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  • 1
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 109 (1998), S. 8751-8754 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The first three-dimensional (3D) simulation of meso-phase formation in a specific polymer system—55% aqueous solution of the triblock polymer surfactant (EO)13(PO)30(EO)13—under simple steady shear is performed. The method is based on dynamic mean-field density functional theory. The hexagonal phase is investigated. The simulations reproduce recent experimental observations on the same polymer system. © 1998 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 110 (1999), S. 2250-2256 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The dynamic mean-field density functional method is adapted to describe phase separation in the presence of geometrical constraints. We observe that inclusion of small filler particles (such as rods) already has a dramatic effect on the morphology of polymer melts. The effect is comparable to the effect of applied simple steady shear. Mesostructures in the presence of large filler particles such as plates are totally governed by the geometry of the particle. Effects of polymer–surface interactions on morphology formation are investigated in detail. © 1999 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 108 (1998), S. 9150-9154 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The dynamic mean-field density functional method is used to describe phase separation including hydrodynamic effects in specific three-dimensional (3D) compressible copolymer liquids. We show that it is justified to use Darcy's approximation for the velocity field. This simple model enables us to reproduce both the increased domain growth and the faster removal of defects that are a result of hydrodynamics. We perform a simulation of a diblock copolymer melt to study the viscous effects in 3D. The free energy is shown to decrease twice as fast as in a simulation which only includes diffusion. The hydrodynamics are shown to become important only in the later stages of phase separation as is also predicted from theoretical analysis. The separation process proceeds faster because the growth of bulk domains is accelerated compared to the purely diffusive case. © 1998 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 115 (2001), S. 8226-8230 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The influence of confinement on morphology formation in copolymer systems is an important area of interest in theoretical research. We apply dynamic density functional theory to investigate the effect of pores on the morphology formation in a symmetric diblock copolymer system. The pore is represented by a perfect cylindrical tube. Porous systems are important in biology and are gaining interest for applications in nanotechnology. We show that for the pore sizes under investigation two equilibrium morphologies are possible depending on the surface interaction: a perpendicular or slab morphology and a parallel or multiwall tube morphology. The latter is referred to in the article as dartboard morphology. In the dynamic pathway towards this morphology an intermediate metastable helical phase is found. An important observation is that, for a wide range of pore radii and variations of polymer chain length, no mixed parallel/perpendicular morphologies were found: All observed morphologies are insensitive to the pore diameter. © 2001 American Institute of Physics.
    Type of Medium: Electronic Resource
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