Nm. Maurits et al., HYDRODYNAMIC EFFECTS IN 3-DIMENSIONAL MICROPHASE SEPARATION OF BLOCK-COPOLYMERS - DYNAMIC MEAN-FIELD DENSITY-FUNCTIONAL APPROACH, The Journal of chemical physics, 108(21), 1998, pp. 9150-9154
The dynamic mean-field density functional method is used to describe p
hase separation including hydrodynamic effects in specific three-dimen
sional (3D) compressible copolymer liquids. We show that it is justifi
ed to use Darcy's approximation for the velocity field. This simple mo
del enables us to reproduce both the increased domain growth and the f
aster removal of defects that are a result of hydrodynamics. We perfor
m a simulation of a diblock copolymer melt to study the viscous effect
s in 3D. The free energy is shown to decrease twice as fast as in a si
mulation which only includes diffusion. The hydrodynamics are shown to
become important only in the later stages of phase separation as is a
lso predicted from theoretical analysis. The separation process procee
ds faster because the growth of bulk domains is accelerated compared t
o the purely diffusive case. (C) 1998 American Institute of Physics. [
S0021-9606(98)51021-5].