Regensburg 2016 – wissenschaftliches Programm

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 43: Poster: The Physics of Water Interactions with Biological Matter

CPP 43.11: Poster

Mittwoch, 9. März 2016, 18:15–21:00, Poster B2

Tracer diffusion in heterogeneous environments: Towards analytic fit functions — •Felix Roosen-Runge, Dominique Bicout, and Jean-Louis Barrat — Institut Laue-Langevin, Grenoble, France

Tracer diffusion in heterogeneous environments is a relevant and frequently studied phenomenon in experiment, simulation and theory. A paradigmatic example is water diffusion through hydration shells around biomacromolecules or membranes. Analytical fit functions for complex systems such as these are rare, although they would be an interesting means to connect conceptual ideas to experimental results. We report on an approach to recover effects of geometry and position-dependent diffusivity by approximate solutions well-suited for data fitting. We derive an analytical function for an isotropic motion switching between different diffusive states, and extend the approach towards anisotropic systems such as layer structures. Finally, we discuss the challenges, limitations and potentials of the outlined method for data analysis integrating experimental and theoretical knowledge.