Coarse-Grained Molecular Dynamics Simulation of Silica-Polystyrene Nanocomposite.
Technische Universität, Darmstadt
[Ph.D. Thesis], (2012)
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|Item Type:||Ph.D. Thesis|
|Title:||Coarse-Grained Molecular Dynamics Simulation of Silica-Polystyrene Nanocomposite|
The addition of micron sized inorganic filler particles to the polymeric materials is a well known reinforcement method in composite production. Polymers reinforced with the nanoscale particles,known as nanocomposite materials (NCMs), have greater interaction with the filler particles, due to their enormous surface, and show vastly improved properties. The clear explanation of the origin of this improvement in the properties of the NCMs, compared to the conventional composites, is still missing. Polymer behaviour is modified “near” the filler particle surface, forming a so-called “interphase” region, which in turn can affect the overall properties of the NCM. The present PhD thesis is part of a large international research programme, NanoModel, in which academic and industrial partners from six different countries contributed. The ultimate aim of the project was to achieve a unified picture of the polymer behaviour in the interphase region of NCMs, considering the theoretical and experimental viewpoints and results. Such an understanding of the polymer-filler interaction and its controlling parameters and ultimate effects on the composite behaviour would improve the industrial design of the polymer NCMs.
|Place of Publication:||Darmstadt|
|Classification DDC:||500 Naturwissenschaften und Mathematik > 540 Chemie|
|Divisions:||07 Fachbereich Chemie > Physical Chemistry|
|Date Deposited:||13 Jul 2012 16:21|
|Last Modified:||07 Dec 2012 12:05|
|Referees:||Müller-Plathe, Prof. Dr. Florian and Van der Vegt, Prof. Dr. Nico|
|Refereed:||7 May 2012|