Dresden 2017 – wissenschaftliches Programm
CPP 27.3: Vortrag
Dienstag, 21. März 2017, 14:30–14:45, ZEU 114
Azobenzene-containing surfactants and their association with poly(methacrylic acid) at nanometer scale — •Maria Montagna1, Markus Koch1,2, and Olga Guskova1,3 — 1Leibniz-Institute of Polymer Research Dresden, Hohe Str. 6, 01069 Dresden — 2Institute of Theoretical Physics, Technische Universität Dresden, 01069 Dresden — 3Dresden Center for Computational Materials Science (DCMS), TU Dresden, 01062 Dresden
Light-responsive hybrid materials have been considered in several recent investigations due to their promising applications in different fields, e.g. Biomedicine and Nanotechnology. One of them is azobenzene (azo), an organic chromophore which shows a reversible isomerization process between its trans- and cis-states driven by light excitation. Furthermore, the addition of this photosensitive molecule to synthetic or biological polyelectrolytes allows for remote control of the chain conformation and consequently causes changes of the polymer functional properties. We present a study on the electrostatic interaction between the azobenzene-containing surfactants and poly(methacrylic acid) by means of an atomistic computational approach. More specifically, we used a density functional theory and classical molecular dynamics simulations to look into the structural, spectroscopic and association properties of azo-polymer complexes in order to rationalize recent experimental results on the manipulation of polymer brushes modified by photosensitive molecules.
The financial support from DFG (GU 1510/3-1) is highly appreciated.