New versions of image approximations to the ionic solvent induced reaction field
• Image approximations to electrostatic potentials in layered electrolytes/dielectrics and an ion-channel model
• Image charge methods for a three-dielectric-layer hybrid solvation model of biomolecules
• GENERAL THEORY OF ELECTRICAL IMAGES IN SPHERE PAIRS

zbMATH Keywords

fast algorithmGreen's function[https://portal.mardi4nfdi.de/w/index.php?title=+Special%3ASearch&search=Pad%EF%BF%BD%EF%BF%BD+approximation&go=Go Pad�� approximation]Poisson-Boltzmann equationfinite Mellin transformfinite fraction expansionmultiscale reaction-field model

Mathematics Subject Classification ID

Electro- and magnetostatics (78A30) Numerical methods for integral transforms (65R10) Motion of charged particles (78A35) Statistical mechanics of liquids (82D15) Electrochemistry (78A57) Monte Carlo methods applied to problems in optics and electromagnetic theory (78M31)

Cited In (6)

• A fast solver for boundary integral equations of the modified Helmholtz equation
• Efficient implementation of the Barnes-Hut octree algorithm for Monte Carlo simulations of charged systems
• Harmonic Surface Mapping Algorithm for Electrostatic Potentials in an Atomistic/Continuum Hybrid Model for Electrolyte Solutions
• Image charge approximations of reaction fields in solvents with arbitrary ionic strength
• A GPU-based large-scale Monte Carlo simulation method for systems with long-range interactions
• On the method of images for systems of closely spaced conducting spheres

This page was built for publication: Mellin transform and image charge method for dielectric sphere in an electrolyte

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q2862271)