Controlling the sub-molecular motions to increase the glass transition temperature of polymers

Autor:	Priya V. Parandekar, Sumit Basu, Om Prakash, Nisanth N. Nair, Thomas K. Tsotsis, Sudharsan Pandiyan
Rok vydání:	2014
Předmět:	chemistry.chemical_classification Molecular dynamics Materials science chemistry Chemical physics Polymer chemistry Molecular motion General Physics and Astronomy Polymer Physical and Theoretical Chemistry Glass transition
Zdroj:	Chemical Physics Letters. 593:24-27
ISSN:	0009-2614
DOI:	10.1016/j.cplett.2013.12.076
Popis:	Employing atomistic molecular dynamics (MD) simulations, we scrutinize the relationship between sub-molecular motions in a glassy polymer and its glass-transition temperature ( T g ). This molecular understanding allows us to modify the polymer to manipulate atomistic motions, thereby controlling the glass transition temperature. We demonstrate this using a high performance polymer, HFPE-30, which has applications in aerospace industry. Control over sub-molecular motion is achieved by chemical substitution and it leads to increase in the glass transition temperature without affecting its mechanical properties. The approach laid out here could pave a way to achieve highly cross-linked high temperature polymers with better thermo-chemical stability.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::e8e463237127789548dab9c57a9008df https://doi.org/10.1016/j.cplett.2013.12.076 Zobrazit plný text záznamu Full Text from ScienceDirect