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Polymer blends consisting of two or more polymers are important for a widevariety of industries and processes, but, the precise mechanism of theirthermomechanical behaviour is incompletely understood. In order to understandclearly, it is essential to determine the miscibility and interactions betweenthe components in polymer blend and its macroscopic thermomechanicalproperties. In this study, we performed experiments on SEBS and isotactic PPblends (SP) as well as molecular dynamics simulations, aiming to know the roleplayed by molecular interactions on the thermomechanical properties. Toinvestigate the glass transition temperature (Tg) of SEBS, PP and their blendsat different ratio, the unit cell of the polymer molecular structure of eachwas established. The LAMMPS molecular dynamics method was used to predict thedensity, specific volume, free volume, enthalpy, kinetic energy, potentialenergy and bond energy. The (Tg) s of the SEBS, PP and SP blends were predictedby analysing these properties. Interestingly, the simulated values of the Tg ofSEBS, PP and their blends showed good agreement with our experimental resultsobtained from dynamic mechanical analysis (DMA). This technique used in thiswork can be used in studying glass transition of other complex polymer blends.

Thermomechanical properties of polypropylene and styrene-ethylene-butylene-styrene blends: a molecular simulation and experimental study