Dresden 2011 – wissenschaftliches Programm
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DY: Fachverband Dynamik und Statistische Physik
DY 21: Thermodynamics and Statistical Physics of Small Systems (contributed talks)
DY 21.6: Vortrag
Mittwoch, 16. März 2011, 13:00–13:15, HÜL 186
Effects of polymer grafting on the thermodynamic equilibrium behavior of single polymer adsorption — •Monika Möddel1, Wolfhard Janke1, and Michael Bachmann2 — 1Institut für Theoretische Physik, Universität Leipzig — 2Institut für Festkörperforschung, Theorie II, Forschungszentrum Jülich
The adsorption of single polymers onto flat attractive substrates has been the subject of several studies in the past. Especially for numerical studies of finite chains it is popular to consider the chain to be grafted, i.e. permanently attached to the substrate at one end. Compared to non-grafted polymer adsorption, translational entropy is strongly suppressed, and thus the phase space lacks completely desorbed conformations some distance away from the substrate. We systematically show how the competition between translational and conformational entropies changes the character of the adsorption transition. We present a comparison of the thermodynamic behavior of free and grafted chains for a range of different surface attraction strengths and temperatures. This is done by parallel tempering simulations of an off-lattice coarse-grained homopolymer [1] and a combined canonical and microcanonical analysis of energetic and steric observables.
[1] M. Möddel, M. Bachmann, and W. Janke, J. Phys. Chem. B 113, 3314 (2009); M. Möddel, W. Janke, and M. Bachmann, Phys. Chem. Chem. Phys. 12, 11548 (2010).