International Conference on Information Technology and Computer Science, 3rd (ITCS 2011)
17 Molecular Dynamics and Mesoscopic Simulation for the Miscibility of Polypropylene/Polyamide-11 Blends
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The miscibility of Polypropylene (PP)/Polyamide-11 (PA11) blends (with the weight ratio at 10/90, 30/70, 50/50, 70/30 and 90/10) are investigated by atomistic molecular dynamics (MD) and mesoscopic dynamic (MesoDyn) simulations. The Flory—Huggins parameters χ and the radial distribution functions of the inter-molecular atoms suggest that PP/PA11 90/10 blend was more miscible. The order parameter computed for different blends can also predict the blend miscibility, and at PP/PA11 90/10 blend, partial miscibility was observed. The morphologies of this study were correlated well with the reported data.