Regensburg 2019 – wissenschaftliches Programm

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 59: Composites and Functional Polymer Hybrids

CPP 59.6: Vortrag

Donnerstag, 4. April 2019, 16:45–17:00, H8

Disentangling the mechanical properties of polymer grafted nanoparticles — •Jiarul Midya and Arash Nikoubashman — Institute for Physics, Johannes Gutenberg University Mainz, Staudingerweg 7, 55128 Mainz, Germany

Polymer grafted nanoparticles are promising materials with a wide range of applications in drug delivery, gas transport, photonic and electric materials. The mechanical properties of such materials can be controlled through the volume fraction and distribution of the nanoparticles, which can be achieved by changing the degree of polymerization of the grafted chains and their grafting density. Previous studies have tried to explain the elastic properties of nanocomposite materials through the effective medium theory, which relates the elastic modulus directly to the volume fractions of the hard nanoparticles and of the soft polymer matrix. However, recent experiments have shown significant variations of the elastic modulus for nanocomposites with the same volume fractions but different grafting densities and chain lengths. This behavior can not be explained by the existing effective medium theory. To investigate the origin of this effect we have performed molecular dynamics (MD) simulations. We demonstrate that the chain conformations play a crucial role for the elastic modulus of the nanocomposite, a contribution which has not been taken into account in the effective medium theory.