Monte Carlo simulation of the compatibility of graft copolymer compatibilized two incompatible homopolymer blends: Effect of graft structure

Compatibility of graft copolymer compatibilized two incompatible homopolymer A and B blends was simulated by using Monte Carlo method in a two‐dimensional lattice model. The copolymers with various graft structures were introduced in order to study the effect of graft structure on the compatibility. Simulation results showed that incorporation of both A‐g‐B (A was backbone) and B‐g‐A (B was backbone) copolymers could much improve the compatibility of the blends. However, A‐g‐B copolymer was more effective to compatibilize the blend if homopolymer A formed dispersed phase. Furthermore, simulation results indicated that A‐g‐B copolymers tended to locate at the interface and anchor two immiscible components when the side chain is relatively long. However, most of A‐g‐B copolymers were likely to be dispersed into the dispersed homopolymer A phase domains if the side chains were relatively short. On the other hand, B‐g‐A copolymers tended to be dispersed into the matrix formed by homopolymer B. Moreover, it was found that more and more B‐g‐A copolymers were likely to form thin layers at the phase interface with decreasing the length of side chain.