Crystallography‎ > ‎Math‎ > ‎

Poisson-Boltzmann

The Poisson-Boltzmann equation (PBE), is one of the most widespread models for the evaluation of electrostatic properties:


This is a second-order nonlinear elliptic partial differential equation that relates the electrostatic potential (ϕ) to the dielectric properties of the solute and solvent (ε), the ionic strength of the solution and the accessibility of ions to the solute interior (𝛋^2), and the distribution of solute atomic partial charges (f).