Mesoscopic Simulations of Lamellar Orientation in Block Copolymers

Mesoscopic simulation techniques are employed to investigate lamellar orientation in block copolymers subjected to oscillatory shear. Dynamic mean‐field density functional theory (MesoDyn) is able to capture parallel lamellar and perpendicular lamellar states at low and higher shear rates. At higher...

Full description

Saved in:
Bibliographic Details
Published in:Macromolecular theory and simulations 2002-02, Vol.11 (2), p.123-127
Main Authors: Ren, S. R., Hamley, I. W., Sevink, G. J. A., Zvelindovsky, A. V., Fraaije, J. G. E. M.
Format: Article
Language:English
Subjects:
Alignment
Applied sciences
Block copolymers
computer modeling
Density functional theory
Dynamics
Exact sciences and technology
lamellar
Organic polymers
Orientation
Physicochemistry of polymers
Polystyrene resins
Properties and characterization
shear
Shear rate
Simulation
Structure, morphology and analysis
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:Mesoscopic simulation techniques are employed to investigate lamellar orientation in block copolymers subjected to oscillatory shear. Dynamic mean‐field density functional theory (MesoDyn) is able to capture parallel lamellar and perpendicular lamellar states at low and higher shear rates. At higher shear rates a third orientation state is identified from cell dynamics and MesoDyn simulations, and corresponds to predominantly parallel‐aligned lamellae. This is explained on the basis of partial shear‐melting at higher shear rates. The results are compared to the lamellar alignment diagram obtained experimentally for polystyrene/polyisoprene block copolymers.
ISSN:1022-1344
1521-3919
DOI:10.1002/1521-3919(20020201)11:2<123::AID-MATS123>3.0.CO;2-M