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Isotropic to nematic transition in semiflexible polymer melts 

Authors: ARUN YETHIRAJ a; HERB FYNEWEVER a
Affiliation:   a Department of Chemistry, University of Wisconsin, 1101 University Avenue, Madison, WI, USA
DOI: 10.1080/00268979809482255
Publication Frequency: 24 issues per year
Published in: journal Molecular Physics, Volume 93, Issue 5 April 1998 , pages 693 - 701
Formats available: PDF (English)
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Abstract

Monte Carlo simulations are reported for the isotropic to nematic phase transition in semiflexible polymer melts. The molecules are modelled as tangent hard sphere chains with a bending energy that can be used to tune the stiffness of the chains. In the rod limit an isotropic to nematic transition occurs at high pressures. For freely-jointed chains no nematic phase is found, but a fairly sharp transition to a nematic phase is observed when the stiffness is increased at fixed density for sufficiently high densities. In semiflexible chains the isotropic to nematic transition is accompanied by a discontinuous change in the chain dimensions. The simulations show that existing theories are not quantitatively accurate for the isotropic to nematic transition in semiflexible chains.
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