Dresden 2017 – wissenschaftliches Programm

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 16: Poster: Modelling and Simulation of Soft Matter

CPP 16.5: Poster

Montag, 20. März 2017, 18:30–21:00, P1C

DPD study of Polymer Ring Brushes — •Martin Jehser1,2 and Christos N. Likos21Department of Physical Chemisrty, University of Vienna, Ausrtia — 2Faculty of Physics, University of Vienna, Ausrtia

Recently, experimental methods have been developed allowing the production of well defined surface-grafted polymer nanoparticle systems without free chain-ends [1], i.e., grafted polymer loops or rings. In the present investigation, equivalent situations are studied making use of computer simulations based on Dissipative Particle Dynamics [2,3] (DPD) a highly efficient, coarse grained, method smoothly covering the range from several nanometers up to the mesoscale region. In order to reproduce the behaviour of adsorbed polymers in addition to the conservative forces an attractive interaction between one (or in case of loops both) chain end(s) and a surface, represented by a soft wall, are introduced as well. Aim of the study is the comparison of properties of loops and rings to those of trails as functions of surface coverage free chain concentration and particle distance.

The results show that with increasing grafting density, loops and rings become more and more rodlike in structure and increase the layer thickness in the same way as linear chains do. A rise in concentration of free polymer chains results into a compression of the brush.

[1] R. Rotzoll, P. Vana, Journal of Polymer Science Part A: Polymer Chemistry 46, 7656 (2008) [2] R.D. Groot, P.B. Warren, J. Chem. Phys. 107, 4423 (1997) [3] M.M. Nardai, G. Zifferer, J. Chem. Phys. 131, 124903 (2009)

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