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Predicting the Molecular Arrangements in Polymer‐Based Nanocomposites
Author(s) -
Vacatello Michele
Publication year - 2003
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.200390000
Subject(s) - schematic , polymer , filler (materials) , monte carlo method , materials science , nanocomposite , statistical physics , polymer nanocomposite , transverse plane , polymer chemistry , polymer science , composite material , physics , mathematics , engineering , statistics , electronic engineering , structural engineering
Monte Carlo computer simulations have been performed for model polymers containing randomly distributed spherical filler particles (20% in volume) with diameter between 4 times and 28 times the transverse diameter of the chains. By analyzing the results in conjunction with those of previous simulations, a few simple rules are deduced allowing to predict approximately the molecular arrangements in these complex systems.Schematic two‐dimensional picture of the mutual arrangements of filler particles and chains predicted for system M 12 .