Compatibility study for polymer blends based on MesoDyn calculations

Mesoscopic Dynamic (MesoDyn) density function simulation was used to study the compatibility of polymer blends. The mesoscale model for two systems, PMMA/PVC and PP/PA6, were set up. The free energy, enthalpy, entropy, order parameters and density profiles were got from the simulation. The results showed that the free energy density keeps constant negative value for PMMA/PVC system and positive value for PP/PA6 system. The order parameter is much less than 0.1 for PMMA/PVC and about 0.19 for PP/PA6. Phase separation behavior was not observed during the whole simulation time for PMMA/PVC model. But phase separation behavior was emerged in the density fields of PP/PA6 blends. These showed that PMMA and PVC is miscible, while PP and PA6 is not. The mesoscale simulation results were confirmed with experiments.