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Mesoscale Modeling of Carbon Black/Polymer Interfaces: Linking Atomistic and Coarse-Grained Particle-Field Representations
(Universita degli studi di Salerno, 2020-02-11)
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 ...
Towards new catalysts for polymerization of ethylene and copolymerization of ethylene with carbon monoxide: a rational design approach
(Universita degli studi di Salerno, 2023-03-10)
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 ...