P. Sotta et al., MONTE-CARLO SIMULATIONS OF THE ORIENTATIONAL ORDER IN A STRAINED POLYMER NETWORK - EFFECT OF DENSITY, Macromolecules, 28(21), 1995, pp. 7208-7214
Monte Carlo simulations are performed to investigate the uniaxial orde
ring of chain segments induced upon stretching a polymer network. The
polymer network is modeled by chains with fixed extremities on a cubic
lattice. Segmental interactions are introduced by imposing excluded v
olume between all segments in the system. A uniaxial contribution to o
rientation is shown to arise upon stretching even at a relatively low
fraction of occupied sites Phi. This uniaxial contribution is studied
as a function of Phi. The variation versus Phi is in agreement with th
at observed experimentally in a previous NMR work and is well describe
d by a mean field model including orientation-dependent interactions b
etween segments. It is shown additionally that a purely entropic model
, including the packing entropy of segments, gives a mean field behavi
or qualitatively similar to that observed herein.