SKM 2023 – scientific programme

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 35: Poster Session II

CPP 35.54: Poster

Wednesday, March 29, 2023, 11:00–13:00, P1

Organisation of Nanoparticles with Polymer Brushes: Computer Simulation Studies — •Bhuwan Poudel, Hsiao-Ping Hsu, and Kurt Kremer — Max Planck Institute for Polymer Research, Mainz, Germany

For polymer brushes containing nanaoparticles, the interplay between concentration of nanoparticles and interaction between monomers and nanoparticles affects the ordering of nanoparticles and the structural and dynamical properties of the respective polymer brushes. We perform molecular dynamics simulations of polymer brushes based on the bead-spring model and treat nanoparticles as hard spheres with a diameter six times larger than the monomer size. Initially, nanoparticles are randomly distributed inside or above the polymer brushes. By tuning the attractive interaction between monomers and nanoparticles, we study the assembly of nanoparticles within the polymer brushes as a function of nanoparticle concentration. The appropriate choice of monomer-nanoparticle interaction and concentration of nanoparticles gives rise to a single (ordered) layers of nanoparticles whose equilibrium positions fluctuate within their diameters.