(382f) Precise Ordering of Block Copolymer Grafted Nanoparticles: Coarse-Grained Simulations

Nanoparticles may be added to polymers to improve mechanical, thermal, or optical properties of the resulting nanocomposite, but fine control over nanoparticle arrangement and interfacial state is necessary for these systems to reach their ultimate potential. By grafting block copolymers to nanoparticles, precise arrangement of nanoparticles may be achieved. Using a coarse-grained model, we study the effect of graft length and density on the thermodynamics and kinetics of the ordering of these particles. To what degree can increased graft length offset graft density? How densely can particles pack and still order? A critical graft density below which particle ordering slows dramatically and which is independent of graft length is found. The effect of block volume fraction on the resulting morphologies and the spacing of particles are also investigated and a phase diagram is produced. Results are qualitatively matched with a silicon oxide nanoparticle and polystyrene-b-poly(methyl methacrylate) graft system.