Miscibility behavior and single chain properties in polymer blends: a bond fluctuation model study

TL;DR

This paper reviews computer simulation studies on the miscibility and single chain properties of various polymer blends, analyzing architectural effects, phase behavior, and chain dynamics using a bond fluctuation model.

Contribution

It provides a comprehensive analysis of how different architectural parameters influence miscibility and chain behavior in polymer blends through simulation and theoretical comparisons.

Findings

Phase diagrams vary with architecture and composition.

Single chain conformations depend on blend asymmetry and temperature.

Dynamics of non-entangled chains and reactive interfaces are characterized.

Abstract

Computer simulation studies on the miscibility behavior and single chain properties in binary polymer blends are reviewed. We consider blends of various architectures in order to identify important architectural parameters on a coarse grained level and study their qualitative consequences for the miscibility behavior. The phase diagram, the relation between the exchange chemical potential and the composition, and the intermolecular paircorrelation functions for symmetric blends of linear chains, blends of cyclic polymers, blends with an asymmetry in cohesive energies, blends with different chain lengths, blends with distinct monomer shapes, and blends with a stiffness disparity between the components are discussed. We investiagte the temperature and composition dependence of the single chain conformations in symmetric and asymmetric blends and compare our findings to scaling arguments and detailed SCF calculations. Two aspects of the single chain dynamics in blends are discussed: the dynamics of short non--entangled chains in a binary blend and irreversible reactions of a small fraction of reactive polymers at a strongly segregated interface. Pertinent off-lattice simulations and analytical theories are briefly discussed.