Predicting the Molecular Arrangements in Polymer‐Based Nanocomposites

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 . image Schematic two‐dimensional picture of the mutual arrangements of filler particles and chains predicted for system M 12 .