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Molecular simulations of the conformational properties of atactic poly(2-ethylbutyl methacrylate)
Published in
2012
Volume: 125
   
Issue: 2
Pages: 1586 - 1591
Abstract
RIS Metropolis Monte Carlo (RMMC) simulations were used to determine the unperturbed theta-state chain dimensions of atactic stereoconfigurations of poly (2-ethylbutyl methacrylate) [PEBMA]. Root mean-squared end-to-end distance (←r 2→ o/M) 1/2 and characteristic ratio (C n) were calculated along with the backbone torsion angle distribution. The simulated properties are in very good agreement with experimental results. The values of the PEBMA chain dimensions are in-between those corresponding ones for poly(n-butyl methacrylate) and poly (n-hexyl methacrylate) thereby showing the effect of branching in the side-chain. Copyright © 2012 Wiley Periodicals, Inc.
About the journal
JournalJournal of Applied Polymer Science
ISSN00218995
Open AccessNo
Concepts (16)
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    ATACTIC
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    CHAIN DIMENSIONS
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    CHARACTERISTIC RATIO
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    CONFORMATIONAL PROPERTIES
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    End-to-end distances
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    METROPOLIS MONTE CARLO
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    Molecular simulations
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    Monte carlo simulation
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    POLY(2-ETHYLBUTYL METHACRYLATE)
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    POLY(N-BUTYL METHACRYLATE) (PN-BMA)
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    Side-chains
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    TORSION-ANGLE DISTRIBUTION
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    VINYL POLYMER
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    Conformations
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    Polymers
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    Monte carlo methods