Theory of the crystallisation of hard polymeric chains in an orienting field

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Abstract

We apply a recently proposed density functional theory (DFT) for hard polymeric chains to study the influence of a quadrupolar orienting field on the freezing of model polymers. We find that a "disorienting" field, mimicking elongational flow, promotes crystallization, while an "orienting" field, which corresponds to longitudinal shear flow, destabilizes the crystal phase. We also investigate the relative stability of two close-packed crystal lattice types, face-centered cubic and hexagonal close-packed. Geometrical effects, such as the orientation of the field with respect to the main axes of the crystal, play an important role in stabilizing one crystal type over another.
Original languageEnglish
Pages (from-to)662-669
JournalMacromolecules
Volume37
Issue number2
DOIs
Publication statusPublished - 2004

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