384219 Effect of Network Structure on the Mechanical Properties of Poly(dicyclopentadiene): A Molecular Simulation Study

Thursday, November 20, 2014: 9:15 AM
International 10 (Marriott Marquis Atlanta)
Robert M. Elder, Daniel B. Knorr Jr., Joseph Lenhart, Jan Andzelm and Timothy W. Sirk, U.S. Army Research Laboratory, Aberdeen Proving Ground, MD

Dicyclopentadiene (DCPD) has attracted attention as an inexpensive industrial byproduct that can be catalytically cross-linked into a robust polymer network that is resistant to corrosion and impact. Depending on the type of catalyst and on reaction conditions, the mechanical and thermal properties of cross-linked DCPD vary, likely due to differences in the nanoscale structure of the network (e.g., cross-link density, ratio of cis/trans isomers, cross-linking mechanism, local heterogeneity). Using atomistic molecular dynamics simulations, we investigate how several characteristics of the nanoscale network structure affect the macroscale thermal and mechanical properties of cross-linked poly(DCPD).

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See more of this Session: Polymer Networks and Gels
See more of this Group/Topical: Materials Engineering and Sciences Division