Mean Field and Monte Carlo Modeling of Multiblock Copolymers

摘要

We compare for multiblock copolymers the results of mean field calculations with those from Monte Carlo simulations based on the bond fluctuation method and experimental results from scattering data. The application of Leibler's theory for copolymers and the results of Monte Carlo simulations indicate that the microphase separation transition occurs at larger χ~N as the number of blocks is increased beyond two (i.e., beyond diblock), and that the characteristic length scale of the emerging morphology decreases as the number of blocks increases. The latter is in qualitative agreement with published experimental results for model multiblock poly(styrene-isoprene) systems and recent results for a segmented poly (ester-urethane).