(247al) Still Looking for the Magic Spot: Dispersing Modified Fe2O3 in Lamellar PS-PMMA Diblock Copolymer By Vapor-Annealing Deposition Conference: AIChE Annual MeetingYear: 2015Proceeding: 2015 AIChE Annual MeetingGroup: Computational Molecular Science and Engineering ForumSession: Poster Session: Computational Molecular Science and Engineering Forum (CoMSEF) Time: Monday, November 9, 2015 - 6:00pm-8:00pm Authors: Posocco, P., University of Trieste Mohamed, Y., Barandiaran, I., Zweyer, M., Baldini, G., University of Trieste Laurini, E., Institute of Oncology Research Fermeglia, M., University of Trieste Kortaberria, G., Pricl, S., University of Trieste Polymer-based nanocomposites (PNCs) have gained popularity in the last two decades due to their exciting bulk and surface properties. However, the current bottleneck for the exploitation of the theoretical excellent properties of PNCs is the complete dispersion of the nanoparticles in the matrix and the consequent development of a huge interfacial area. This complete dispersion will allow maximizing the available matrix–particle interphase optimizing then the organic–inorganic interaction, responsible of the enhanced properties of the final material. So, most of the research efforts in this area have been focused on developing rational processing strategies for PNCs and in promoting better matrix–particle interactions. In this scenario, we present our combined experimental/computational approach to the dispersion of modified Fe2O3 nanoparticles in a lamellar PS-PMMA copolymeric matrix. Specifically, we synthesized and characterized several of these PNCs at different nanoparticle concentrations; contextually, multiscale molecular simulations were employed to predict their phase behavior.