分子力学および分子動力学法を用いた溶融高分子間の界面相互作用力評価

抄録

The internal morphology and the viscoelastic properties of polymer blends and polymer alloys are strongly influenced by the interfacial interaction between molten polymers.
The interfacial interaction energy between two molten incompatible polymers was estimated using molecular mechanics and molecular dynamics. The calculated energy values correlate very well with the measured interfacial tensions. This calculation method was applied to the polypropylene (PP) and the poly (ethylene-co-propylene) (EP) systems to investigate the effects of the sequence difference of the copolymer. The interfacial interaction energy in the system of the PP and the EP with poly (ethylene-alt-propylene) ([E₁-P₁]_n), is stronger than in the system of [E₁₀-P₁₀]_n. This implies that the former is more soluble with PP than the latter. The temperature dependence of the interfacial interaction energy was also predicted by this calculation method.