Chain Orientation in Polymer Networks: Computer Simulations Using the Bond Fluctuation Model

Monte Carlo simulations of dense polymer networks under uniaxial strain were carried out using the three-dimensional bond fluctuation model. Particular attention is paid to the distribution of orientation for individual chain segments within the network and to comparison with experimental results from deuterium nuclear magnetic resonance (D-NMR). The simulated D-NMR spectrum has a split double-peak structure indicating that the segments have a …