화학공학소재연구정보센터
Korea-Australia Rheology Journal, Vol.16, No.4, 201-212, December, 2004
Modeling of rheological behavior of nanocomposites by Brownian dynamics simulation
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Properties of polymer based nanocomposites depend on dispersion state of embedded fillers. In order to examine the effect of dispersion state on rheological properties, a new bi-mode FENE dumbbell model was proposed. The FENE dumbbell model includes two separate ensemble sets of dumbbells with different friction coefficients, which simulate behavior of well dispersed and aggregated carbon nanotubes (CNTs). A new parameter indicating dispersion state of the CNT was proposed to account for degree of dispersion quantitatively as well as qualitatively. Rheological material functions in elongational, steady shear, and oscillatory shear flows were obtained numerically. The CNT/epoxy nanocomposites with different dispersion state were prepared depending on whether a solvent is used for the dispersion of CNTs or not. Dispersion state of the CNT in the epoxy nanocomposites was morphologically characterized by the field emission scanning electronic microscope and the transmission electron microscope images. It was found that the numerical prediction was in a good agreement with experimental results especially for steady state shear flow.
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