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Elasticity and photoelasticity relationships for polyethylene terephthalate fiber networks by molecular simulation

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Title Elasticity and photoelasticity relationships for polyethylene terephthalate fiber networks by molecular simulation
 
Creator NAYAK, K
DAS, S
NANAVATI, H
 
Subject stress-induced crystallization
strain-induced crystallization
isomeric state simulations
non-gaussian theory
statistical segment approach
x-ray-diffraction
mechanical-properties
drawn poly(ethylene-terephthalate)
chain configurations
polymer-chains
 
Description We present a framework for the development of elasticity and photoelasticity relationships for polyethylene terephthalate fiber networks, incorporating aspects of the primary molecular structure. Semicrystalline polymeric fiber networks are modeled as sequentially arranged crystalline and amorphous regions. Rotational isomeric states-Monte Carlo simulations of amorphous chains of up to 360 bonds (degree of polymerization, DP=60), confined between and bridging infinite impenetrable crystalline walls, have been characterized by Omega, the probability density of the intercrystal separation h, and Delta beta, the polarizability anisotropy. ln Omega and Delta beta have been modeled as functions of h, yielding the chain deformation relationships. The development has been extended to the fiber network to yield the photoelasticity relationships. We execute our framework by fitting to experimental stress-elongation data and employing the single fitted parameter to directly predict the birefringence-elongation behavior, without any further fitting. Incorporating the effect of strain-induced crystallization into the framework makes it physically more meaningful and yields accurate predictions of the birefringence-elongation behavior. (c) 2008
 
Publisher AMER INST PHYSICS
 
Date 2011-07-15T16:27:10Z
2011-12-26T12:49:35Z
2011-12-27T05:34:50Z
2011-07-15T16:27:10Z
2011-12-26T12:49:35Z
2011-12-27T05:34:50Z
2008
 
Type Article
 
Identifier JOURNAL OF CHEMICAL PHYSICS, 128(1), -
0021-9606
http://dx.doi.org/10.1063/1.2806931
http://dspace.library.iitb.ac.in/xmlui/handle/10054/4326
http://hdl.handle.net/10054/4326
 
Language en