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Abstract
Molecular dynamics simulations using a generic bead-necklace model were utilized to investigate the concentration distribution of local environments in model polymer blends. The distribution of effective composition around polymer segments was investigated for different blend scenarios and bulk concentrations. Inter- and intra-molecular contributions to the effective composition are analyzed. The analysis indicates that chain connectivity has significant and non-trivial effects on the distribution of effective composition around a polymer segment. The results of this work are compared with assumptions of several theoretical models that have been commonly used to describe structural and dynamical correlations in miscible polymer blends.
Acknowledgements
D.B. acknowledges the financial support of the University of Utah Center for the Simulation of Accidental Fires and Explosions (C-SAFE), funded by the Department of Energy, Lawrence Livermore National Laboratory, under subcontract B341493.