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Bottom-up computational modeling of semi-crystalline fibers: from atomistic to continuum scale

Murat Cetinkaya1, Senbo Xiao, Frauke Gräter

  • 1BASF SE, Carl-Bosch Strasse 38, Ludwigshafen 67056, Germany.

Physical Chemistry Chemical Physics : PCCP
|April 13, 2011
PubMed

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Polymer Classification: Crystallinity01:21

Polymer Classification: Crystallinity

Unlike ionic or small covalent molecules, polymers do not form crystalline solids due to the diffusion limitations of their long-chain structures. However, polymers contain microscopic crystalline domains separated by amorphous domains.
Crystalline domains are the regions where polymer chains are aligned in an orderly manner and held together in proximity by intermolecular forces. For example, chains in the crystalline domains of polyethylene and nylon are bound together by van der Waals...