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Polymer crystallization in the presence of "sticky" additives

DSpace at IIT Bombay

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Title Polymer crystallization in the presence of "sticky" additives
 
Creator DASMAHAPATRA, AK
NANAVATI, H
KUMARASWAMY, G
 
Subject monte-carlo simulations
condensed macromolecular systems
cooperative relaxations
secondary relaxation
collapse transition
computer-simulation
chain topology
lattice models
antiplasticization
dynamics
additives
amorphous state
crystallisation
crystallites
diffusion
monte carlo methods
polymer melts
 
Description The effect of "sticky" additives (viz., those that have attractive interactions with the polymer) on polymer crystallization, has been investigated by dynamic Monte Carlo (DMC) simulations. Additive-polymer attractive interactions result in a slowing down of the polymer chain diffusivity in the melt state. Our results show that with increasing additive stickiness, polymer crystallinity decreases monotonically, and thinner crystallites form, viz., crystallization is inhibited by the presence of sticky additives. Unusually, the observed "specific heat" peak at the phase transition shows nonmonotonic behavior with additive stickiness, and exhibits a maximum for intermediate values of additive stickiness. While the origins of this unexpected behavior are not clear, we show that it correlates with a large interchange between crystalline and amorphous states of the monomers, in the vicinity of the additives. At this intermediate additive stickiness, we also find that crystallization follows a qualitatively different route-crystallinity shows a non-Avrami-like evolution, unlike the case at low or high additive stickiness.
 
Publisher AMER INST PHYSICS
 
Date 2011-07-16T12:04:20Z
2011-12-26T12:49:45Z
2011-12-27T05:35:26Z
2011-07-16T12:04:20Z
2011-12-26T12:49:45Z
2011-12-27T05:35:26Z
2009
 
Type Article
 
Identifier JOURNAL OF CHEMICAL PHYSICS, 131(7), -
0021-9606
http://dx.doi.org/10.1063/1.3174449
http://dspace.library.iitb.ac.in/xmlui/handle/10054/4423
http://hdl.handle.net/10054/4423
 
Language en