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Identifier 000378412
Title Θεωρητική μελέτη αλληλεπίδρασης πολυμερών με νανοϋλικά
Alternative Title A theoretical study on the interaction of polymers with nanomaterials
Author Βασιλάκης, Νικόλαος Εμμ.
Thesis advisor Φρουδάκης, Γεώργιος
Τρικαλύτης, Παντελής
Αναστασιάδης, Σπυρίδων
Abstract The properties of nano-composites polymer matrix are of particular importance in modern construction and modern technology. The polymer matrix nanocomposites with embedded carbon nanotubes as a reinforcing material are particularly interesting materials with many applications, replacing many traditional materials. The purpose of this thesis is to study the interactions between carbon nanotube and simulation models of the polymer chain in order to draw conclusions about the production of new improved plastic products with higher mechanical strength and improved optical properties. The study carried out with the aid of quantum calculations using the methods of electron density functional and semi empirical calculations which are based on the theory Hartree - Fock. During the course of this work was to study the interaction with carbon nanotube polyethylene using quantum mechanics methods. Understanding the nature of these interactions and finding their power was the main objective of this work. For this purpose studies of systems koroneniou - ethylene, ethane, propylene, nanotube 5,5 - ethylene, ethane, propylene, nanotube 7.7 - ethylene, ethane, propylene with method dft achieved, and then study of systems convex koroneniou, nanotube 5.5 and 7.7, and 5.5 elongate with ethylene, ethane, propylene and simulation models of the polymer chain of polyethylene with semi empirical methods fulfilled.
Language Greek
Issue date 2013-02-04
Collection   Faculty/Department--Faculty of Sciences and Engineering--Department of Chemistry--Post-graduate theses
  Type of Work--Post-graduate theses
Permanent Link https://elocus.lib.uoc.gr//dlib/f/8/5/metadata-dlib-1359964976-452542-19443.tkl Bookmark and Share
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