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Scaling Laws of Bottle‐Brush Polymers in Dilute Solutions
Author(s) -
Chatterjee Debarati,
Vilgis Thomas A.
Publication year - 2016
Publication title -
macromolecular theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 56
eISSN - 1521-3919
pISSN - 1022-1344
DOI - 10.1002/mats.201600074
Subject(s) - brush , polymer , side chain , scaling , bottle , crossover , persistence length , chain (unit) , measure (data warehouse) , monomer , molecular dynamics , work (physics) , materials science , chemical physics , statistical physics , chemistry , physics , computer science , mathematics , computational chemistry , thermodynamics , composite material , geometry , astronomy , artificial intelligence , database
The structural determination and manipulation of bottle‐brush polymers, a class of polymers with serially grafted side‐chains, is challenging due to the interplay of side‐chain and backbone interactions over various length scales. The present work performs a detailed analysis, using molecular dynamics simulation techniques, to unravel these interactions by probing the distinct rod to a flexible real‐chain with self‐avoiding walk (SAW) type crossover in the backbone static structure factor. This analysis elucidates the deviation from flexible chain behavior, while also providing a quantitative measure of persistence length,l P . Significantly, the results identify a trend inl Pwhich is consistent with the debated theoretical prediction ofl P ∼ N s 15 / 8, where N s is the number of monomers in each side‐chain of the bottle‐brush polymer.
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