Abstract

For the self-consistent field theory( SCFT) simulation of the phase diagrams of copolymer blends, the grand canonical ensemble and canonical ensemble need to be combined in the simulation. Through converting the variables between grand canonical ensemble and canonical ensemble,we can calculate the variables of grand canonical ensemble directly from canonical ensemble,which simplify the calculation. Here the method was applied to calculate the phase diagram of diblock copolymer( A-b-B) / homopolymer( A) blends with different molecular masses. It was found that the macrophase separation is prevented in the blends by increasing the volume fraction, fAof the block copolymer or decreasing the molecular mass of the homopolymer.

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