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Mean Field and Monte Carlo Modeling of Multiblock Copolymers

Published online by Cambridge University Press:  21 March 2011

K. ø. Rasmussen
Affiliation:
Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM 87545
T. D. Sewell
Affiliation:
Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM 87545
T. Lookman
Affiliation:
Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM 87545
A. Saxena
Affiliation:
Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM 87545
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Abstract We compare for multiblock copolymers the results of mean field calculations with those from Monte Carlo simulations based on the bond uctuation method and experimental results from scattering data. The application of Leibler's [1] theory for copolymers and the results of Monte Carlo simulations indicate that the microphase separation transition occurs at larger xN 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 [2] for model multiblock poly(styrene-isoprene) systems and recent results [3] for a segmented poly(ester-urethane).

Type
Research Article
Copyright
Copyright © Materials Research Society 2001

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References

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