Combined experimental and simulation study of the cure kinetics of DCPD

The cure kinetics of dicyclopentadiene was investigated using a combination of inelastic light scattering measurements and molecular-scale simulations. Concurrent Brillouin and Raman scattering served to monitor the structural evolution of the curing network as a function of time, both in terms of n...

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Bibliographic Details
Published in:Journal of composite materials 2011-08, Vol.45 (18), p.1827-1835
Main Authors: Aldridge, Michael, Shankar, Chandreshekar, Changgua Zhen, Lang Sui, Kieffer, John, Caruso, Mary, Moore, Jeff
Format: Article
Language:English
Subjects:
Applied sciences
Chemical reactions and properties
Cures
Density functional theory
Evolution
Exact sciences and technology
Fundamental areas of phenomenology (including applications)
Mathematical analysis
Modulus of elasticity
Monitors
Networks
Organic polymers
Physicochemistry of polymers
Physics
Simulation
Solid mechanics
Static elasticity (thermoelasticity...)
Structural and continuum mechanics
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Summary:The cure kinetics of dicyclopentadiene was investigated using a combination of inelastic light scattering measurements and molecular-scale simulations. Concurrent Brillouin and Raman scattering served to monitor the structural evolution of the curing network as a function of time, both in terms of network connectivity and the concentration of chemical species present. Density functional theory calculations were used to interpret the measured Raman spectra. Comparison of the measured elastic moduli as a function of the degree of cure with those of structures generated using reactive molecular dynamics simulations provide insight into the reaction mechanism. An unexpected dependence of the reaction rate on the catalyst concentration was found.
ISSN:0021-9983
1530-793X
DOI:10.1177/0021998310387683