Monte Carlo Simulation of ABA Triblock Copolymer Melts Confined in a Cylindrical Nanotube

Monte Carlo simulations were used to identify the microphase morphologies of ABA triblock copolymer melts confined in a cylindrical nanotube. The influences of the volume fraction of mid‐block B (fB), the radius of nanotube (R) and the asymmetry of ABA triblock copolymer chain were discussed in deta...

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Bibliographic Details
Published in:Macromolecular theory and simulations 2007-02, Vol.16 (2), p.166-177
Main Authors: Xiao, Xingqing, Huang, Yongmin, Liu, Honglai, Hu, Ying
Format: Article
Language:English
Subjects:
ABA triblock copolymer
Applied sciences
cylindrical nanotube
Exact sciences and technology
microphase morphology
Monte Carlo simulation
Organic polymers
Physicochemistry of polymers
Properties and characterization
Structure, morphology and analysis
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Summary:Monte Carlo simulations were used to identify the microphase morphologies of ABA triblock copolymer melts confined in a cylindrical nanotube. The influences of the volume fraction of mid‐block B (fB), the radius of nanotube (R) and the asymmetry of ABA triblock copolymer chain were discussed in detail. When fB varies, a series of double‐continuous, three‐layer concentric cylinder barrel, porous net, double helixes and the new multiplex structures were observed under different conditions. In addition, the stacked disk, catenoid‐cylinder and multi‐layer concentric cylinder barrel structures occur in turns at changing R. The relation between circular lamellae period L and layer number Nlayer of concentric cylinder barrel with the increase of R was investigated to further explain the put‐off phenomenon of microphase transition of the multi‐layer concentric cylinder barrel structures. As for the increase of the asymmetry of ABA triblock copolymer chain, it was concluded that the short AI segments tend to site at the interface between rich A and B circular lamellae.
ISSN:1022-1344
1521-3919
DOI:10.1002/mats.200600064