Molecular dynamics studies of the thermodynamics of HDPE/butene-based LLDPE blends

Hildebrand solubility parameters (δ) at elevated temperatures were computed for models of high-density polyethylene (HDPE) and a series of butene-based linear low-density polyethylene (b-LLDPE) with different branch contents using molecular dynamics simulation. And the δ values were then used to calculate the corresponding Flory–Huggins interaction parameter (χ) between HDPE and various b-LLDPE models. The results indicate that the level of...