M. Muller et A. Werner, INTERFACES BETWEEN HIGHLY INCOMPATIBLE POLYMERS OF DIFFERENT STIFFNESS - MONTE-CARLO SIMULATIONS AND SELF-CONSISTENT-FIELD CALCULATIONS, The Journal of chemical physics, 107(24), 1997, pp. 10764-10776
We investigate interfacial properties between two highly incompatible
polymers of different stiffness. The extensive Monte Carlo simulations
of the binary polymer melt yield detailed interfacial profiles and th
e interfacial tension via an analysis of capillary fluctuations. We ex
tract an effective Flory-Huggins parameter from the simulations, which
is used in self-consistent field calculations. These take due account
of the chain architecture via a partial enumeration of the single cha
in partition function, using chain conformations obtained by Monte Car
lo simulations of the pure phases. The agreement between the simulatio
ns and self-consistent field calculations is almost quantitative, howe
ver, we find deviations from the predictions of the Gaussian chain mod
el for high incompatibilities or large stiffnesses. The interfacial wi
dth at very high incompatibilities is smaller than the prediction of t
he Gaussian chain model, and decreases upon increasing the statistical
segment length of the semiflexible component. (C) 1997 American Insti
tute of Physics.