Berlin 2018 – wissenschaftliches Programm

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 32: Poster Session II

CPP 32.2: Poster

Dienstag, 13. März 2018, 14:00–16:00, Poster B

Poisson-Boltzmann Cell Model for Swelling of Macroscopic Polymer Gels — •Jonas Landsgesell, Patrick Kreissl, and Christian Holm — Institute for Computational Physics Universität Stuttgart Allmandring 3 70569 Stuttgart Germany

Polymer gels can swell tremendously when exposed to aqueous solutions. Recent experiments and theoretical work showed that polymer gels can even be used to desalinate sea water. In this context adequate modeling of the free energy is important for predicting e.g. the energetic costs for desalinating sea water. For an improved energetic description we developed a Poisson-Boltzmann (PB) model for polymer gels. This model allows e.g. the prediction of the the swelling equilibrium of charged polyelectrolyte gels via solving numerically the PB cell model in the presence of salt. We compare the results of the cell model with previous results of Molecular Dynamics simulations.