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Title | Glass Transition Temperature of Cross-Linked Epoxy Polymers: a Molecular Dynamics Study |
Authors |
Arab, B.
Shokuhfar, A. Ebrahimi-Nejad, S. |
ORCID | |
Keywords |
Cross linking Epoxy polymers Glass transition temperature Molecular dynamics |
Type | Conference Papers |
Date of Issue | 2012 |
URI | http://essuir.sumdu.edu.ua/handle/123456789/35102 |
Publisher | Sumy State University |
License | |
Citation | Arab, B. Glass Transition Temperature of Cross-Linked Epoxy Polymers: a Molecular Dynamics Study [Текст] / B. Arab, A. Shokuhfar, S. Ebrahimi-Nejad // Nanomaterials: Applications & Properties (NAP-2012) : 2-nd International conference, Alushta, the Crimea, September 17-22, 2012 / Edited by: A. Pogrebnjak. - Sumy : Sumy State University, 2012. - V.1, No1. - 01NDLCN11 |
Abstract |
Recently, epoxy polymers have been used in different applications and research fields due to their superior properties. In this study, the classical molecular dynamics (MD) was used to simulate formation of
the epoxy polymer from cross linking of the EPON 828 with DETA curing agent, and calculate the glass
transition temperature (Tg) of the material. A series of MD simulations were independently carried out on
the cross-linked epoxy polymer in a range of temperatures from 600 K down to 250 K, and the density of
the materials was calculated at the end of each run. Through the linear fitting between temperature and
density above and below the glass transition temperature, Tg was estimated. The glass transition temperature of the pure DGEBA were also estimated through the same procedure and compared with those of the
cross-linked polymer. Molecular simulations revealed significant increase in Tg of the cross-linked epoxy
polymer as a result of newly created covalent bonds between individual chains.
When you are citing the document, use the following link http://essuir.sumdu.edu.ua/handle/123456789/35102 |
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princon_2012_1_1_60.pdf | 263.02 kB | Adobe PDF | 872451313 |
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