Glass transition and structural properties of glycidyloxypropyl-heptaphenyl polyhedral oligomeric silsesquioxane-epoxy nanocomposites

Po-Han Lin, Rajesh Khare

Research output: Contribution to journalArticle

Abstract

We have used molecular simulations to study the properties of nanocomposites formed by the chemical incorporation of polyhedral oligomeric silsesquioxane (POSS) particles in the cross-linked epoxy network. The particular POSS molecule chosen-glycidyloxypropyl-heptaphenyl POSS-can form only one bond with the cross-linker and thus was present as a dangling unit in the network. Four epoxy-POSS nanocomposites containing different fractions (up to 30 mass/%) of POSS particles were studied in this work. Well-relaxed atomistic model structures of the nanocomposites were created and then molecular dynamics simulations were used to characterize the density, glass transition temperature (T (g)), and the coefficient of volume thermal expansion (CVTE) of the systems. In addition to the effect of nanoparticle loading, the effect of nanoparticle chemistry on the nanocomposite properties was also characterized by comparing these results with our previous results (Lin and Khare, Macromolecules 42:431
Original languageEnglish
Pages (from-to)461-467
JournalJournal of Thermal Analysis and Calorimetry
StatePublished - Nov 2010

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