PRISMA
Development and Application of Multiscale Methods for the Simulation of Polymer Nanoparticles Dispertions: From Electrons to Rheology
Due to the industrial and technological relevance of the subject, the modeling of nanoparticle-polymer blends has attracted intense scrutiny. The phase behavior, as well as size-dependence of the properties of these systems are challenging to predict because of computational difficulty in accessing the relevant length and time scales. The aim of the present project is to develop a multiscale approach, based on the complementary expertises of the research groups involved, to this problem.
We are developing an effective multiscale approach by bridging between the electron, the atomistic, the mesocale and a macroscopic scale in order to contribute to the clarification of some fundamental questions in this field.
The project has been financed by INSTM (consorzio Interuniversitario Nazionale per la Scienza e Tecnologia dei Materiali)