From Atomistic Modeling of Macromolecules Toward Equations of State for Polymer Solutions and Melts: How Important Is the Accurate Description of the Local Structure?

For designing the properties of polymeric materials one often uses multicomponent systems (polymer blends, copolymers of various architectures, etc.), and in the process of making them solvents play a key role. This is particularly true when nucleation processes are considered. Structure formation processes may occur, which start out at the nanometer scale but create nontrivial structures on mesoscopic scales up to 100 µm. A good example of high industrial relevance is the creation

of polymeric foam materials (by using polystyrene in supercritical carbon dioxide as a solvent for instance).