Nanoporous-crystalline (NC) forms, i.e. crystalline structure presenting nanocavities or nanochannels inside the crystalline lattice, are possible only for two polymers, both commercially available: syndiotactic polystyrene ...

The steric and the electronic environment are the fundamental parameters that define the catalytic properties of any active site. For late transition metal catalysts, they determine polymer molecular weight and branching ...

The research activity, described in this Ph. D. thesis, was dedicated to the development of a novel carbon black (CB) primary particle model, with accurate morphology, to be used in coarse-grained (CG) molecular dynamics ...

Polymers can crystallize in different crystalline forms; polymorphism is the term to indicate this ability. It is known that processing and physical properties of polymer-based materials are strongly affected by the ...

The main goal of this PhD thesis has been providing a computational support to the development of new or better performing catalysts, leading to the synthesis of new materials. In this context, it is worth remembering ...

Tires are annually manufactured in more than one billion of artefacts and the ever increasing demand is on the basis of the efforts in finding new solutions for more performant, sustainable and durable products. This PhD ...

This PhD thesis is framed in the European project CUSTOM, which aims to develop a small size device able to detect drug precursors molecules in the air, even when they are just in traces. The project is part of the ...

Aerogels are a unique class of materials characterized by a highly porous network, being attractive for many applications such as thermal and acoustic insulation, capacitors or catalysis. In more recent years, polymeric ...

The rule of the interface in systems including polymer composites and block-­‐ copolymer interacting with biomembrane has been investigated by computational approach. In particular, for the poly ...

La sintesi di materiali polimerici da metodo di modificazione, per ottenere le proprietà desiderate in polimeri, è un argomento importante in chimica dei polimeri e tecnologia. Molto spesso, proprietà desiderate non sono ...