Microphase Separation and Morphology of the Real Polymer System by Dynamic Density Functional Theory, Based on the Equation of State

Microphase separation and morphology evolution of polystyrene and polybutadiene blends are quantitatively studied by the dynamic density functional theory that is based on the equation of state (EOS-based DDFT). The structure parameters of coarse-grained beads are regressed from the experimental pressure−volume−temperature data of pure components. The comparisons between simulated and experimental results are presented as illustrations. Notably, in the region near the critical composition, the deviation of the order−disorder transition temperature between simulation and experiment is