Chemical functionalization of carbon nanotubes (CNTs) has been suggested as a strategy for strengthening the interfacial interactions (and therefore improving the extent of dispersion of CNTs), and improving the load transfer between the CNTs and polymer matrices in nanocomposites.  In previous work, we found that the poor interfacial interactions between pristine single-walled CNTs and cross-linked epoxy matrices have a tendency to cause a depression in the glass transition temperature (Tg) of their nanocomposite compared to the neat cross-linked epoxy, especially when the CNTs are well-dispersed.  In this work, we use molecular simulations to determine the effect of functionalization of the CNTs on the Tg of the nanocomposite by focusing on its volumetric and dynamical properties.  The key advantage of molecular simulations lies in the ability to independently vary the functionalization of CNTs, while controlling the extent of the CNT dispersion and the degree of conversion of the matrix.

Effect of functionalization of carbon nanotubes on glass transition in cross-linked epoxy – carbon nanotube nanocomposites: Role of strengthening the interfacial interactions

245th National Meeting (2013)

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