  Polymer blends consisting of two or more polymers are important for a wide
variety of industries and processes, but, the precise mechanism of their
thermomechanical behaviour is incompletely understood. In order to understand
clearly, it is essential to determine the miscibility and interactions between
the components in polymer blend and its macroscopic thermomechanical
properties. In this study, we performed experiments on SEBS and isotactic PP
blends (SP) as well as molecular dynamics simulations, aiming to know the role
played by molecular interactions on the thermomechanical properties. To
investigate the glass transition temperature (Tg) of SEBS, PP and their blends
at different ratio, the unit cell of the polymer molecular structure of each
was established. The LAMMPS molecular dynamics method was used to predict the
density, specific volume, free volume, enthalpy, kinetic energy, potential
energy and bond energy. The (Tg) s of the SEBS, PP and SP blends were predicted
by analysing these properties. Interestingly, the simulated values of the Tg of
SEBS, PP and their blends showed good agreement with our experimental results
obtained from dynamic mechanical analysis (DMA). This technique used in this
work can be used in studying glass transition of other complex polymer blends.
