The Dielectric Boundary Force in Molecular Solvation of the Generalized Poisson–Boltzmann Equation with Ionic Sizes

DOI10.1142/s0219876222500608OpenAlexW4312219360MaRDI QIDQ6173088

Weifeng Chen, Qingxia Zhang, Xinping Shao, Mingyan He, Zheng-Fang Zhang

Publication date: 21 July 2023

Published in: International Journal of Computational Methods (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1142/s0219876222500608

zbMATH Keywords

electrostatic free energydielectric boundary forcegeneralized Poisson-Boltzmann equationthe first variationionic size

Mathematics Subject Classification ID

Optics, electromagnetic theory (78-XX) Statistical mechanics, structure of matter (82-XX)

Cites Work

• Applied functional analysis. Functional analysis, Sobolev spaces and elliptic differential equations
• Gradient estimates for solutions to divergence form elliptic equations with discontinuous coefficients
• Elliptic partial differential equations of second order
• Numerical optimization of low eigenvalues of the Dirichlet and Neumann laplacians
• The calculus of boundary variations and the dielectric boundary force in the Poisson-Boltzmann theory for molecular solvation
• Poisson-Nernst-Planck equations for simulating biomolecular diffusion-reaction processes. I: Finite element solutions
• Shapes and Geometries
• Shape Derivative of Drag Functional
• Dielectric Boundary Force in Molecular Solvation with the Poisson–Boltzmann Free Energy: A Shape Derivative Approach
• Continuum electrostatics for ionic solutions with non-uniform ionic sizes
• Minimization of Electrostatic Free Energy and the Poisson–Boltzmann Equation for Molecular Solvation with Implicit Solvent
• Modified Poisson–Boltzmann equations and macroscopic forces in inhomogeneous ionic fluids

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