Dresden 2009 – wissenschaftliches Programm

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 39: POSTERS Colloids and Liquids

CPP 39.5: Poster

Donnerstag, 26. März 2009, 17:00–19:30, P3

A Simple and Robust Solver for the Poisson-Boltzmann Equation — Manuel Baptista, •Roman Schmitz, and Burkhard Duenweg — Max-Planck-Institut fuer Polymerforschung, Mainz

A variational approach is used to develop a robust numerical procedure for solving the nonlinear Poisson-Boltzmann equation. Following Maggs et al., we construct an appropriate constrained free energy functional, such that its Euler-Lagrange equations are equivalent to the Poisson-Boltzmann equation. We then develop, implement, and test an algorithm for its numerical minimization, which is quite simple and unconditionally stable. The analytic solution for planar geometry is used for validation. Furthermore, some results are presented for a charged colloidal sphere surrounded by counterions. --- See also arXiv:0810.0490v1