Dresden 2009 – wissenschaftliches Programm

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 42: Polymer Physics IV

CPP 42.6: Vortrag

Freitag, 27. März 2009, 11:45–12:00, ZEU 160

Scaling and scattering analysis for bottle-brush polymers in solutions — •Hsiao-Ping Hsu, Wolfgang Paul, and Kurt Binder — Institut für Physik, Johannes Gutenberg-Universität Mainz, Staudinger Weg 7, D-55099 Mainz, Germany

Bottle-brush polymers with a rigid backbone and flexible side chains are studied in a good solvent and a theta solvent by extensive Monte Carlo simulations. Varying the side chain length, backbone length, and the grafting density, the scaling behavior of the radius of gyration, end-to-end distance, radial density profiles of monomers and side chain ends are estimated and checked with the previous theoretical predictions [1]. In order to compare our results with experimental scattering data, the structure factors describing the scattering from a single side chain and from the total bottle-brush polymer are also estimated. Our simulations include two sets of data: (1) To describe the structure of a very long bottle-brush polymer, a periodic boundary condition along the backbone is used. (2) To describe effects due to the finiteness of the backbone, free ends of the backbone are considered in our simulations. In the latter case, the inhomogeneity of the structure in the direction along the backbone is carefully investigated. A detailed analysis of radial density profile and the total scattering of a bottle-brush are given [2].

[1] H.-P. Hsu, W. Paul, and K. Binder, Macromol. Theory & Simul. 16, 660 (2007).

[2] H.-P. Hsu, W. Paul, and K. Binder, J. Chem. Phys. 129, 204904 (2008).